Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:58:23 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./HfSe3.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 42 30 8 2568 1566 244 Max 43 31 9 2575 1593 252 Sum 1517 1103 321 92565 56863 8993 bravais-lattice index = 14 lattice parameter (alat) = 7.0328 a.u. unit-cell volume = 1264.0296 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 60.00 number of Kohn-Sham states= 72 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 266.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.032804 celldm(2)= 1.447764 celldm(3)= 2.533319 celldm(4)= 0.135370 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 1.447764 0.000000 ) a(3) = ( 0.000000 0.342935 2.510000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.690720 -0.094371 ) b(3) = ( 0.000000 0.000000 0.398406 ) PseudoPot. # 1 for Hf read from file: /users/gautes/Pseudo/Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: fb4a78a955dff820df95c575f14a6778 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 1271 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 Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d 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 1211 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 Hf 12.00 178.49000 Hf( 1.00) Se 6.00 78.96000 Se( 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= 266 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037594 k( 2) = ( 0.0000000 0.0000000 0.0117178), wk = 0.0037594 k( 3) = ( 0.0000000 0.0000000 0.0234357), wk = 0.0037594 k( 4) = ( 0.0000000 0.0000000 0.0351535), wk = 0.0037594 k( 5) = ( 0.0000000 0.0000000 0.0468713), wk = 0.0037594 k( 6) = ( 0.0000000 0.0000000 0.0585892), wk = 0.0037594 k( 7) = ( 0.0000000 0.0000000 0.0703070), wk = 0.0037594 k( 8) = ( 0.0000000 0.0000000 0.0820248), wk = 0.0037594 k( 9) = ( 0.0000000 0.0000000 0.0937427), wk = 0.0037594 k( 10) = ( 0.0000000 0.0000000 0.1054605), wk = 0.0037594 k( 11) = ( 0.0000000 0.0000000 0.1171783), wk = 0.0037594 k( 12) = ( 0.0000000 0.0000000 0.1288962), wk = 0.0037594 k( 13) = ( 0.0000000 0.0000000 0.1406140), wk = 0.0037594 k( 14) = ( 0.0000000 0.0000000 0.1523318), wk = 0.0037594 k( 15) = ( 0.0000000 0.0000000 0.1640497), wk = 0.0037594 k( 16) = ( 0.0000000 0.0000000 0.1757675), wk = 0.0037594 k( 17) = ( 0.0000000 0.0000000 0.1874853), wk = 0.0037594 k( 18) = ( 0.0000000 0.0000000 0.1992032), wk = 0.0037594 k( 19) = ( 0.0000000 0.0000000 0.1992032), wk = 0.0037594 k( 20) = ( 0.0000000 0.0115925 0.1992032), wk = 0.0037594 k( 21) = ( 0.0000000 0.0231850 0.1992032), wk = 0.0037594 k( 22) = ( 0.0000000 0.0347775 0.1992032), wk = 0.0037594 k( 23) = ( 0.0000000 0.0463700 0.1992032), wk = 0.0037594 k( 24) = ( 0.0000000 0.0579626 0.1992032), wk = 0.0037594 k( 25) = ( 0.0000000 0.0695551 0.1992032), wk = 0.0037594 k( 26) = ( 0.0000000 0.0811476 0.1992032), wk = 0.0037594 k( 27) = ( 0.0000000 0.0927401 0.1992032), wk = 0.0037594 k( 28) = ( 0.0000000 0.1043326 0.1992032), wk = 0.0037594 k( 29) = ( 0.0000000 0.1159251 0.1992032), wk = 0.0037594 k( 30) = ( 0.0000000 0.1275176 0.1992032), wk = 0.0037594 k( 31) = ( 0.0000000 0.1391101 0.1992032), wk = 0.0037594 k( 32) = ( 0.0000000 0.1507026 0.1992032), wk = 0.0037594 k( 33) = ( 0.0000000 0.1622951 0.1992032), wk = 0.0037594 k( 34) = ( 0.0000000 0.1738877 0.1992032), wk = 0.0037594 k( 35) = ( 0.0000000 0.1854802 0.1992032), wk = 0.0037594 k( 36) = ( 0.0000000 0.1970727 0.1992032), wk = 0.0037594 k( 37) = ( 0.0000000 0.2086652 0.1992032), wk = 0.0037594 k( 38) = ( 0.0000000 0.2202577 0.1992032), wk = 0.0037594 k( 39) = ( 0.0000000 0.2318502 0.1992032), wk = 0.0037594 k( 40) = ( 0.0000000 0.2434427 0.1992032), wk = 0.0037594 k( 41) = ( 0.0000000 0.2550352 0.1992032), wk = 0.0037594 k( 42) = ( 0.0000000 0.2666277 0.1992032), wk = 0.0037594 k( 43) = ( 0.0000000 0.2782203 0.1992032), wk = 0.0037594 k( 44) = ( 0.0000000 0.2898128 0.1992032), wk = 0.0037594 k( 45) = ( 0.0000000 0.3014053 0.1992032), wk = 0.0037594 k( 46) = ( 0.0000000 0.3129978 0.1992032), wk = 0.0037594 k( 47) = ( 0.0000000 0.3245903 0.1992032), wk = 0.0037594 k( 48) = ( 0.0000000 0.3245903 0.1992032), wk = 0.0037594 k( 49) = ( 0.0000000 0.3287443 0.1897660), wk = 0.0037594 k( 50) = ( 0.0000000 0.3328982 0.1803289), wk = 0.0037594 k( 51) = ( 0.0000000 0.3370522 0.1708918), wk = 0.0037594 k( 52) = ( 0.0000000 0.3412061 0.1614547), wk = 0.0037594 k( 53) = ( 0.0000000 0.3453601 0.1520175), wk = 0.0037594 k( 54) = ( 0.0000000 0.3453601 0.1520175), wk = 0.0037594 k( 55) = ( 0.0116279 0.3453601 0.1520175), wk = 0.0037594 k( 56) = ( 0.0232558 0.3453601 0.1520175), wk = 0.0037594 k( 57) = ( 0.0348837 0.3453601 0.1520175), wk = 0.0037594 k( 58) = ( 0.0465116 0.3453601 0.1520175), wk = 0.0037594 k( 59) = ( 0.0581395 0.3453601 0.1520175), wk = 0.0037594 k( 60) = ( 0.0697674 0.3453601 0.1520175), wk = 0.0037594 k( 61) = ( 0.0813954 0.3453601 0.1520175), wk = 0.0037594 k( 62) = ( 0.0930233 0.3453601 0.1520175), wk = 0.0037594 k( 63) = ( 0.1046512 0.3453601 0.1520175), wk = 0.0037594 k( 64) = ( 0.1162791 0.3453601 0.1520175), wk = 0.0037594 k( 65) = ( 0.1279070 0.3453601 0.1520175), wk = 0.0037594 k( 66) = ( 0.1395349 0.3453601 0.1520175), wk = 0.0037594 k( 67) = ( 0.1511628 0.3453601 0.1520175), wk = 0.0037594 k( 68) = ( 0.1627907 0.3453601 0.1520175), wk = 0.0037594 k( 69) = ( 0.1744186 0.3453601 0.1520175), wk = 0.0037594 k( 70) = ( 0.1860465 0.3453601 0.1520175), wk = 0.0037594 k( 71) = ( 0.1976744 0.3453601 0.1520175), wk = 0.0037594 k( 72) = ( 0.2093023 0.3453601 0.1520175), wk = 0.0037594 k( 73) = ( 0.2209302 0.3453601 0.1520175), wk = 0.0037594 k( 74) = ( 0.2325581 0.3453601 0.1520175), wk = 0.0037594 k( 75) = ( 0.2441860 0.3453601 0.1520175), wk = 0.0037594 k( 76) = ( 0.2558140 0.3453601 0.1520175), wk = 0.0037594 k( 77) = ( 0.2674419 0.3453601 0.1520175), wk = 0.0037594 k( 78) = ( 0.2790698 0.3453601 0.1520175), wk = 0.0037594 k( 79) = ( 0.2906977 0.3453601 0.1520175), wk = 0.0037594 k( 80) = ( 0.3023256 0.3453601 0.1520175), wk = 0.0037594 k( 81) = ( 0.3139535 0.3453601 0.1520175), wk = 0.0037594 k( 82) = ( 0.3255814 0.3453601 0.1520175), wk = 0.0037594 k( 83) = ( 0.3372093 0.3453601 0.1520175), wk = 0.0037594 k( 84) = ( 0.3488372 0.3453601 0.1520175), wk = 0.0037594 k( 85) = ( 0.3604651 0.3453601 0.1520175), wk = 0.0037594 k( 86) = ( 0.3720930 0.3453601 0.1520175), wk = 0.0037594 k( 87) = ( 0.3837209 0.3453601 0.1520175), wk = 0.0037594 k( 88) = ( 0.3953488 0.3453601 0.1520175), wk = 0.0037594 k( 89) = ( 0.4069767 0.3453601 0.1520175), wk = 0.0037594 k( 90) = ( 0.4186047 0.3453601 0.1520175), wk = 0.0037594 k( 91) = ( 0.4302326 0.3453601 0.1520175), wk = 0.0037594 k( 92) = ( 0.4418605 0.3453601 0.1520175), wk = 0.0037594 k( 93) = ( 0.4534884 0.3453601 0.1520175), wk = 0.0037594 k( 94) = ( 0.4651163 0.3453601 0.1520175), wk = 0.0037594 k( 95) = ( 0.4767442 0.3453601 0.1520175), wk = 0.0037594 k( 96) = ( 0.4883721 0.3453601 0.1520175), wk = 0.0037594 k( 97) = ( 0.5000000 0.3453601 0.1520175), wk = 0.0037594 k( 98) = ( 0.5000000 0.3453601 0.1520175), wk = 0.0037594 k( 99) = ( 0.5000000 0.3495140 0.1425804), wk = 0.0037594 k( 100) = ( 0.5000000 0.3536680 0.1331433), wk = 0.0037594 k( 101) = ( 0.5000000 0.3578219 0.1237062), wk = 0.0037594 k( 102) = ( 0.5000000 0.3619759 0.1142690), wk = 0.0037594 k( 103) = ( 0.5000000 0.3661298 0.1048319), wk = 0.0037594 k( 104) = ( 0.5000000 0.3661298 0.1048319), wk = 0.0037594 k( 105) = ( 0.5000000 0.3645321 0.0931382), wk = 0.0037594 k( 106) = ( 0.5000000 0.3629345 0.0814446), wk = 0.0037594 k( 107) = ( 0.5000000 0.3613368 0.0697509), wk = 0.0037594 k( 108) = ( 0.5000000 0.3597391 0.0580573), wk = 0.0037594 k( 109) = ( 0.5000000 0.3581414 0.0463636), wk = 0.0037594 k( 110) = ( 0.5000000 0.3565438 0.0346700), wk = 0.0037594 k( 111) = ( 0.5000000 0.3549461 0.0229763), wk = 0.0037594 k( 112) = ( 0.5000000 0.3533484 0.0112826), wk = 0.0037594 k( 113) = ( 0.5000000 0.3517508 -0.0004110), wk = 0.0037594 k( 114) = ( 0.5000000 0.3501531 -0.0121047), wk = 0.0037594 k( 115) = ( 0.5000000 0.3485554 -0.0237983), wk = 0.0037594 k( 116) = ( 0.5000000 0.3469577 -0.0354920), wk = 0.0037594 k( 117) = ( 0.5000000 0.3453601 -0.0471856), wk = 0.0037594 k( 118) = ( 0.5000000 0.3453601 -0.0471856), wk = 0.0037594 k( 119) = ( 0.4883721 0.3453601 -0.0471856), wk = 0.0037594 k( 120) = ( 0.4767442 0.3453601 -0.0471856), wk = 0.0037594 k( 121) = ( 0.4651163 0.3453601 -0.0471856), wk = 0.0037594 k( 122) = ( 0.4534884 0.3453601 -0.0471856), wk = 0.0037594 k( 123) = ( 0.4418605 0.3453601 -0.0471856), wk = 0.0037594 k( 124) = ( 0.4302326 0.3453601 -0.0471856), wk = 0.0037594 k( 125) = ( 0.4186047 0.3453601 -0.0471856), wk = 0.0037594 k( 126) = ( 0.4069767 0.3453601 -0.0471856), wk = 0.0037594 k( 127) = ( 0.3953488 0.3453601 -0.0471856), wk = 0.0037594 k( 128) = ( 0.3837209 0.3453601 -0.0471856), wk = 0.0037594 k( 129) = ( 0.3720930 0.3453601 -0.0471856), wk = 0.0037594 k( 130) = ( 0.3604651 0.3453601 -0.0471856), wk = 0.0037594 k( 131) = ( 0.3488372 0.3453601 -0.0471856), wk = 0.0037594 k( 132) = ( 0.3372093 0.3453601 -0.0471856), wk = 0.0037594 k( 133) = ( 0.3255814 0.3453601 -0.0471856), wk = 0.0037594 k( 134) = ( 0.3139535 0.3453601 -0.0471856), wk = 0.0037594 k( 135) = ( 0.3023256 0.3453601 -0.0471856), wk = 0.0037594 k( 136) = ( 0.2906977 0.3453601 -0.0471856), wk = 0.0037594 k( 137) = ( 0.2790698 0.3453601 -0.0471856), wk = 0.0037594 k( 138) = ( 0.2674419 0.3453601 -0.0471856), wk = 0.0037594 k( 139) = ( 0.2558140 0.3453601 -0.0471856), wk = 0.0037594 k( 140) = ( 0.2441860 0.3453601 -0.0471856), wk = 0.0037594 k( 141) = ( 0.2325581 0.3453601 -0.0471856), wk = 0.0037594 k( 142) = ( 0.2209302 0.3453601 -0.0471856), wk = 0.0037594 k( 143) = ( 0.2093023 0.3453601 -0.0471856), wk = 0.0037594 k( 144) = ( 0.1976744 0.3453601 -0.0471856), wk = 0.0037594 k( 145) = ( 0.1860465 0.3453601 -0.0471856), wk = 0.0037594 k( 146) = ( 0.1744186 0.3453601 -0.0471856), wk = 0.0037594 k( 147) = ( 0.1627907 0.3453601 -0.0471856), wk = 0.0037594 k( 148) = ( 0.1511628 0.3453601 -0.0471856), wk = 0.0037594 k( 149) = ( 0.1395349 0.3453601 -0.0471856), wk = 0.0037594 k( 150) = ( 0.1279070 0.3453601 -0.0471856), wk = 0.0037594 k( 151) = ( 0.1162791 0.3453601 -0.0471856), wk = 0.0037594 k( 152) = ( 0.1046512 0.3453601 -0.0471856), wk = 0.0037594 k( 153) = ( 0.0930233 0.3453601 -0.0471856), wk = 0.0037594 k( 154) = ( 0.0813954 0.3453601 -0.0471856), wk = 0.0037594 k( 155) = ( 0.0697674 0.3453601 -0.0471856), wk = 0.0037594 k( 156) = ( 0.0581395 0.3453601 -0.0471856), wk = 0.0037594 k( 157) = ( 0.0465116 0.3453601 -0.0471856), wk = 0.0037594 k( 158) = ( 0.0348837 0.3453601 -0.0471856), wk = 0.0037594 k( 159) = ( 0.0232558 0.3453601 -0.0471856), wk = 0.0037594 k( 160) = ( 0.0116279 0.3453601 -0.0471856), wk = 0.0037594 k( 161) = ( 0.0000000 0.3453601 -0.0471856), wk = 0.0037594 k( 162) = ( 0.0000000 0.3453601 -0.0471856), wk = 0.0037594 k( 163) = ( 0.0000000 0.3469577 -0.0354920), wk = 0.0037594 k( 164) = ( 0.0000000 0.3485554 -0.0237983), wk = 0.0037594 k( 165) = ( 0.0000000 0.3501531 -0.0121047), wk = 0.0037594 k( 166) = ( 0.0000000 0.3517508 -0.0004110), wk = 0.0037594 k( 167) = ( 0.0000000 0.3533484 0.0112826), wk = 0.0037594 k( 168) = ( 0.0000000 0.3549461 0.0229763), wk = 0.0037594 k( 169) = ( 0.0000000 0.3565438 0.0346700), wk = 0.0037594 k( 170) = ( 0.0000000 0.3581414 0.0463636), wk = 0.0037594 k( 171) = ( 0.0000000 0.3597391 0.0580573), wk = 0.0037594 k( 172) = ( 0.0000000 0.3613368 0.0697509), wk = 0.0037594 k( 173) = ( 0.0000000 0.3629345 0.0814446), wk = 0.0037594 k( 174) = ( 0.0000000 0.3645321 0.0931382), wk = 0.0037594 k( 175) = ( 0.0000000 0.3661298 0.1048319), wk = 0.0037594 k( 176) = ( 0.5000000 0.3245903 0.1992032), wk = 0.0037594 k( 177) = ( 0.5000000 0.3129978 0.1992032), wk = 0.0037594 k( 178) = ( 0.5000000 0.3014053 0.1992032), wk = 0.0037594 k( 179) = ( 0.5000000 0.2898128 0.1992032), wk = 0.0037594 k( 180) = ( 0.5000000 0.2782203 0.1992032), wk = 0.0037594 k( 181) = ( 0.5000000 0.2666277 0.1992032), wk = 0.0037594 k( 182) = ( 0.5000000 0.2550352 0.1992032), wk = 0.0037594 k( 183) = ( 0.5000000 0.2434427 0.1992032), wk = 0.0037594 k( 184) = ( 0.5000000 0.2318502 0.1992032), wk = 0.0037594 k( 185) = ( 0.5000000 0.2202577 0.1992032), wk = 0.0037594 k( 186) = ( 0.5000000 0.2086652 0.1992032), wk = 0.0037594 k( 187) = ( 0.5000000 0.1970727 0.1992032), wk = 0.0037594 k( 188) = ( 0.5000000 0.1854802 0.1992032), wk = 0.0037594 k( 189) = ( 0.5000000 0.1738877 0.1992032), wk = 0.0037594 k( 190) = ( 0.5000000 0.1622951 0.1992032), wk = 0.0037594 k( 191) = ( 0.5000000 0.1507026 0.1992032), wk = 0.0037594 k( 192) = ( 0.5000000 0.1391101 0.1992032), wk = 0.0037594 k( 193) = ( 0.5000000 0.1275176 0.1992032), wk = 0.0037594 k( 194) = ( 0.5000000 0.1159251 0.1992032), wk = 0.0037594 k( 195) = ( 0.5000000 0.1043326 0.1992032), wk = 0.0037594 k( 196) = ( 0.5000000 0.0927401 0.1992032), wk = 0.0037594 k( 197) = ( 0.5000000 0.0811476 0.1992032), wk = 0.0037594 k( 198) = ( 0.5000000 0.0695551 0.1992032), wk = 0.0037594 k( 199) = ( 0.5000000 0.0579626 0.1992032), wk = 0.0037594 k( 200) = ( 0.5000000 0.0463700 0.1992032), wk = 0.0037594 k( 201) = ( 0.5000000 0.0347775 0.1992032), wk = 0.0037594 k( 202) = ( 0.5000000 0.0231850 0.1992032), wk = 0.0037594 k( 203) = ( 0.5000000 0.0115925 0.1992032), wk = 0.0037594 k( 204) = ( 0.5000000 -0.0000000 0.1992032), wk = 0.0037594 k( 205) = ( 0.5000000 -0.0000000 0.1992032), wk = 0.0037594 k( 206) = ( 0.5000000 -0.0000000 0.1874853), wk = 0.0037594 k( 207) = ( 0.5000000 -0.0000000 0.1757675), wk = 0.0037594 k( 208) = ( 0.5000000 -0.0000000 0.1640497), wk = 0.0037594 k( 209) = ( 0.5000000 -0.0000000 0.1523318), wk = 0.0037594 k( 210) = ( 0.5000000 -0.0000000 0.1406140), wk = 0.0037594 k( 211) = ( 0.5000000 -0.0000000 0.1288962), wk = 0.0037594 k( 212) = ( 0.5000000 -0.0000000 0.1171783), wk = 0.0037594 k( 213) = ( 0.5000000 -0.0000000 0.1054605), wk = 0.0037594 k( 214) = ( 0.5000000 -0.0000000 0.0937427), wk = 0.0037594 k( 215) = ( 0.5000000 -0.0000000 0.0820248), wk = 0.0037594 k( 216) = ( 0.5000000 -0.0000000 0.0703070), wk = 0.0037594 k( 217) = ( 0.5000000 -0.0000000 0.0585892), wk = 0.0037594 k( 218) = ( 0.5000000 -0.0000000 0.0468713), wk = 0.0037594 k( 219) = ( 0.5000000 -0.0000000 0.0351535), wk = 0.0037594 k( 220) = ( 0.5000000 -0.0000000 0.0234357), wk = 0.0037594 k( 221) = ( 0.5000000 -0.0000000 0.0117178), wk = 0.0037594 k( 222) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0037594 k( 223) = ( 0.0000000 0.0000000 0.1992032), wk = 0.0037594 k( 224) = ( 0.0116279 -0.0000000 0.1992032), wk = 0.0037594 k( 225) = ( 0.0232558 -0.0000000 0.1992032), wk = 0.0037594 k( 226) = ( 0.0348837 -0.0000000 0.1992032), wk = 0.0037594 k( 227) = ( 0.0465116 -0.0000000 0.1992032), wk = 0.0037594 k( 228) = ( 0.0581395 -0.0000000 0.1992032), wk = 0.0037594 k( 229) = ( 0.0697674 -0.0000000 0.1992032), wk = 0.0037594 k( 230) = ( 0.0813954 -0.0000000 0.1992032), wk = 0.0037594 k( 231) = ( 0.0930233 -0.0000000 0.1992032), wk = 0.0037594 k( 232) = ( 0.1046512 -0.0000000 0.1992032), wk = 0.0037594 k( 233) = ( 0.1162791 -0.0000000 0.1992032), wk = 0.0037594 k( 234) = ( 0.1279070 -0.0000000 0.1992032), wk = 0.0037594 k( 235) = ( 0.1395349 -0.0000000 0.1992032), wk = 0.0037594 k( 236) = ( 0.1511628 -0.0000000 0.1992032), wk = 0.0037594 k( 237) = ( 0.1627907 -0.0000000 0.1992032), wk = 0.0037594 k( 238) = ( 0.1744186 -0.0000000 0.1992032), wk = 0.0037594 k( 239) = ( 0.1860465 -0.0000000 0.1992032), wk = 0.0037594 k( 240) = ( 0.1976744 -0.0000000 0.1992032), wk = 0.0037594 k( 241) = ( 0.2093023 -0.0000000 0.1992032), wk = 0.0037594 k( 242) = ( 0.2209302 -0.0000000 0.1992032), wk = 0.0037594 k( 243) = ( 0.2325581 -0.0000000 0.1992032), wk = 0.0037594 k( 244) = ( 0.2441860 -0.0000000 0.1992032), wk = 0.0037594 k( 245) = ( 0.2558140 -0.0000000 0.1992032), wk = 0.0037594 k( 246) = ( 0.2674419 -0.0000000 0.1992032), wk = 0.0037594 k( 247) = ( 0.2790698 -0.0000000 0.1992032), wk = 0.0037594 k( 248) = ( 0.2906977 -0.0000000 0.1992032), wk = 0.0037594 k( 249) = ( 0.3023256 -0.0000000 0.1992032), wk = 0.0037594 k( 250) = ( 0.3139535 -0.0000000 0.1992032), wk = 0.0037594 k( 251) = ( 0.3255814 -0.0000000 0.1992032), wk = 0.0037594 k( 252) = ( 0.3372093 -0.0000000 0.1992032), wk = 0.0037594 k( 253) = ( 0.3488372 -0.0000000 0.1992032), wk = 0.0037594 k( 254) = ( 0.3604651 -0.0000000 0.1992032), wk = 0.0037594 k( 255) = ( 0.3720930 -0.0000000 0.1992032), wk = 0.0037594 k( 256) = ( 0.3837209 -0.0000000 0.1992032), wk = 0.0037594 k( 257) = ( 0.3953488 -0.0000000 0.1992032), wk = 0.0037594 k( 258) = ( 0.4069767 -0.0000000 0.1992032), wk = 0.0037594 k( 259) = ( 0.4186047 -0.0000000 0.1992032), wk = 0.0037594 k( 260) = ( 0.4302326 -0.0000000 0.1992032), wk = 0.0037594 k( 261) = ( 0.4418605 -0.0000000 0.1992032), wk = 0.0037594 k( 262) = ( 0.4534884 -0.0000000 0.1992032), wk = 0.0037594 k( 263) = ( 0.4651163 -0.0000000 0.1992032), wk = 0.0037594 k( 264) = ( 0.4767442 -0.0000000 0.1992032), wk = 0.0037594 k( 265) = ( 0.4883721 -0.0000000 0.1992032), wk = 0.0037594 k( 266) = ( 0.5000000 -0.0000000 0.1992032), wk = 0.0037594 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037594 k( 2) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0037594 k( 3) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0037594 k( 4) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0037594 k( 5) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0037594 k( 6) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0037594 k( 7) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0037594 k( 8) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0037594 k( 9) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0037594 k( 10) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0037594 k( 11) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0037594 k( 12) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0037594 k( 13) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0037594 k( 14) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0037594 k( 15) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0037594 k( 16) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0037594 k( 17) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0037594 k( 18) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037594 k( 19) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037594 k( 20) = ( 0.0000000 0.0167832 0.5039755), wk = 0.0037594 k( 21) = ( 0.0000000 0.0335665 0.5079510), wk = 0.0037594 k( 22) = ( 0.0000000 0.0503497 0.5119264), wk = 0.0037594 k( 23) = ( 0.0000000 0.0671329 0.5159019), wk = 0.0037594 k( 24) = ( 0.0000000 0.0839161 0.5198774), wk = 0.0037594 k( 25) = ( 0.0000000 0.1006994 0.5238529), wk = 0.0037594 k( 26) = ( 0.0000000 0.1174826 0.5278283), wk = 0.0037594 k( 27) = ( 0.0000000 0.1342658 0.5318038), wk = 0.0037594 k( 28) = ( 0.0000000 0.1510490 0.5357793), wk = 0.0037594 k( 29) = ( 0.0000000 0.1678322 0.5397547), wk = 0.0037594 k( 30) = ( 0.0000000 0.1846155 0.5437302), wk = 0.0037594 k( 31) = ( 0.0000000 0.2013987 0.5477057), wk = 0.0037594 k( 32) = ( 0.0000000 0.2181819 0.5516812), wk = 0.0037594 k( 33) = ( 0.0000000 0.2349651 0.5556566), wk = 0.0037594 k( 34) = ( 0.0000000 0.2517484 0.5596321), wk = 0.0037594 k( 35) = ( 0.0000000 0.2685316 0.5636076), wk = 0.0037594 k( 36) = ( 0.0000000 0.2853148 0.5675831), wk = 0.0037594 k( 37) = ( 0.0000000 0.3020980 0.5715585), wk = 0.0037594 k( 38) = ( 0.0000000 0.3188813 0.5755340), wk = 0.0037594 k( 39) = ( 0.0000000 0.3356645 0.5795095), wk = 0.0037594 k( 40) = ( 0.0000000 0.3524477 0.5834850), wk = 0.0037594 k( 41) = ( 0.0000000 0.3692309 0.5874604), wk = 0.0037594 k( 42) = ( 0.0000000 0.3860142 0.5914359), wk = 0.0037594 k( 43) = ( 0.0000000 0.4027974 0.5954114), wk = 0.0037594 k( 44) = ( 0.0000000 0.4195806 0.5993869), wk = 0.0037594 k( 45) = ( 0.0000000 0.4363638 0.6033623), wk = 0.0037594 k( 46) = ( 0.0000000 0.4531471 0.6073378), wk = 0.0037594 k( 47) = ( 0.0000000 0.4699303 0.6113133), wk = 0.0037594 k( 48) = ( 0.0000000 0.4699303 0.6113133), wk = 0.0037594 k( 49) = ( 0.0000000 0.4759442 0.5890506), wk = 0.0037594 k( 50) = ( 0.0000000 0.4819582 0.5667880), wk = 0.0037594 k( 51) = ( 0.0000000 0.4879721 0.5445253), wk = 0.0037594 k( 52) = ( 0.0000000 0.4939861 0.5222627), wk = 0.0037594 k( 53) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0037594 k( 54) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0037594 k( 55) = ( 0.0116279 0.5000000 0.5000000), wk = 0.0037594 k( 56) = ( 0.0232558 0.5000000 0.5000000), wk = 0.0037594 k( 57) = ( 0.0348837 0.5000000 0.5000000), wk = 0.0037594 k( 58) = ( 0.0465116 0.5000000 0.5000000), wk = 0.0037594 k( 59) = ( 0.0581395 0.5000000 0.5000000), wk = 0.0037594 k( 60) = ( 0.0697674 0.5000000 0.5000000), wk = 0.0037594 k( 61) = ( 0.0813954 0.5000000 0.5000000), wk = 0.0037594 k( 62) = ( 0.0930233 0.5000000 0.5000000), wk = 0.0037594 k( 63) = ( 0.1046512 0.5000000 0.5000000), wk = 0.0037594 k( 64) = ( 0.1162791 0.5000000 0.5000000), wk = 0.0037594 k( 65) = ( 0.1279070 0.5000000 0.5000000), wk = 0.0037594 k( 66) = ( 0.1395349 0.5000000 0.5000000), wk = 0.0037594 k( 67) = ( 0.1511628 0.5000000 0.5000000), wk = 0.0037594 k( 68) = ( 0.1627907 0.5000000 0.5000000), wk = 0.0037594 k( 69) = ( 0.1744186 0.5000000 0.5000000), wk = 0.0037594 k( 70) = ( 0.1860465 0.5000000 0.5000000), wk = 0.0037594 k( 71) = ( 0.1976744 0.5000000 0.5000000), wk = 0.0037594 k( 72) = ( 0.2093023 0.5000000 0.5000000), wk = 0.0037594 k( 73) = ( 0.2209302 0.5000000 0.5000000), wk = 0.0037594 k( 74) = ( 0.2325581 0.5000000 0.5000000), wk = 0.0037594 k( 75) = ( 0.2441860 0.5000000 0.5000000), wk = 0.0037594 k( 76) = ( 0.2558140 0.5000000 0.5000000), wk = 0.0037594 k( 77) = ( 0.2674419 0.5000000 0.5000000), wk = 0.0037594 k( 78) = ( 0.2790698 0.5000000 0.5000000), wk = 0.0037594 k( 79) = ( 0.2906977 0.5000000 0.5000000), wk = 0.0037594 k( 80) = ( 0.3023256 0.5000000 0.5000000), wk = 0.0037594 k( 81) = ( 0.3139535 0.5000000 0.5000000), wk = 0.0037594 k( 82) = ( 0.3255814 0.5000000 0.5000000), wk = 0.0037594 k( 83) = ( 0.3372093 0.5000000 0.5000000), wk = 0.0037594 k( 84) = ( 0.3488372 0.5000000 0.5000000), wk = 0.0037594 k( 85) = ( 0.3604651 0.5000000 0.5000000), wk = 0.0037594 k( 86) = ( 0.3720930 0.5000000 0.5000000), wk = 0.0037594 k( 87) = ( 0.3837209 0.5000000 0.5000000), wk = 0.0037594 k( 88) = ( 0.3953488 0.5000000 0.5000000), wk = 0.0037594 k( 89) = ( 0.4069767 0.5000000 0.5000000), wk = 0.0037594 k( 90) = ( 0.4186047 0.5000000 0.5000000), wk = 0.0037594 k( 91) = ( 0.4302326 0.5000000 0.5000000), wk = 0.0037594 k( 92) = ( 0.4418605 0.5000000 0.5000000), wk = 0.0037594 k( 93) = ( 0.4534884 0.5000000 0.5000000), wk = 0.0037594 k( 94) = ( 0.4651163 0.5000000 0.5000000), wk = 0.0037594 k( 95) = ( 0.4767442 0.5000000 0.5000000), wk = 0.0037594 k( 96) = ( 0.4883721 0.5000000 0.5000000), wk = 0.0037594 k( 97) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037594 k( 98) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037594 k( 99) = ( 0.5000000 0.5060139 0.4777373), wk = 0.0037594 k( 100) = ( 0.5000000 0.5120279 0.4554747), wk = 0.0037594 k( 101) = ( 0.5000000 0.5180418 0.4332120), wk = 0.0037594 k( 102) = ( 0.5000000 0.5240558 0.4109494), wk = 0.0037594 k( 103) = ( 0.5000000 0.5300697 0.3886867), wk = 0.0037594 k( 104) = ( 0.5000000 0.5300697 0.3886867), wk = 0.0037594 k( 105) = ( 0.5000000 0.5277567 0.3587877), wk = 0.0037594 k( 106) = ( 0.5000000 0.5254436 0.3288888), wk = 0.0037594 k( 107) = ( 0.5000000 0.5231305 0.2989898), wk = 0.0037594 k( 108) = ( 0.5000000 0.5208175 0.2690908), wk = 0.0037594 k( 109) = ( 0.5000000 0.5185044 0.2391918), wk = 0.0037594 k( 110) = ( 0.5000000 0.5161914 0.2092929), wk = 0.0037594 k( 111) = ( 0.5000000 0.5138783 0.1793939), wk = 0.0037594 k( 112) = ( 0.5000000 0.5115653 0.1494949), wk = 0.0037594 k( 113) = ( 0.5000000 0.5092522 0.1195959), wk = 0.0037594 k( 114) = ( 0.5000000 0.5069392 0.0896969), wk = 0.0037594 k( 115) = ( 0.5000000 0.5046261 0.0597980), wk = 0.0037594 k( 116) = ( 0.5000000 0.5023131 0.0298990), wk = 0.0037594 k( 117) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0037594 k( 118) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0037594 k( 119) = ( 0.4883721 0.5000000 0.0000000), wk = 0.0037594 k( 120) = ( 0.4767442 0.5000000 0.0000000), wk = 0.0037594 k( 121) = ( 0.4651163 0.5000000 -0.0000000), wk = 0.0037594 k( 122) = ( 0.4534884 0.5000000 -0.0000000), wk = 0.0037594 k( 123) = ( 0.4418605 0.5000000 -0.0000000), wk = 0.0037594 k( 124) = ( 0.4302326 0.5000000 0.0000000), wk = 0.0037594 k( 125) = ( 0.4186047 0.5000000 0.0000000), wk = 0.0037594 k( 126) = ( 0.4069767 0.5000000 -0.0000000), wk = 0.0037594 k( 127) = ( 0.3953488 0.5000000 -0.0000000), wk = 0.0037594 k( 128) = ( 0.3837209 0.5000000 -0.0000000), wk = 0.0037594 k( 129) = ( 0.3720930 0.5000000 -0.0000000), wk = 0.0037594 k( 130) = ( 0.3604651 0.5000000 -0.0000000), wk = 0.0037594 k( 131) = ( 0.3488372 0.5000000 0.0000000), wk = 0.0037594 k( 132) = ( 0.3372093 0.5000000 0.0000000), wk = 0.0037594 k( 133) = ( 0.3255814 0.5000000 0.0000000), wk = 0.0037594 k( 134) = ( 0.3139535 0.5000000 0.0000000), wk = 0.0037594 k( 135) = ( 0.3023256 0.5000000 0.0000000), wk = 0.0037594 k( 136) = ( 0.2906977 0.5000000 -0.0000000), wk = 0.0037594 k( 137) = ( 0.2790698 0.5000000 -0.0000000), wk = 0.0037594 k( 138) = ( 0.2674419 0.5000000 0.0000000), wk = 0.0037594 k( 139) = ( 0.2558140 0.5000000 0.0000000), wk = 0.0037594 k( 140) = ( 0.2441860 0.5000000 0.0000000), wk = 0.0037594 k( 141) = ( 0.2325581 0.5000000 0.0000000), wk = 0.0037594 k( 142) = ( 0.2209302 0.5000000 0.0000000), wk = 0.0037594 k( 143) = ( 0.2093023 0.5000000 0.0000000), wk = 0.0037594 k( 144) = ( 0.1976744 0.5000000 0.0000000), wk = 0.0037594 k( 145) = ( 0.1860465 0.5000000 0.0000000), wk = 0.0037594 k( 146) = ( 0.1744186 0.5000000 0.0000000), wk = 0.0037594 k( 147) = ( 0.1627907 0.5000000 0.0000000), wk = 0.0037594 k( 148) = ( 0.1511628 0.5000000 0.0000000), wk = 0.0037594 k( 149) = ( 0.1395349 0.5000000 0.0000000), wk = 0.0037594 k( 150) = ( 0.1279070 0.5000000 0.0000000), wk = 0.0037594 k( 151) = ( 0.1162791 0.5000000 0.0000000), wk = 0.0037594 k( 152) = ( 0.1046512 0.5000000 0.0000000), wk = 0.0037594 k( 153) = ( 0.0930233 0.5000000 0.0000000), wk = 0.0037594 k( 154) = ( 0.0813954 0.5000000 0.0000000), wk = 0.0037594 k( 155) = ( 0.0697674 0.5000000 0.0000000), wk = 0.0037594 k( 156) = ( 0.0581395 0.5000000 0.0000000), wk = 0.0037594 k( 157) = ( 0.0465116 0.5000000 0.0000000), wk = 0.0037594 k( 158) = ( 0.0348837 0.5000000 0.0000000), wk = 0.0037594 k( 159) = ( 0.0232558 0.5000000 0.0000000), wk = 0.0037594 k( 160) = ( 0.0116279 0.5000000 0.0000000), wk = 0.0037594 k( 161) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0037594 k( 162) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0037594 k( 163) = ( 0.0000000 0.5023131 0.0298990), wk = 0.0037594 k( 164) = ( 0.0000000 0.5046261 0.0597980), wk = 0.0037594 k( 165) = ( 0.0000000 0.5069392 0.0896969), wk = 0.0037594 k( 166) = ( 0.0000000 0.5092522 0.1195959), wk = 0.0037594 k( 167) = ( 0.0000000 0.5115653 0.1494949), wk = 0.0037594 k( 168) = ( 0.0000000 0.5138783 0.1793939), wk = 0.0037594 k( 169) = ( 0.0000000 0.5161914 0.2092929), wk = 0.0037594 k( 170) = ( 0.0000000 0.5185044 0.2391918), wk = 0.0037594 k( 171) = ( 0.0000000 0.5208175 0.2690908), wk = 0.0037594 k( 172) = ( 0.0000000 0.5231305 0.2989898), wk = 0.0037594 k( 173) = ( 0.0000000 0.5254436 0.3288888), wk = 0.0037594 k( 174) = ( 0.0000000 0.5277567 0.3587877), wk = 0.0037594 k( 175) = ( 0.0000000 0.5300697 0.3886867), wk = 0.0037594 k( 176) = ( 0.5000000 0.4699303 0.6113133), wk = 0.0037594 k( 177) = ( 0.5000000 0.4531471 0.6073378), wk = 0.0037594 k( 178) = ( 0.5000000 0.4363638 0.6033623), wk = 0.0037594 k( 179) = ( 0.5000000 0.4195806 0.5993869), wk = 0.0037594 k( 180) = ( 0.5000000 0.4027974 0.5954114), wk = 0.0037594 k( 181) = ( 0.5000000 0.3860142 0.5914359), wk = 0.0037594 k( 182) = ( 0.5000000 0.3692309 0.5874604), wk = 0.0037594 k( 183) = ( 0.5000000 0.3524477 0.5834850), wk = 0.0037594 k( 184) = ( 0.5000000 0.3356645 0.5795095), wk = 0.0037594 k( 185) = ( 0.5000000 0.3188813 0.5755340), wk = 0.0037594 k( 186) = ( 0.5000000 0.3020980 0.5715585), wk = 0.0037594 k( 187) = ( 0.5000000 0.2853148 0.5675831), wk = 0.0037594 k( 188) = ( 0.5000000 0.2685316 0.5636076), wk = 0.0037594 k( 189) = ( 0.5000000 0.2517484 0.5596321), wk = 0.0037594 k( 190) = ( 0.5000000 0.2349651 0.5556566), wk = 0.0037594 k( 191) = ( 0.5000000 0.2181819 0.5516812), wk = 0.0037594 k( 192) = ( 0.5000000 0.2013987 0.5477057), wk = 0.0037594 k( 193) = ( 0.5000000 0.1846155 0.5437302), wk = 0.0037594 k( 194) = ( 0.5000000 0.1678322 0.5397547), wk = 0.0037594 k( 195) = ( 0.5000000 0.1510490 0.5357793), wk = 0.0037594 k( 196) = ( 0.5000000 0.1342658 0.5318038), wk = 0.0037594 k( 197) = ( 0.5000000 0.1174826 0.5278283), wk = 0.0037594 k( 198) = ( 0.5000000 0.1006994 0.5238529), wk = 0.0037594 k( 199) = ( 0.5000000 0.0839161 0.5198774), wk = 0.0037594 k( 200) = ( 0.5000000 0.0671329 0.5159019), wk = 0.0037594 k( 201) = ( 0.5000000 0.0503497 0.5119264), wk = 0.0037594 k( 202) = ( 0.5000000 0.0335664 0.5079510), wk = 0.0037594 k( 203) = ( 0.5000000 0.0167832 0.5039755), wk = 0.0037594 k( 204) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0037594 k( 205) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0037594 k( 206) = ( 0.5000000 0.0000000 0.4705882), wk = 0.0037594 k( 207) = ( 0.5000000 0.0000000 0.4411765), wk = 0.0037594 k( 208) = ( 0.5000000 0.0000000 0.4117647), wk = 0.0037594 k( 209) = ( 0.5000000 0.0000000 0.3823529), wk = 0.0037594 k( 210) = ( 0.5000000 0.0000000 0.3529412), wk = 0.0037594 k( 211) = ( 0.5000000 0.0000000 0.3235294), wk = 0.0037594 k( 212) = ( 0.5000000 0.0000000 0.2941177), wk = 0.0037594 k( 213) = ( 0.5000000 0.0000000 0.2647059), wk = 0.0037594 k( 214) = ( 0.5000000 0.0000000 0.2352941), wk = 0.0037594 k( 215) = ( 0.5000000 0.0000000 0.2058823), wk = 0.0037594 k( 216) = ( 0.5000000 0.0000000 0.1764706), wk = 0.0037594 k( 217) = ( 0.5000000 0.0000000 0.1470588), wk = 0.0037594 k( 218) = ( 0.5000000 0.0000000 0.1176471), wk = 0.0037594 k( 219) = ( 0.5000000 0.0000000 0.0882353), wk = 0.0037594 k( 220) = ( 0.5000000 0.0000000 0.0588235), wk = 0.0037594 k( 221) = ( 0.5000000 0.0000000 0.0294118), wk = 0.0037594 k( 222) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0037594 k( 223) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037594 k( 224) = ( 0.0116279 -0.0000000 0.5000000), wk = 0.0037594 k( 225) = ( 0.0232558 -0.0000000 0.5000000), wk = 0.0037594 k( 226) = ( 0.0348837 0.0000000 0.5000000), wk = 0.0037594 k( 227) = ( 0.0465116 -0.0000000 0.5000000), wk = 0.0037594 k( 228) = ( 0.0581395 -0.0000000 0.5000000), wk = 0.0037594 k( 229) = ( 0.0697674 0.0000000 0.5000000), wk = 0.0037594 k( 230) = ( 0.0813954 -0.0000000 0.5000000), wk = 0.0037594 k( 231) = ( 0.0930233 -0.0000000 0.5000000), wk = 0.0037594 k( 232) = ( 0.1046512 -0.0000000 0.5000000), wk = 0.0037594 k( 233) = ( 0.1162791 0.0000000 0.5000000), wk = 0.0037594 k( 234) = ( 0.1279070 -0.0000000 0.5000000), wk = 0.0037594 k( 235) = ( 0.1395349 0.0000000 0.5000000), wk = 0.0037594 k( 236) = ( 0.1511628 -0.0000000 0.5000000), wk = 0.0037594 k( 237) = ( 0.1627907 -0.0000000 0.5000000), wk = 0.0037594 k( 238) = ( 0.1744186 -0.0000000 0.5000000), wk = 0.0037594 k( 239) = ( 0.1860465 0.0000000 0.5000000), wk = 0.0037594 k( 240) = ( 0.1976744 -0.0000000 0.5000000), wk = 0.0037594 k( 241) = ( 0.2093023 -0.0000000 0.5000000), wk = 0.0037594 k( 242) = ( 0.2209302 -0.0000000 0.5000000), wk = 0.0037594 k( 243) = ( 0.2325581 0.0000000 0.5000000), wk = 0.0037594 k( 244) = ( 0.2441860 -0.0000000 0.5000000), wk = 0.0037594 k( 245) = ( 0.2558140 0.0000000 0.5000000), wk = 0.0037594 k( 246) = ( 0.2674419 -0.0000000 0.5000000), wk = 0.0037594 k( 247) = ( 0.2790698 0.0000000 0.5000000), wk = 0.0037594 k( 248) = ( 0.2906977 0.0000000 0.5000000), wk = 0.0037594 k( 249) = ( 0.3023256 -0.0000000 0.5000000), wk = 0.0037594 k( 250) = ( 0.3139535 -0.0000000 0.5000000), wk = 0.0037594 k( 251) = ( 0.3255814 -0.0000000 0.5000000), wk = 0.0037594 k( 252) = ( 0.3372093 0.0000000 0.5000000), wk = 0.0037594 k( 253) = ( 0.3488372 -0.0000000 0.5000000), wk = 0.0037594 k( 254) = ( 0.3604651 -0.0000000 0.5000000), wk = 0.0037594 k( 255) = ( 0.3720930 0.0000000 0.5000000), wk = 0.0037594 k( 256) = ( 0.3837209 0.0000000 0.5000000), wk = 0.0037594 k( 257) = ( 0.3953488 -0.0000000 0.5000000), wk = 0.0037594 k( 258) = ( 0.4069767 0.0000000 0.5000000), wk = 0.0037594 k( 259) = ( 0.4186047 -0.0000000 0.5000000), wk = 0.0037594 k( 260) = ( 0.4302326 -0.0000000 0.5000000), wk = 0.0037594 k( 261) = ( 0.4418605 -0.0000000 0.5000000), wk = 0.0037594 k( 262) = ( 0.4534884 -0.0000000 0.5000000), wk = 0.0037594 k( 263) = ( 0.4651163 0.0000000 0.5000000), wk = 0.0037594 k( 264) = ( 0.4767442 -0.0000000 0.5000000), wk = 0.0037594 k( 265) = ( 0.4883721 -0.0000000 0.5000000), wk = 0.0037594 k( 266) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0037594 Dense grid: 92565 G-vectors FFT dimensions: ( 40, 54, 96) Smooth grid: 56863 G-vectors FFT dimensions: ( 32, 45, 80) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.44 Mb ( 402, 72) NL pseudopotentials 0.47 Mb ( 201, 152) Each V/rho on FFT grid 0.10 Mb ( 6480) Each G-vector array 0.02 Mb ( 2571) G-vector shells 0.02 Mb ( 2451) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.77 Mb ( 402, 288) Each subspace H/S matrix 0.08 Mb ( 72, 72) Each matrix 0.33 Mb ( 152, 2, 72) The potential is recalculated from file : ./HfSe3.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.7 secs Computing kpt #: 2 total cpu time spent up to now is 3.6 secs Computing kpt #: 3 total cpu time spent up to now is 4.5 secs Computing kpt #: 4 total cpu time spent up to now is 5.3 secs Computing kpt #: 5 total cpu time spent up to now is 6.2 secs Computing kpt #: 6 total cpu time spent up to now is 7.1 secs Computing kpt #: 7 total cpu time spent up to now is 7.9 secs Computing kpt #: 8 total cpu time spent up to now is 8.8 secs Computing kpt #: 9 total cpu time spent up to now is 9.7 secs Computing kpt #: 10 total cpu time spent up to now is 10.5 secs Computing kpt #: 11 total cpu time spent up to now is 11.4 secs Computing kpt #: 12 total cpu time spent up to now is 12.3 secs Computing kpt #: 13 total cpu time spent up to now is 13.1 secs Computing kpt #: 14 total cpu time spent up to now is 13.9 secs Computing kpt #: 15 total cpu time spent up to now is 14.7 secs Computing kpt #: 16 total cpu time spent up to now is 15.6 secs Computing kpt #: 17 total cpu time spent up to now is 16.3 secs Computing kpt #: 18 total cpu time spent up to now is 17.2 secs Computing kpt #: 19 total cpu time spent up to now is 18.0 secs Computing kpt #: 20 total cpu time spent up to now is 18.8 secs Computing kpt #: 21 total cpu time spent up to now is 19.7 secs Computing kpt #: 22 total cpu time spent up to now is 20.5 secs Computing kpt #: 23 total cpu time spent up to now is 21.3 secs Computing kpt #: 24 total cpu time spent up to now is 22.1 secs Computing kpt #: 25 total cpu time spent up to now is 23.0 secs Computing kpt #: 26 total cpu time spent up to now is 23.9 secs Computing kpt #: 27 total cpu time spent up to now is 24.9 secs Computing kpt #: 28 total cpu time spent up to now is 25.8 secs Computing kpt #: 29 total cpu time spent up to now is 26.6 secs Computing kpt #: 30 total cpu time spent up to now is 27.4 secs Computing kpt #: 31 total cpu time spent up to now is 28.2 secs Computing kpt #: 32 total cpu time spent up to now is 29.0 secs Computing kpt #: 33 total cpu time spent up to now is 29.8 secs Computing kpt #: 34 total cpu time spent up to now is 30.6 secs Computing kpt #: 35 total cpu time spent up to now is 31.6 secs Computing kpt #: 36 total cpu time spent up to now is 32.5 secs Computing kpt #: 37 total cpu time spent up to now is 33.5 secs Computing kpt #: 38 total cpu time spent up to now is 34.5 secs Computing kpt #: 39 total cpu time spent up to now is 35.5 secs Computing kpt #: 40 total cpu time spent up to now is 36.5 secs Computing kpt #: 41 total cpu time spent up to now is 37.4 secs Computing kpt #: 42 total cpu time spent up to now is 38.4 secs Computing kpt #: 43 total cpu time spent up to now is 39.4 secs Computing kpt #: 44 total cpu time spent up to now is 40.4 secs Computing kpt #: 45 total cpu time spent up to now is 41.4 secs Computing kpt #: 46 total cpu time spent up to now is 42.4 secs Computing kpt #: 47 total cpu time spent up to now is 43.3 secs Computing kpt #: 48 total cpu time spent up to now is 44.3 secs Computing kpt #: 49 total cpu time spent up to now is 45.2 secs Computing kpt #: 50 total cpu time spent up to now is 46.2 secs Computing kpt #: 51 total cpu time spent up to now is 47.1 secs Computing kpt #: 52 total cpu time spent up to now is 48.0 secs Computing kpt #: 53 total cpu time spent up to now is 48.9 secs Computing kpt #: 54 total cpu time spent up to now is 49.7 secs Computing kpt #: 55 total cpu time spent up to now is 50.6 secs Computing kpt #: 56 total cpu time spent up to now is 51.6 secs Computing kpt #: 57 total cpu time spent up to now is 52.5 secs Computing kpt #: 58 total cpu time spent up to now is 53.4 secs Computing kpt #: 59 total cpu time spent up to now is 54.2 secs Computing kpt #: 60 total cpu time spent up to now is 55.0 secs Computing kpt #: 61 total cpu time spent up to now is 55.8 secs Computing kpt #: 62 total cpu time spent up to now is 56.5 secs Computing kpt #: 63 total cpu time spent up to now is 57.3 secs Computing kpt #: 64 total cpu time spent up to now is 58.0 secs Computing kpt #: 65 total cpu time spent up to now is 58.8 secs Computing kpt #: 66 total cpu time spent up to now is 59.5 secs Computing kpt #: 67 total cpu time spent up to now is 60.3 secs Computing kpt #: 68 total cpu time spent up to now is 61.0 secs Computing kpt #: 69 total cpu time spent up to now is 61.7 secs Computing kpt #: 70 total cpu time spent up to now is 62.5 secs Computing kpt #: 71 total cpu time spent up to now is 63.2 secs Computing kpt #: 72 total cpu time spent up to now is 64.0 secs Computing kpt #: 73 total cpu time spent up to now is 64.7 secs Computing kpt #: 74 total cpu time spent up to now is 65.5 secs Computing kpt #: 75 total cpu time spent up to now is 66.3 secs Computing kpt #: 76 total cpu time spent up to now is 67.0 secs Computing kpt #: 77 total cpu time spent up to now is 67.8 secs Computing kpt #: 78 total cpu time spent up to now is 68.6 secs Computing kpt #: 79 total cpu time spent up to now is 69.3 secs Computing kpt #: 80 total cpu time spent up to now is 70.2 secs Computing kpt #: 81 total cpu time spent up to now is 71.0 secs Computing kpt #: 82 total cpu time spent up to now is 71.8 secs Computing kpt #: 83 total cpu time spent up to now is 72.7 secs Computing kpt #: 84 total cpu time spent up to now is 73.5 secs Computing kpt #: 85 total cpu time spent up to now is 74.3 secs Computing kpt #: 86 total cpu time spent up to now is 75.2 secs Computing kpt #: 87 total cpu time spent up to now is 76.0 secs Computing kpt #: 88 total cpu time spent up to now is 76.8 secs Computing kpt #: 89 total cpu time spent up to now is 77.6 secs Computing kpt #: 90 total cpu time spent up to now is 78.4 secs Computing kpt #: 91 total cpu time spent up to now is 79.2 secs Computing kpt #: 92 total cpu time spent up to now is 80.1 secs Computing kpt #: 93 total cpu time spent up to now is 80.9 secs Computing kpt #: 94 total cpu time spent up to now is 81.7 secs Computing kpt #: 95 total cpu time spent up to now is 82.6 secs Computing kpt #: 96 total cpu time spent up to now is 83.4 secs Computing kpt #: 97 total cpu time spent up to now is 84.2 secs Computing kpt #: 98 total cpu time spent up to now is 85.0 secs Computing kpt #: 99 total cpu time spent up to now is 85.8 secs Computing kpt #: 100 total cpu time spent up to now is 86.6 secs Computing kpt #: 101 total cpu time spent up to now is 87.4 secs Computing kpt #: 102 total cpu time spent up to now is 88.3 secs Computing kpt #: 103 total cpu time spent up to now is 89.1 secs Computing kpt #: 104 total cpu time spent up to now is 89.9 secs Computing kpt #: 105 total cpu time spent up to now is 90.7 secs Computing kpt #: 106 total cpu time spent up to now is 91.6 secs Computing kpt #: 107 total cpu time spent up to 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Computing kpt #: 123 total cpu time spent up to now is 105.9 secs Computing kpt #: 124 total cpu time spent up to now is 106.7 secs Computing kpt #: 125 total cpu time spent up to now is 107.6 secs Computing kpt #: 126 total cpu time spent up to now is 108.4 secs Computing kpt #: 127 total cpu time spent up to now is 109.3 secs Computing kpt #: 128 total cpu time spent up to now is 110.1 secs Computing kpt #: 129 total cpu time spent up to now is 111.0 secs Computing kpt #: 130 total cpu time spent up to now is 111.9 secs Computing kpt #: 131 total cpu time spent up to now is 112.7 secs Computing kpt #: 132 total cpu time spent up to now is 113.6 secs Computing kpt #: 133 total cpu time spent up to now is 114.3 secs Computing kpt #: 134 total cpu time spent up to now is 115.1 secs Computing kpt #: 135 total cpu time spent up to now is 115.9 secs Computing kpt #: 136 total cpu time spent up to now is 116.8 secs Computing kpt #: 137 total cpu time spent up to now is 117.6 secs Computing kpt #: 138 total cpu time spent up to now is 118.4 secs Computing kpt #: 139 total cpu time spent up to now is 119.2 secs Computing kpt #: 140 total cpu time spent up to now is 120.0 secs Computing kpt #: 141 total cpu time spent up to now is 120.8 secs Computing kpt #: 142 total cpu time spent up to now is 121.6 secs Computing kpt #: 143 total cpu time spent up to now is 122.4 secs Computing kpt #: 144 total cpu time spent up to now is 123.2 secs Computing kpt #: 145 total cpu time spent up to now is 124.0 secs Computing kpt #: 146 total cpu time spent up to now is 124.7 secs Computing kpt #: 147 total cpu time spent up to now is 125.5 secs Computing kpt #: 148 total cpu time spent up to now is 126.3 secs Computing kpt #: 149 total cpu time spent up to now is 127.0 secs Computing kpt #: 150 total cpu time spent up to now is 127.8 secs Computing kpt #: 151 total cpu time spent up to now is 128.5 secs Computing kpt #: 152 total cpu time spent up to now is 129.3 secs Computing kpt #: 153 total cpu time spent up to now is 130.1 secs Computing kpt #: 154 total cpu time spent up to now is 130.8 secs Computing kpt #: 155 total cpu time spent up to now is 131.6 secs Computing kpt #: 156 total cpu time spent up to now is 132.4 secs Computing kpt #: 157 total cpu time spent up to now is 133.4 secs Computing kpt #: 158 total cpu time spent up to now is 134.3 secs Computing kpt #: 159 total cpu time spent up to now is 135.2 secs Computing kpt #: 160 total cpu time spent up to now is 136.2 secs Computing kpt #: 161 total cpu time spent up to now is 137.0 secs Computing kpt #: 162 total cpu time spent up to now is 138.0 secs Computing kpt #: 163 total cpu time spent up to now is 138.9 secs Computing kpt #: 164 total cpu time spent up to now is 139.8 secs Computing kpt #: 165 total cpu time spent up to now is 140.7 secs Computing kpt #: 166 total cpu time spent up to now is 141.6 secs Computing kpt #: 167 total cpu time spent up to now is 142.6 secs Computing kpt #: 168 total cpu time spent up to now is 143.5 secs Computing kpt #: 169 total cpu time spent up to now is 144.4 secs Computing kpt #: 170 total cpu time spent up to now is 145.4 secs Computing kpt #: 171 total cpu time spent up to now is 146.3 secs Computing kpt #: 172 total cpu time spent up to now is 147.3 secs Computing kpt #: 173 total cpu time spent up to now is 148.2 secs Computing kpt #: 174 total cpu time spent up to now is 149.2 secs Computing kpt #: 175 total cpu time spent up to now is 150.1 secs Computing kpt #: 176 total cpu time spent up to now is 150.9 secs Computing kpt #: 177 total cpu time spent up to now is 151.8 secs Computing kpt #: 178 total cpu time spent up to now is 152.6 secs Computing kpt #: 179 total cpu time spent up to now is 153.4 secs Computing kpt #: 180 total cpu time spent up to now is 154.2 secs Computing kpt #: 181 total cpu time spent up to now is 155.1 secs Computing kpt #: 182 total cpu time spent up to now is 155.9 secs Computing kpt #: 183 total cpu time spent up to now is 156.7 secs Computing kpt #: 184 total cpu time spent up to now is 157.6 secs Computing kpt #: 185 total cpu time spent up to now is 158.4 secs Computing kpt #: 186 total cpu time spent up to now is 159.3 secs Computing kpt #: 187 total cpu time spent up to now is 160.1 secs Computing kpt #: 188 total cpu time spent up to now is 161.0 secs Computing kpt #: 189 total cpu time spent up to now is 161.8 secs Computing kpt #: 190 total cpu time spent up to now is 162.7 secs Computing kpt #: 191 total cpu time spent up to now is 163.6 secs Computing kpt #: 192 total cpu time spent up to now is 164.4 secs Computing kpt #: 193 total cpu time spent up to now is 165.3 secs Computing kpt #: 194 total cpu time spent up to now is 166.1 secs Computing kpt #: 195 total cpu time spent up to now is 166.9 secs Computing kpt #: 196 total cpu time spent up to now is 167.8 secs Computing kpt #: 197 total cpu time spent up to now is 168.7 secs Computing kpt #: 198 total cpu time spent up to now is 169.5 secs Computing kpt #: 199 total cpu time spent up to now is 170.4 secs Computing kpt #: 200 total cpu time spent up to now is 171.2 secs Computing kpt #: 201 total cpu time spent up to now is 172.1 secs Computing kpt #: 202 total cpu time spent up to now is 172.9 secs Computing kpt #: 203 total cpu time spent up to now is 173.8 secs Computing kpt #: 204 total cpu time spent up to now is 174.6 secs Computing kpt #: 205 total cpu time spent up to now is 175.5 secs Computing kpt #: 206 total cpu time spent up to now is 176.4 secs Computing kpt #: 207 total cpu time spent up to now is 177.2 secs Computing kpt #: 208 total cpu time spent up to now is 178.1 secs Computing kpt #: 209 total cpu time spent up to now is 178.9 secs Computing kpt #: 210 total cpu time spent up to now is 179.8 secs Computing kpt #: 211 total cpu time spent up to now is 180.6 secs Computing kpt #: 212 total cpu time spent up to now is 181.5 secs Computing kpt #: 213 total cpu time spent up to now is 182.3 secs Computing kpt #: 214 total cpu time spent up to now is 183.2 secs Computing kpt #: 215 total cpu time spent up to now is 184.0 secs Computing kpt #: 216 total cpu time spent up to now is 184.9 secs Computing kpt #: 217 total cpu time spent up to now is 185.7 secs Computing kpt #: 218 total cpu time spent up to now is 186.5 secs Computing kpt #: 219 total cpu time spent up to now is 187.4 secs Computing kpt #: 220 total cpu time spent up to now is 188.2 secs Computing kpt #: 221 total cpu time spent up to now is 189.1 secs Computing kpt #: 222 total cpu time spent up to now is 189.9 secs Computing kpt #: 223 total cpu time spent up to now is 190.8 secs Computing kpt #: 224 total cpu time spent up to now is 191.6 secs Computing kpt #: 225 total cpu time spent up to now is 192.4 secs Computing kpt #: 226 total cpu time spent up to now is 193.2 secs Computing kpt #: 227 total cpu time spent up to now is 194.1 secs Computing kpt #: 228 total cpu time spent up to now is 194.9 secs Computing kpt #: 229 total cpu time spent up to now is 195.7 secs Computing kpt #: 230 total cpu time spent up to now is 196.5 secs Computing kpt #: 231 total cpu time spent up to now is 197.4 secs Computing kpt #: 232 total cpu time spent up to now is 198.2 secs Computing kpt #: 233 total cpu time spent up to now is 199.0 secs Computing kpt #: 234 total cpu time spent up to now is 199.8 secs Computing kpt #: 235 total cpu time spent up to now is 200.6 secs Computing kpt #: 236 total cpu time spent up to now is 201.5 secs Computing kpt #: 237 total cpu time spent up to now is 202.3 secs Computing kpt #: 238 total cpu time spent up to now is 203.1 secs Computing kpt #: 239 total cpu time spent up to now is 204.0 secs Computing kpt #: 240 total cpu time spent up to now is 204.8 secs Computing kpt #: 241 total cpu time spent up to now is 205.7 secs Computing kpt #: 242 total cpu time spent up to now is 206.5 secs Computing kpt #: 243 total cpu time spent up to now is 207.4 secs Computing kpt #: 244 total cpu time spent up to now is 208.3 secs Computing kpt #: 245 total cpu time spent up to now is 209.2 secs Computing kpt #: 246 total cpu time spent up to now is 210.0 secs Computing kpt #: 247 total cpu time spent up to now is 211.0 secs Computing kpt #: 248 total cpu time spent up to now is 211.9 secs Computing kpt #: 249 total cpu time spent up to now is 212.8 secs Computing kpt #: 250 total cpu time spent up to now is 213.6 secs Computing kpt #: 251 total cpu time spent up to now is 214.5 secs Computing kpt #: 252 total cpu time spent up to now is 215.5 secs Computing kpt #: 253 total cpu time spent up to now is 216.4 secs Computing kpt #: 254 total cpu time spent up to now is 217.3 secs Computing kpt #: 255 total cpu time spent up to now is 218.3 secs Computing kpt #: 256 total cpu time spent up to now is 219.3 secs Computing kpt #: 257 total cpu time spent up to now is 220.2 secs Computing kpt #: 258 total cpu time spent up to now is 221.1 secs Computing kpt #: 259 total cpu time spent up to now is 222.0 secs Computing kpt #: 260 total cpu time spent up to now is 222.9 secs Computing kpt #: 261 total cpu time spent up to now is 223.8 secs Computing kpt #: 262 total cpu time spent up to now is 224.7 secs Computing kpt #: 263 total cpu time spent up to now is 225.5 secs Computing kpt #: 264 total cpu time spent up to now is 226.4 secs Computing kpt #: 265 total cpu time spent up to now is 227.3 secs Computing kpt #: 266 total cpu time spent up to now is 228.2 secs ethr = 1.67E-08, avg # of iterations = 19.5 total cpu time spent up to now is 228.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7117 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3919 -28.3919 -28.3847 -28.3847 -20.7189 -20.7189 -20.6922 -20.6922 -20.6489 -20.6489 -20.6323 -20.6323 -7.0689 -7.0689 -6.7164 -6.7164 -5.1792 -5.1792 -4.0427 -4.0427 -3.1402 -3.1402 -2.7690 -2.7690 2.0178 2.0178 2.1859 2.1859 2.9734 2.9734 3.2438 3.2438 3.6958 3.6958 4.7634 4.7634 4.9636 4.9636 5.0408 5.0408 5.9106 5.9106 6.5157 6.5157 7.2278 7.2278 7.2302 7.2302 7.3712 7.3712 7.7351 7.7351 8.2356 8.2356 8.5944 8.5944 8.7743 8.7743 9.3472 9.3472 10.8748 10.8748 10.8886 10.8886 11.0892 11.0892 11.5094 11.5094 k = 0.0000 0.0000 0.0117 ( 7111 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3918 -28.3918 -28.3847 -28.3847 -20.7189 -20.7189 -20.6922 -20.6922 -20.6489 -20.6489 -20.6323 -20.6323 -7.0683 -7.0683 -6.7173 -6.7173 -5.1788 -5.1788 -4.0428 -4.0428 -3.1395 -3.1395 -2.7697 -2.7697 2.0170 2.0170 2.1878 2.1878 2.9621 2.9621 3.2476 3.2476 3.7051 3.7051 4.7636 4.7636 4.9631 4.9631 5.0417 5.0417 5.9112 5.9112 6.5123 6.5123 7.1888 7.1888 7.2604 7.2604 7.3789 7.3789 7.7366 7.7366 8.2346 8.2346 8.5925 8.5925 8.7714 8.7714 9.3494 9.3494 10.8749 10.8749 10.8892 10.8892 11.0904 11.0904 11.5089 11.5089 k = 0.0000 0.0000 0.0234 ( 7119 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3919 -28.3919 -28.3847 -28.3847 -20.7189 -20.7189 -20.6922 -20.6922 -20.6489 -20.6489 -20.6323 -20.6323 -7.0665 -7.0665 -6.7200 -6.7200 -5.1777 -5.1777 -4.0432 -4.0432 -3.1371 -3.1371 -2.7718 -2.7718 2.0148 2.0148 2.1930 2.1930 2.9315 2.9315 3.2566 3.2566 3.7319 3.7319 4.7642 4.7642 4.9617 4.9617 5.0442 5.0442 5.9129 5.9129 6.5024 6.5024 7.1445 7.1445 7.2783 7.2783 7.4018 7.4018 7.7411 7.7411 8.2317 8.2317 8.5868 8.5868 8.7632 8.7632 9.3557 9.3557 10.8750 10.8750 10.8913 10.8913 11.0938 11.0938 11.5076 11.5076 k = 0.0000 0.0000 0.0352 ( 7113 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3918 -28.3918 -28.3847 -28.3847 -20.7189 -20.7189 -20.6922 -20.6922 -20.6489 -20.6489 -20.6323 -20.6323 -7.0634 -7.0634 -6.7244 -6.7244 -5.1758 -5.1758 -4.0438 -4.0438 -3.1333 -3.1333 -2.7754 -2.7754 2.0117 2.0117 2.2010 2.2010 2.8881 2.8881 3.2668 3.2668 3.7737 3.7737 4.7651 4.7651 4.9595 4.9595 5.0486 5.0486 5.9158 5.9158 6.4861 6.4861 7.0989 7.0989 7.2845 7.2845 7.4351 7.4351 7.7482 7.7482 8.2273 8.2273 8.5775 8.5775 8.7509 8.7509 9.3652 9.3652 10.8749 10.8749 10.8950 10.8950 11.0994 11.0994 11.5056 11.5056 k = 0.0000 0.0000 0.0469 ( 7109 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3918 -28.3918 -28.3846 -28.3846 -20.7189 -20.7189 -20.6922 -20.6922 -20.6489 -20.6489 -20.6323 -20.6323 -7.0591 -7.0591 -6.7306 -6.7306 -5.1733 -5.1733 -4.0446 -4.0446 -3.1280 -3.1280 -2.7803 -2.7803 2.0082 2.0082 2.2110 2.2110 2.8377 2.8377 3.2756 3.2756 3.8269 3.8269 4.7664 4.7664 4.9565 4.9565 5.0549 5.0549 5.9197 5.9197 6.4638 6.4638 7.0532 7.0532 7.2841 7.2841 7.4724 7.4724 7.7574 7.7574 8.2222 8.2222 8.5645 8.5645 8.7359 8.7359 9.3769 9.3769 10.8743 10.8743 10.9003 10.9003 11.1070 11.1070 11.5033 11.5033 k = 0.0000 0.0000 0.0586 ( 7114 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3919 -28.3919 -28.3846 -28.3846 -20.7189 -20.7189 -20.6922 -20.6922 -20.6489 -20.6489 -20.6323 -20.6323 -7.0536 -7.0536 -6.7383 -6.7383 -5.1702 -5.1702 -4.0456 -4.0456 -3.1214 -3.1214 -2.7865 -2.7865 2.0050 2.0050 2.2223 2.2223 2.7841 2.7841 3.2825 3.2825 3.8879 3.8879 4.7680 4.7680 4.9529 4.9529 5.0635 5.0635 5.9246 5.9246 6.4363 6.4363 7.0079 7.0079 7.2800 7.2800 7.5094 7.5094 7.7677 7.7677 8.2173 8.2173 8.5484 8.5484 8.7196 8.7196 9.3897 9.3897 10.8733 10.8733 10.9071 10.9071 11.1164 11.1164 11.5012 11.5012 k = 0.0000 0.0000 0.0703 ( 7115 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3919 -28.3919 -28.3847 -28.3847 -20.7189 -20.7189 -20.6922 -20.6922 -20.6489 -20.6489 -20.6323 -20.6323 -7.0470 -7.0470 -6.7475 -6.7475 -5.1666 -5.1666 -4.0467 -4.0467 -3.1134 -3.1134 -2.7939 -2.7939 2.0025 2.0025 2.2339 2.2339 2.7302 2.7302 3.2876 3.2876 3.9535 3.9535 4.7699 4.7699 4.9487 4.9487 5.0746 5.0746 5.9302 5.9302 6.4042 6.4042 6.9630 6.9630 7.2739 7.2739 7.5442 7.5442 7.7781 7.7781 8.2140 8.2140 8.5297 8.5297 8.7032 8.7032 9.4028 9.4028 10.8719 10.8719 10.9151 10.9151 11.1272 11.1272 11.4993 11.4993 k = 0.0000 0.0000 0.0820 ( 7119 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3919 -28.3919 -28.3847 -28.3847 -20.7189 -20.7189 -20.6922 -20.6922 -20.6489 -20.6489 -20.6323 -20.6323 -7.0393 -7.0393 -6.7581 -6.7581 -5.1628 -5.1628 -4.0479 -4.0479 -3.1042 -3.1042 -2.8025 -2.8025 2.0012 2.0012 2.2450 2.2450 2.6777 2.6777 3.2911 3.2911 4.0209 4.0209 4.7720 4.7720 4.9443 4.9443 5.0887 5.0887 5.9364 5.9364 6.3685 6.3685 6.9184 6.9184 7.2667 7.2667 7.5758 7.5758 7.7873 7.7873 8.2136 8.2136 8.5093 8.5093 8.6872 8.6872 9.4154 9.4154 10.8703 10.8703 10.9239 10.9239 11.1392 11.1392 11.4979 11.4979 k = 0.0000 0.0000 0.0937 ( 7113 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3919 -28.3919 -28.3846 -28.3846 -20.7189 -20.7189 -20.6922 -20.6922 -20.6489 -20.6489 -20.6323 -20.6323 -7.0305 -7.0305 -6.7698 -6.7698 -5.1587 -5.1587 -4.0492 -4.0492 -3.0939 -3.0939 -2.8122 -2.8122 2.0014 2.0014 2.2545 2.2545 2.6284 2.6284 3.2936 3.2936 4.0878 4.0878 4.7742 4.7742 4.9396 4.9396 5.1061 5.1061 5.9430 5.9430 6.3299 6.3299 6.8743 6.8743 7.2590 7.2590 7.6038 7.6038 7.7941 7.7941 8.2173 8.2173 8.4880 8.4880 8.6717 8.6717 9.4271 9.4271 10.8685 10.8685 10.9332 10.9332 11.1519 11.1519 11.4969 11.4969 k = 0.0000 0.0000 0.1055 ( 7114 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3919 -28.3919 -28.3846 -28.3846 -20.7189 -20.7189 -20.6922 -20.6922 -20.6489 -20.6489 -20.6323 -20.6323 -7.0208 -7.0208 -6.7826 -6.7826 -5.1546 -5.1546 -4.0505 -4.0505 -3.0827 -3.0827 -2.8227 -2.8227 2.0032 2.0032 2.2612 2.2612 2.5837 2.5837 3.2952 3.2952 4.1520 4.1520 4.7764 4.7764 4.9349 4.9349 5.1271 5.1271 5.9499 5.9499 6.2894 6.2894 6.8306 6.8306 7.2511 7.2511 7.6281 7.6281 7.7982 7.7982 8.2257 8.2257 8.4665 8.4665 8.6569 8.6569 9.4376 9.4376 10.8666 10.8666 10.9425 10.9425 11.1651 11.1651 11.4960 11.4960 k = 0.0000 0.0000 0.1172 ( 7103 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3918 -28.3918 -28.3846 -28.3846 -20.7189 -20.7189 -20.6922 -20.6922 -20.6489 -20.6489 -20.6323 -20.6323 -7.0101 -7.0101 -6.7962 -6.7962 -5.1506 -5.1506 -4.0518 -4.0518 -3.0708 -3.0708 -2.8341 -2.8341 2.0069 2.0069 2.2640 2.2640 2.5452 2.5452 3.2962 3.2962 4.2118 4.2118 4.7786 4.7786 4.9302 4.9302 5.1519 5.1519 5.9568 5.9568 6.2479 6.2479 6.7878 6.7878 7.2435 7.2435 7.6487 7.6487 7.7996 7.7996 8.2386 8.2386 8.4457 8.4457 8.6425 8.6425 9.4468 9.4468 10.8647 10.8647 10.9516 10.9516 11.1782 11.1782 11.4951 11.4951 k = 0.0000 0.0000 0.1289 ( 7098 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3918 -28.3918 -28.3846 -28.3846 -20.7189 -20.7189 -20.6921 -20.6921 -20.6489 -20.6489 -20.6323 -20.6323 -6.9986 -6.9986 -6.8105 -6.8105 -5.1468 -5.1468 -4.0530 -4.0530 -3.0584 -3.0584 -2.8460 -2.8460 2.0124 2.0124 2.2616 2.2616 2.5143 2.5143 3.2968 3.2968 4.2656 4.2656 4.7807 4.7807 4.9258 4.9258 5.1801 5.1801 5.9636 5.9636 6.2061 6.2061 6.7467 6.7467 7.2364 7.2364 7.6657 7.6657 7.7991 7.7991 8.2550 8.2550 8.4261 8.4261 8.6286 8.6286 9.4547 9.4547 10.8628 10.8628 10.9601 10.9601 11.1907 11.1907 11.4939 11.4939 k = 0.0000 0.0000 0.1406 ( 7100 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3918 -28.3918 -28.3846 -28.3846 -20.7188 -20.7188 -20.6922 -20.6922 -20.6489 -20.6489 -20.6323 -20.6323 -6.9863 -6.9863 -6.8252 -6.8252 -5.1433 -5.1433 -4.0540 -4.0540 -3.0457 -3.0457 -2.8581 -2.8581 2.0196 2.0196 2.2534 2.2534 2.4916 2.4916 3.2970 3.2970 4.3122 4.3122 4.7826 4.7826 4.9218 4.9218 5.2110 5.2110 5.9702 5.9702 6.1651 6.1651 6.7084 6.7084 7.2300 7.2300 7.6789 7.6789 7.7980 7.7980 8.2735 8.2735 8.4082 8.4082 8.6152 8.6152 9.4612 9.4612 10.8610 10.8610 10.9678 10.9678 11.2024 11.2024 11.4925 11.4925 k = 0.0000 0.0000 0.1523 ( 7096 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3918 -28.3918 -28.3846 -28.3846 -20.7188 -20.7188 -20.6922 -20.6922 -20.6488 -20.6488 -20.6323 -20.6323 -6.9736 -6.9736 -6.8401 -6.8401 -5.1403 -5.1403 -4.0550 -4.0550 -3.0332 -3.0332 -2.8702 -2.8702 2.0283 2.0283 2.2404 2.2404 2.4768 2.4768 3.2971 3.2971 4.3508 4.3508 4.7842 4.7842 4.9183 4.9183 5.2428 5.2428 5.9765 5.9765 6.1260 6.1260 6.6744 6.6744 7.2245 7.2245 7.6886 7.6886 7.7971 7.7971 8.2925 8.2925 8.3924 8.3924 8.6026 8.6026 9.4664 9.4664 10.8595 10.8595 10.9743 10.9743 11.2127 11.2127 11.4910 11.4910 k = 0.0000 0.0000 0.1640 ( 7103 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3918 -28.3918 -28.3846 -28.3846 -20.7189 -20.7189 -20.6922 -20.6922 -20.6488 -20.6488 -20.6323 -20.6323 -6.9607 -6.9607 -6.8548 -6.8548 -5.1379 -5.1379 -4.0557 -4.0557 -3.0214 -3.0214 -2.8816 -2.8816 2.0378 2.0378 2.2246 2.2246 2.4681 2.4681 3.2970 3.2970 4.3810 4.3810 4.7854 4.7854 4.9155 4.9155 5.2732 5.2732 5.9827 5.9827 6.0903 6.0903 6.6459 6.6459 7.2201 7.2201 7.6950 7.6950 7.7970 7.7970 8.3105 8.3105 8.3792 8.3792 8.5913 8.5913 9.4704 9.4704 10.8582 10.8582 10.9795 10.9795 11.2213 11.2213 11.4895 11.4895 k = 0.0000 0.0000 0.1758 ( 7102 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3919 -28.3919 -28.3846 -28.3846 -20.7189 -20.7189 -20.6922 -20.6922 -20.6489 -20.6489 -20.6323 -20.6323 -6.9482 -6.9482 -6.8686 -6.8686 -5.1361 -5.1361 -4.0563 -4.0563 -3.0113 -3.0113 -2.8915 -2.8915 2.0470 2.0470 2.2093 2.2093 2.4635 2.4635 3.2970 3.2970 4.4025 4.4025 4.7863 4.7863 4.9134 4.9134 5.2987 5.2987 5.9890 5.9890 6.0601 6.0601 6.6244 6.6244 7.2169 7.2169 7.6987 7.6987 7.7974 7.7974 8.3261 8.3261 8.3685 8.3685 8.5821 8.5821 9.4732 9.4732 10.8572 10.8572 10.9833 10.9833 11.2277 11.2277 11.4882 11.4882 k = 0.0000 0.0000 0.1875 ( 7097 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3918 -28.3918 -28.3846 -28.3846 -20.7188 -20.7188 -20.6921 -20.6921 -20.6489 -20.6489 -20.6323 -20.6323 -6.9377 -6.9377 -6.8799 -6.8799 -5.1350 -5.1350 -4.0566 -4.0566 -3.0042 -3.0042 -2.8984 -2.8984 2.0541 2.0541 2.1979 2.1979 2.4615 2.4615 3.2969 3.2969 4.4153 4.4153 4.7868 4.7868 4.9121 4.9121 5.3160 5.3160 5.9955 5.9955 6.0378 6.0378 6.6110 6.6110 7.2150 7.2150 7.7006 7.7006 7.7979 7.7979 8.3379 8.3379 8.3604 8.3604 8.5760 8.5760 9.4749 9.4749 10.8566 10.8566 10.9856 10.9856 11.2317 11.2317 11.4874 11.4874 k = 0.0000 0.0000 0.1992 ( 7100 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3919 -28.3919 -28.3846 -28.3846 -20.7189 -20.7189 -20.6921 -20.6921 -20.6489 -20.6489 -20.6323 -20.6323 -6.9331 -6.9331 -6.8848 -6.8848 -5.1346 -5.1346 -4.0568 -4.0568 -3.0015 -3.0015 -2.9010 -2.9010 2.0569 2.0569 2.1936 2.1936 2.4609 2.4609 3.2968 3.2968 4.4196 4.4196 4.7870 4.7870 4.9117 4.9117 5.3222 5.3222 5.9995 5.9995 6.0282 6.0282 6.6065 6.6065 7.2143 7.2143 7.7012 7.7012 7.7981 7.7981 8.3434 8.3434 8.3562 8.3562 8.5738 8.5738 9.4754 9.4754 10.8564 10.8564 10.9864 10.9864 11.2331 11.2331 11.4871 11.4871 k = 0.0000 0.0000 0.1992 ( 7100 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3919 -28.3919 -28.3846 -28.3846 -20.7189 -20.7189 -20.6921 -20.6921 -20.6489 -20.6489 -20.6323 -20.6323 -6.9331 -6.9331 -6.8848 -6.8848 -5.1346 -5.1346 -4.0568 -4.0568 -3.0015 -3.0015 -2.9010 -2.9010 2.0569 2.0569 2.1936 2.1936 2.4609 2.4609 3.2968 3.2968 4.4196 4.4196 4.7870 4.7870 4.9117 4.9117 5.3222 5.3222 5.9995 5.9995 6.0282 6.0282 6.6065 6.6065 7.2143 7.2143 7.7012 7.7012 7.7981 7.7981 8.3434 8.3434 8.3562 8.3562 8.5738 8.5738 9.4754 9.4754 10.8564 10.8564 10.9864 10.9864 11.2331 11.2331 11.4871 11.4871 k = 0.0000 0.0116 0.1992 ( 7097 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3918 -28.3918 -28.3846 -28.3846 -20.7188 -20.7188 -20.6921 -20.6921 -20.6488 -20.6488 -20.6323 -20.6323 -6.9323 -6.9323 -6.8840 -6.8840 -5.1341 -5.1341 -4.0578 -4.0578 -3.0050 -3.0050 -2.9030 -2.9030 2.0618 2.0618 2.1972 2.1972 2.4623 2.4623 3.3005 3.3005 4.4183 4.4183 4.7874 4.7874 4.9119 4.9119 5.3225 5.3225 5.9991 5.9991 6.0294 6.0294 6.6058 6.6058 7.2126 7.2126 7.6946 7.6946 7.7980 7.7980 8.3402 8.3402 8.3555 8.3555 8.5754 8.5754 9.4767 9.4767 10.8458 10.8458 10.9890 10.9890 11.2309 11.2309 11.4894 11.4894 k = 0.0000 0.0232 0.1992 ( 7097 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3918 -28.3918 -28.3846 -28.3846 -20.7188 -20.7188 -20.6922 -20.6922 -20.6488 -20.6488 -20.6323 -20.6323 -6.9300 -6.9300 -6.8817 -6.8817 -5.1326 -5.1326 -4.0608 -4.0608 -3.0154 -3.0154 -2.9089 -2.9089 2.0765 2.0765 2.2077 2.2077 2.4668 2.4668 3.3114 3.3114 4.4143 4.4143 4.7886 4.7886 4.9128 4.9128 5.3236 5.3236 5.9980 5.9980 6.0327 6.0327 6.6035 6.6035 7.2073 7.2073 7.6751 7.6751 7.7973 7.7973 8.3314 8.3314 8.3528 8.3528 8.5802 8.5802 9.4804 9.4804 10.8172 10.8172 10.9933 10.9933 11.2250 11.2250 11.4961 11.4961 k = 0.0000 0.0348 0.1992 ( 7084 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3918 -28.3918 -28.3845 -28.3845 -20.7188 -20.7188 -20.6922 -20.6922 -20.6488 -20.6488 -20.6323 -20.6323 -6.9263 -6.9263 -6.8780 -6.8780 -5.1302 -5.1302 -4.0659 -4.0659 -3.0322 -3.0322 -2.9189 -2.9189 2.1002 2.1002 2.2246 2.2246 2.4757 2.4757 3.3293 3.3293 4.4076 4.4076 4.7907 4.7907 4.9142 4.9142 5.3254 5.3254 5.9967 5.9967 6.0377 6.0377 6.5998 6.5998 7.1986 7.1986 7.6438 7.6438 7.7960 7.7960 8.3180 8.3180 8.3477 8.3477 8.5879 8.5879 9.4861 9.4861 10.7759 10.7759 10.9945 10.9945 11.2168 11.2168 11.5066 11.5066 k = 0.0000 0.0464 0.1992 ( 7086 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3918 -28.3918 -28.3845 -28.3845 -20.7187 -20.7187 -20.6922 -20.6922 -20.6489 -20.6489 -20.6324 -20.6324 -6.9210 -6.9210 -6.8727 -6.8727 -5.1268 -5.1268 -4.0729 -4.0729 -3.0550 -3.0550 -2.9330 -2.9330 2.1317 2.1317 2.2469 2.2469 2.4907 2.4907 3.3540 3.3540 4.3982 4.3982 4.7934 4.7934 4.9162 4.9162 5.3279 5.3279 5.9955 5.9955 6.0439 6.0439 6.5946 6.5946 7.1867 7.1867 7.6018 7.6018 7.7938 7.7938 8.3006 8.3006 8.3404 8.3404 8.5979 8.5979 9.4934 9.4934 10.7250 10.7250 10.9899 10.9899 11.2076 11.2076 11.5204 11.5204 k = 0.0000 0.0580 0.1992 ( 7086 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3918 -28.3918 -28.3845 -28.3845 -20.7187 -20.7187 -20.6924 -20.6924 -20.6489 -20.6489 -20.6324 -20.6324 -6.9143 -6.9143 -6.8660 -6.8660 -5.1225 -5.1225 -4.0819 -4.0819 -3.0831 -3.0831 -2.9511 -2.9511 2.1682 2.1682 2.2748 2.2748 2.5141 2.5141 3.3851 3.3851 4.3859 4.3859 4.7970 4.7970 4.9187 4.9187 5.3313 5.3313 5.9944 5.9944 6.0510 6.0510 6.5877 6.5877 7.1717 7.1717 7.5507 7.5507 7.7909 7.7909 8.2799 8.2799 8.3309 8.3309 8.6100 8.6100 9.5017 9.5017 10.6658 10.6658 10.9790 10.9790 11.1987 11.1987 11.5371 11.5371 k = 0.0000 0.0696 0.1992 ( 7081 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3918 -28.3918 -28.3845 -28.3845 -20.7186 -20.7186 -20.6925 -20.6925 -20.6488 -20.6488 -20.6325 -20.6325 -6.9062 -6.9062 -6.8579 -6.8579 -5.1174 -5.1174 -4.0927 -4.0927 -3.1159 -3.1159 -2.9731 -2.9731 2.2044 2.2044 2.3112 2.3112 2.5480 2.5480 3.4222 3.4222 4.3708 4.3708 4.8013 4.8013 4.9218 4.9218 5.3356 5.3356 5.9936 5.9936 6.0586 6.0586 6.5791 6.5791 7.1537 7.1537 7.4924 7.4924 7.7872 7.7872 8.2565 8.2565 8.3195 8.3195 8.6237 8.6237 9.5102 9.5102 10.5988 10.5988 10.9622 10.9622 11.1902 11.1902 11.5561 11.5561 k = 0.0000 0.0811 0.1992 ( 7087 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3918 -28.3918 -28.3846 -28.3846 -20.7186 -20.7186 -20.6926 -20.6926 -20.6488 -20.6488 -20.6326 -20.6326 -6.8967 -6.8967 -6.8484 -6.8484 -5.1116 -5.1116 -4.1052 -4.1052 -3.1528 -3.1528 -2.9989 -2.9989 2.2338 2.2338 2.3606 2.3606 2.5935 2.5935 3.4651 3.4651 4.3528 4.3528 4.8062 4.8062 4.9253 4.9253 5.3407 5.3407 5.9930 5.9930 6.0664 6.0664 6.5684 6.5684 7.1332 7.1332 7.4286 7.4286 7.7827 7.7827 8.2310 8.2310 8.3063 8.3063 8.6388 8.6388 9.5185 9.5185 10.5242 10.5242 10.9400 10.9400 11.1820 11.1820 11.5694 11.5694 k = 0.0000 0.0927 0.1992 ( 7087 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3918 -28.3918 -28.3846 -28.3846 -20.7185 -20.7185 -20.6928 -20.6928 -20.6488 -20.6488 -20.6327 -20.6327 -6.8859 -6.8859 -6.8377 -6.8377 -5.1051 -5.1051 -4.1194 -4.1194 -3.1931 -3.1931 -3.0279 -3.0279 2.2547 2.2547 2.4245 2.4245 2.6502 2.6502 3.5132 3.5132 4.3318 4.3318 4.8118 4.8118 4.9293 4.9293 5.3468 5.3468 5.9926 5.9926 6.0741 6.0741 6.5553 6.5553 7.1103 7.1103 7.3617 7.3617 7.7774 7.7774 8.2040 8.2040 8.2914 8.2914 8.6551 8.6551 9.5260 9.5260 10.4422 10.4422 10.9117 10.9117 11.1732 11.1732 11.5252 11.5252 k = 0.0000 0.1043 0.1992 ( 7084 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3918 -28.3918 -28.3846 -28.3846 -20.7184 -20.7184 -20.6929 -20.6929 -20.6488 -20.6488 -20.6329 -20.6329 -6.8739 -6.8739 -6.8258 -6.8258 -5.0980 -5.0980 -4.1352 -4.1352 -3.2362 -3.2362 -3.0599 -3.0599 2.2695 2.2695 2.5004 2.5004 2.7168 2.7168 3.5666 3.5666 4.3080 4.3080 4.8180 4.8180 4.9337 4.9337 5.3539 5.3539 5.9922 5.9922 6.0813 6.0813 6.5390 6.5390 7.0853 7.0853 7.2939 7.2939 7.7715 7.7715 8.1761 8.1761 8.2750 8.2750 8.6724 8.6724 9.5323 9.5323 10.3533 10.3533 10.8751 10.8751 11.1629 11.1629 11.4535 11.4535 k = 0.0000 0.1159 0.1992 ( 7078 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3917 -28.3917 -28.3846 -28.3846 -20.7183 -20.7183 -20.6931 -20.6931 -20.6488 -20.6488 -20.6330 -20.6330 -6.8606 -6.8606 -6.8127 -6.8127 -5.0906 -5.0906 -4.1522 -4.1522 -3.2815 -3.2815 -3.0945 -3.0945 2.2813 2.2813 2.5856 2.5856 2.7917 2.7917 3.6247 3.6247 4.2816 4.2816 4.8248 4.8248 4.9385 4.9385 5.3620 5.3620 5.9919 5.9919 6.0877 6.0877 6.5187 6.5187 7.0588 7.0588 7.2277 7.2277 7.7649 7.7649 8.1477 8.1477 8.2570 8.2570 8.6904 8.6904 9.5370 9.5370 10.2578 10.2578 10.8256 10.8256 11.1493 11.1493 11.3776 11.3776 k = 0.0000 0.1275 0.1992 ( 7087 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3917 -28.3917 -28.3847 -28.3847 -20.7182 -20.7182 -20.6933 -20.6933 -20.6488 -20.6488 -20.6332 -20.6332 -6.8462 -6.8462 -6.7987 -6.7987 -5.0829 -5.0829 -4.1705 -4.1705 -3.3282 -3.3282 -3.1312 -3.1312 2.2922 2.2922 2.6784 2.6784 2.8734 2.8734 3.6876 3.6876 4.2528 4.2528 4.8320 4.8320 4.9437 4.9437 5.3709 5.3709 5.9912 5.9912 6.0930 6.0930 6.4935 6.4935 7.0310 7.0310 7.1653 7.1653 7.7577 7.7577 8.1193 8.1193 8.2378 8.2378 8.7090 8.7090 9.5396 9.5396 10.1565 10.1565 10.7566 10.7566 11.1305 11.1305 11.3108 11.3108 k = 0.0000 0.1391 0.1992 ( 7086 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3917 -28.3917 -28.3848 -28.3848 -20.7181 -20.7181 -20.6935 -20.6935 -20.6488 -20.6488 -20.6333 -20.6333 -6.8308 -6.8308 -6.7838 -6.7838 -5.0750 -5.0750 -4.1897 -4.1897 -3.3759 -3.3759 -3.1697 -3.1697 2.3034 2.3034 2.7771 2.7771 2.9604 2.9604 3.7547 3.7547 4.2224 4.2224 4.8397 4.8397 4.9491 4.9491 5.3807 5.3807 5.9900 5.9900 6.0969 6.0969 6.4623 6.4623 7.0026 7.0026 7.1091 7.1091 7.7498 7.7498 8.0914 8.0914 8.2173 8.2173 8.7279 8.7279 9.5394 9.5394 10.0506 10.0506 10.6626 10.6626 11.1060 11.1060 11.2629 11.2629 k = 0.0000 0.1507 0.1992 ( 7090 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3917 -28.3917 -28.3848 -28.3848 -20.7180 -20.7180 -20.6937 -20.6937 -20.6488 -20.6488 -20.6335 -20.6335 -6.8145 -6.8145 -6.7682 -6.7682 -5.0673 -5.0673 -4.2096 -4.2096 -3.4238 -3.4238 -3.2094 -3.2094 2.3160 2.3160 2.8805 2.8805 3.0515 3.0515 3.8250 3.8250 4.1918 4.1918 4.8477 4.8477 4.9547 4.9547 5.3912 5.3912 5.9879 5.9879 6.0993 6.0993 6.4248 6.4248 6.9737 6.9737 7.0607 7.0607 7.7413 7.7413 8.0643 8.0643 8.1958 8.1958 8.7467 8.7467 9.5355 9.5355 9.9416 9.9416 10.5435 10.5435 11.0788 11.0788 11.2335 11.2335 k = 0.0000 0.1623 0.1992 ( 7097 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3917 -28.3917 -28.3849 -28.3849 -20.7179 -20.7179 -20.6939 -20.6939 -20.6488 -20.6488 -20.6337 -20.6337 -6.7975 -6.7975 -6.7519 -6.7519 -5.0598 -5.0598 -4.2300 -4.2300 -3.4714 -3.4714 -3.2501 -3.2501 2.3304 2.3304 2.9867 2.9867 3.1453 3.1453 3.8959 3.8959 4.1647 4.1647 4.8560 4.8560 4.9604 4.9604 5.4022 5.4022 5.9841 5.9841 6.0998 6.0998 6.3816 6.3816 6.9444 6.9444 7.0214 7.0214 7.7322 7.7322 8.0383 8.0383 8.1734 8.1734 8.7649 8.7649 9.5254 9.5254 9.8327 9.8327 10.4049 10.4049 11.0517 11.0517 11.2161 11.2161 k = 0.0000 0.1739 0.1992 ( 7097 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3917 -28.3917 -28.3849 -28.3849 -20.7178 -20.7178 -20.6941 -20.6941 -20.6488 -20.6488 -20.6339 -20.6339 -6.7797 -6.7797 -6.7352 -6.7352 -5.0527 -5.0527 -4.2507 -4.2507 -3.5181 -3.5181 -3.2914 -3.2914 2.3472 2.3472 3.0939 3.0939 3.2410 3.2410 3.9586 3.9586 4.1510 4.1510 4.8644 4.8644 4.9663 4.9663 5.4132 5.4132 5.9778 5.9778 6.0983 6.0983 6.3348 6.3348 6.9140 6.9140 6.9920 6.9920 7.7227 7.7227 8.0137 8.0137 8.1504 8.1504 8.7814 8.7814 9.5035 9.5035 9.7303 9.7303 10.2543 10.2543 11.0219 11.0219 11.2044 11.2044 k = 0.0000 0.1855 0.1992 ( 7100 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3917 -28.3917 -28.3850 -28.3850 -20.7177 -20.7177 -20.6943 -20.6943 -20.6488 -20.6488 -20.6341 -20.6341 -6.7616 -6.7616 -6.7182 -6.7182 -5.0462 -5.0462 -4.2713 -4.2713 -3.5631 -3.5631 -3.3330 -3.3330 2.3665 2.3665 3.1994 3.1994 3.3375 3.3375 3.9915 3.9915 4.1741 4.1741 4.8730 4.8730 4.9721 4.9721 5.4239 5.4239 5.9677 5.9677 6.0940 6.0940 6.2880 6.2880 6.8823 6.8823 6.9717 6.9717 7.7126 7.7126 7.9904 7.9904 8.1270 8.1270 8.7950 8.7950 9.4580 9.4580 9.6469 9.6469 10.0991 10.0991 10.9795 10.9795 11.1914 11.1914 k = 0.0000 0.1971 0.1992 ( 7101 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3917 -28.3917 -28.3850 -28.3850 -20.7176 -20.7176 -20.6946 -20.6946 -20.6487 -20.6487 -20.6343 -20.6343 -6.7431 -6.7431 -6.7012 -6.7012 -5.0405 -5.0405 -4.2918 -4.2918 -3.6060 -3.6060 -3.3744 -3.3744 2.3887 2.3887 3.2994 3.2994 3.4334 3.4334 3.9905 3.9905 4.2416 4.2416 4.8815 4.8815 4.9778 4.9778 5.4335 5.4335 5.9521 5.9521 6.0858 6.0858 6.2465 6.2465 6.8498 6.8498 6.9587 6.9587 7.7021 7.7021 7.9686 7.9686 8.1033 8.1033 8.8032 8.8032 9.3812 9.3812 9.5895 9.5895 9.9477 9.9477 10.9127 10.9127 11.1563 11.1563 k = 0.0000 0.2087 0.1992 ( 7102 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3916 -28.3916 -28.3851 -28.3851 -20.7175 -20.7175 -20.6948 -20.6948 -20.6487 -20.6487 -20.6344 -20.6344 -6.7245 -6.7245 -6.6842 -6.6842 -5.0356 -5.0356 -4.3118 -4.3118 -3.6461 -3.6461 -3.4156 -3.4156 2.4138 2.4138 3.3889 3.3889 3.5263 3.5263 3.9825 3.9825 4.3322 4.3322 4.8900 4.8900 4.9834 4.9834 5.4411 5.4411 5.9293 5.9293 6.0727 6.0727 6.2158 6.2158 6.8173 6.8173 6.9507 6.9507 7.6910 7.6910 7.9481 7.9481 8.0796 8.0796 8.8020 8.8020 9.2870 9.2870 9.5403 9.5403 9.8128 9.8128 10.8234 10.8234 11.1292 11.1292 k = 0.0000 0.2203 0.1992 ( 7095 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3916 -28.3916 -28.3851 -28.3851 -20.7174 -20.7174 -20.6950 -20.6950 -20.6486 -20.6486 -20.6346 -20.6346 -6.7061 -6.7061 -6.6674 -6.6674 -5.0317 -5.0317 -4.3312 -4.3312 -3.6828 -3.6828 -3.4562 -3.4562 2.4419 2.4419 3.4600 3.4600 3.6123 3.6123 3.9896 3.9896 4.4335 4.4335 4.8982 4.8982 4.9887 4.9887 5.4453 5.4453 5.8987 5.8987 6.0558 6.0558 6.1982 6.1982 6.7852 6.7852 6.9457 6.9457 7.6790 7.6790 7.9288 7.9288 8.0561 8.0561 8.7849 8.7849 9.1930 9.1930 9.4728 9.4728 9.7145 9.7145 10.7241 10.7241 11.1175 11.1175 k = 0.0000 0.2319 0.1992 ( 7098 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3916 -28.3916 -28.3852 -28.3852 -20.7173 -20.7173 -20.6952 -20.6952 -20.6486 -20.6486 -20.6347 -20.6347 -6.6882 -6.6882 -6.6511 -6.6511 -5.0287 -5.0287 -4.3499 -4.3499 -3.7155 -3.7155 -3.4960 -3.4960 2.4730 2.4730 3.5017 3.5017 3.6903 3.6903 4.0262 4.0262 4.5408 4.5408 4.9061 4.9061 4.9939 4.9939 5.4445 5.4445 5.8625 5.8625 6.0383 6.0383 6.1917 6.1917 6.7539 6.7539 6.9421 6.9421 7.6659 7.6659 7.9107 7.9107 8.0329 8.0329 8.7451 8.7451 9.1063 9.1063 9.3840 9.3840 9.6599 9.6599 10.6234 10.6234 11.1141 11.1141 k = 0.0000 0.2434 0.1992 ( 7097 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3915 -28.3915 -28.3852 -28.3852 -20.7172 -20.7172 -20.6954 -20.6954 -20.6486 -20.6486 -20.6349 -20.6349 -6.6710 -6.6710 -6.6353 -6.6353 -5.0267 -5.0267 -4.3678 -4.3678 -3.7437 -3.7437 -3.5347 -3.5347 2.5070 2.5070 3.5084 3.5084 3.7642 3.7642 4.0940 4.0940 4.6511 4.6511 4.9136 4.9136 4.9987 4.9987 5.4368 5.4368 5.8248 5.8248 6.0228 6.0228 6.1924 6.1924 6.7238 6.7238 6.9385 6.9385 7.6507 7.6507 7.8936 7.8936 8.0099 8.0099 8.6811 8.6811 9.0210 9.0210 9.3038 9.3038 9.6313 9.6313 10.5257 10.5257 11.1154 11.1154 k = 0.0000 0.2550 0.1992 ( 7094 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3915 -28.3915 -28.3852 -28.3852 -20.7171 -20.7171 -20.6955 -20.6955 -20.6486 -20.6486 -20.6350 -20.6350 -6.6551 -6.6551 -6.6202 -6.6202 -5.0255 -5.0255 -4.3849 -4.3849 -3.7669 -3.7669 -3.5722 -3.5722 2.5439 2.5439 3.4871 3.4871 3.8371 3.8371 4.1821 4.1821 4.7621 4.7621 4.9206 4.9206 5.0033 5.0033 5.4208 5.4208 5.7899 5.7899 6.0102 6.0102 6.1980 6.1980 6.6951 6.6951 6.9340 6.9340 7.6326 7.6326 7.8780 7.8780 7.9873 7.9873 8.6002 8.6002 8.9258 8.9258 9.2560 9.2560 9.6138 9.6138 10.4331 10.4331 11.1195 11.1195 k = 0.0000 0.2666 0.1992 ( 7102 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3915 -28.3915 -28.3853 -28.3853 -20.7170 -20.7170 -20.6957 -20.6957 -20.6486 -20.6486 -20.6351 -20.6351 -6.6408 -6.6408 -6.6057 -6.6057 -5.0248 -5.0248 -4.4011 -4.4011 -3.7849 -3.7849 -3.6081 -3.6081 2.5836 2.5836 3.4482 3.4482 3.9083 3.9083 4.2788 4.2788 4.8704 4.8704 4.9274 4.9274 5.0080 5.0080 5.3961 5.3961 5.7602 5.7602 6.0012 6.0012 6.2066 6.2066 6.6682 6.6682 6.9280 6.9280 7.6101 7.6101 7.8643 7.8643 7.9649 7.9649 8.5127 8.5127 8.8233 8.8233 9.2390 9.2390 9.6010 9.6010 10.3471 10.3471 11.1251 11.1251 k = 0.0000 0.2782 0.1992 ( 7100 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3915 -28.3915 -28.3853 -28.3853 -20.7169 -20.7169 -20.6959 -20.6959 -20.6486 -20.6486 -20.6352 -20.6352 -6.6286 -6.6286 -6.5918 -6.5918 -5.0246 -5.0246 -4.4163 -4.4163 -3.7973 -3.7973 -3.6424 -3.6424 2.6258 2.6258 3.3994 3.3994 3.9768 3.9768 4.3755 4.3755 4.9296 4.9296 4.9741 4.9741 5.0162 5.0162 5.3645 5.3645 5.7358 5.7358 5.9960 5.9960 6.2174 6.2174 6.6435 6.6435 6.9202 6.9202 7.5822 7.5822 7.8533 7.8533 7.9426 7.9426 8.4268 8.4268 8.7247 8.7247 9.2410 9.2410 9.5902 9.5902 10.2688 10.2688 11.1315 11.1315 k = 0.0000 0.2898 0.1992 ( 7103 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3915 -28.3915 -28.3853 -28.3853 -20.7168 -20.7168 -20.6960 -20.6960 -20.6486 -20.6486 -20.6354 -20.6354 -6.6188 -6.6188 -6.5788 -6.5788 -5.0245 -5.0245 -4.4304 -4.4304 -3.8042 -3.8042 -3.6746 -3.6746 2.6704 2.6704 3.3450 3.3450 4.0412 4.0412 4.4661 4.4661 4.9349 4.9349 5.0095 5.0095 5.0804 5.0804 5.3293 5.3293 5.7151 5.7151 5.9949 5.9949 6.2297 6.2297 6.6215 6.6215 6.9112 6.9112 7.5486 7.5486 7.8459 7.8459 7.9204 7.9204 8.3477 8.3477 8.6386 8.6386 9.2536 9.2536 9.5803 9.5803 10.1993 10.1993 11.1378 11.1378 k = 0.0000 0.3014 0.1992 ( 7109 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3915 -28.3915 -28.3854 -28.3854 -20.7167 -20.7167 -20.6961 -20.6961 -20.6486 -20.6486 -20.6355 -20.6355 -6.6118 -6.6118 -6.5667 -6.5667 -5.0242 -5.0242 -4.4432 -4.4432 -3.8057 -3.8057 -3.7046 -3.7046 2.7169 2.7169 3.2875 3.2875 4.1000 4.1000 4.5459 4.5459 4.9382 4.9382 5.0141 5.0141 5.1632 5.1632 5.2950 5.2950 5.6964 5.6964 5.9976 5.9976 6.2429 6.2429 6.6028 6.6028 6.9020 6.9020 7.5110 7.5110 7.8424 7.8424 7.8987 7.8987 8.2788 8.2788 8.5697 8.5697 9.2717 9.2717 9.5702 9.5702 10.1398 10.1398 11.1432 11.1432 k = 0.0000 0.3130 0.1992 ( 7114 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3915 -28.3915 -28.3854 -28.3854 -20.7167 -20.7167 -20.6962 -20.6962 -20.6485 -20.6485 -20.6356 -20.6356 -6.6075 -6.6075 -6.5558 -6.5558 -5.0237 -5.0237 -4.4544 -4.4544 -3.8022 -3.8022 -3.7318 -3.7318 2.7648 2.7648 3.2287 3.2287 4.1518 4.1518 4.6108 4.6108 4.9404 4.9404 5.0169 5.0169 5.2206 5.2206 5.2752 5.2752 5.6784 5.6784 6.0036 6.0036 6.2567 6.2567 6.5880 6.5880 6.8942 6.8942 7.4724 7.4724 7.8424 7.8424 7.8786 7.8786 8.2224 8.2224 8.5198 8.5198 9.2922 9.2922 9.5596 9.5596 10.0914 10.0914 11.1469 11.1469 k = 0.0000 0.3246 0.1992 ( 7122 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3915 -28.3915 -28.3855 -28.3855 -20.7167 -20.7167 -20.6963 -20.6963 -20.6486 -20.6486 -20.6357 -20.6357 -6.6061 -6.6061 -6.5464 -6.5464 -5.0227 -5.0227 -4.4637 -4.4637 -3.7946 -3.7946 -3.7553 -3.7553 2.8135 2.8135 3.1702 3.1702 4.1944 4.1944 4.6579 4.6579 4.9416 4.9416 5.0190 5.0190 5.2165 5.2165 5.3026 5.3026 5.6609 5.6609 6.0118 6.0118 6.2707 6.2707 6.5777 6.5777 6.8901 6.8901 7.4375 7.4375 7.8414 7.8414 7.8651 7.8651 8.1798 8.1798 8.4890 8.4890 9.3129 9.3129 9.5484 9.5484 10.0555 10.0555 11.1482 11.1482 k = 0.0000 0.3246 0.1992 ( 7122 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3915 -28.3915 -28.3855 -28.3855 -20.7167 -20.7167 -20.6963 -20.6963 -20.6486 -20.6486 -20.6357 -20.6357 -6.6061 -6.6061 -6.5464 -6.5464 -5.0227 -5.0227 -4.4637 -4.4637 -3.7946 -3.7946 -3.7553 -3.7553 2.8135 2.8135 3.1702 3.1702 4.1944 4.1944 4.6579 4.6579 4.9416 4.9416 5.0190 5.0190 5.2165 5.2165 5.3026 5.3026 5.6609 5.6609 6.0118 6.0118 6.2707 6.2707 6.5777 6.5777 6.8901 6.8901 7.4375 7.4375 7.8414 7.8414 7.8651 7.8651 8.1798 8.1798 8.4890 8.4890 9.3129 9.3129 9.5484 9.5484 10.0555 10.0555 11.1482 11.1482 k = 0.0000 0.3287 0.1898 ( 7117 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3914 -28.3914 -28.3855 -28.3855 -20.7166 -20.7166 -20.6963 -20.6963 -20.6485 -20.6485 -20.6357 -20.6357 -6.6077 -6.6077 -6.5417 -6.5417 -5.0223 -5.0223 -4.4702 -4.4702 -3.7918 -3.7918 -3.7577 -3.7577 2.8330 2.8330 3.1278 3.1278 4.2139 4.2139 4.6684 4.6684 4.9406 4.9406 5.0203 5.0203 5.2295 5.2295 5.3165 5.3165 5.6693 5.6693 6.0269 6.0269 6.2940 6.2940 6.5818 6.5818 6.8568 6.8568 7.4005 7.4005 7.8307 7.8307 7.8594 7.8594 8.1782 8.1782 8.4587 8.4587 9.3272 9.3272 9.5366 9.5366 10.0547 10.0547 11.1535 11.1535 k = 0.0000 0.3329 0.1803 ( 7120 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3914 -28.3914 -28.3855 -28.3855 -20.7166 -20.7166 -20.6963 -20.6963 -20.6485 -20.6485 -20.6357 -20.6357 -6.6090 -6.6090 -6.5379 -6.5379 -5.0218 -5.0218 -4.4755 -4.4755 -3.7889 -3.7889 -3.7601 -3.7601 2.8544 2.8544 3.0882 3.0882 4.2296 4.2296 4.6763 4.6763 4.9400 4.9400 5.0213 5.0213 5.2395 5.2395 5.3269 5.3269 5.6783 5.6783 6.0379 6.0379 6.3129 6.3129 6.5854 6.5854 6.8319 6.8319 7.3683 7.3683 7.8220 7.8220 7.8551 7.8551 8.1786 8.1786 8.4328 8.4328 9.3401 9.3401 9.5256 9.5256 10.0543 10.0543 11.1576 11.1576 k = 0.0000 0.3371 0.1709 ( 7121 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3914 -28.3914 -28.3855 -28.3855 -20.7166 -20.7166 -20.6963 -20.6963 -20.6486 -20.6486 -20.6357 -20.6357 -6.6100 -6.6100 -6.5352 -6.5352 -5.0214 -5.0214 -4.4795 -4.4795 -3.7862 -3.7862 -3.7624 -3.7624 2.8764 2.8764 3.0529 3.0529 4.2411 4.2411 4.6819 4.6819 4.9395 4.9395 5.0219 5.0219 5.2467 5.2467 5.3341 5.3341 5.6864 5.6864 6.0454 6.0454 6.3263 6.3263 6.5883 6.5883 6.8154 6.8154 7.3431 7.3431 7.8157 7.8157 7.8520 7.8520 8.1803 8.1803 8.4127 8.4127 9.3507 9.3507 9.5165 9.5165 10.0541 10.0541 11.1606 11.1606 k = 0.0000 0.3412 0.1615 ( 7114 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3914 -28.3914 -28.3855 -28.3855 -20.7166 -20.7166 -20.6963 -20.6963 -20.6485 -20.6485 -20.6357 -20.6357 -6.6105 -6.6105 -6.5336 -6.5336 -5.0212 -5.0212 -4.4820 -4.4820 -3.7842 -3.7842 -3.7641 -3.7641 2.8958 2.8958 3.0255 3.0255 4.2481 4.2481 4.6851 4.6851 4.9393 4.9393 5.0223 5.0223 5.2510 5.2510 5.3382 5.3382 5.6920 5.6920 6.0497 6.0497 6.3341 6.3341 6.5900 6.5900 6.8063 6.8063 7.3268 7.3268 7.8118 7.8118 7.8502 7.8502 8.1820 8.1820 8.3998 8.3998 9.3578 9.3578 9.5102 9.5102 10.0540 10.0540 11.1623 11.1623 k = 0.0000 0.3454 0.1520 ( 7114 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3914 -28.3914 -28.3855 -28.3855 -20.7166 -20.7166 -20.6963 -20.6963 -20.6485 -20.6485 -20.6357 -20.6357 -6.6107 -6.6107 -6.5330 -6.5330 -5.0211 -5.0211 -4.4828 -4.4828 -3.7834 -3.7834 -3.7647 -3.7647 2.9045 2.9045 3.0141 3.0141 4.2505 4.2505 4.6862 4.6862 4.9392 4.9392 5.0224 5.0224 5.2524 5.2524 5.3396 5.3396 5.6940 5.6940 6.0511 6.0511 6.3366 6.3366 6.5906 6.5906 6.8035 6.8035 7.3212 7.3212 7.8105 7.8105 7.8496 7.8496 8.1828 8.1828 8.3953 8.3953 9.3603 9.3603 9.5080 9.5080 10.0540 10.0540 11.1629 11.1629 k = 0.0000 0.3454 0.1520 ( 7114 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3914 -28.3914 -28.3855 -28.3855 -20.7166 -20.7166 -20.6963 -20.6963 -20.6485 -20.6485 -20.6357 -20.6357 -6.6107 -6.6107 -6.5330 -6.5330 -5.0211 -5.0211 -4.4828 -4.4828 -3.7834 -3.7834 -3.7647 -3.7647 2.9045 2.9045 3.0141 3.0141 4.2505 4.2505 4.6862 4.6862 4.9392 4.9392 5.0224 5.0224 5.2524 5.2524 5.3396 5.3396 5.6940 5.6940 6.0511 6.0511 6.3366 6.3366 6.5906 6.5906 6.8035 6.8035 7.3212 7.3212 7.8105 7.8105 7.8496 7.8496 8.1828 8.1828 8.3953 8.3953 9.3603 9.3603 9.5080 9.5080 10.0540 10.0540 11.1629 11.1629 k = 0.0116 0.3454 0.1520 ( 7112 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3914 -28.3914 -28.3856 -28.3856 -20.7166 -20.7166 -20.6964 -20.6964 -20.6486 -20.6486 -20.6358 -20.6358 -6.6102 -6.6102 -6.5325 -6.5325 -5.0204 -5.0204 -4.4825 -4.4825 -3.7832 -3.7832 -3.7645 -3.7645 2.9057 2.9057 3.0155 3.0155 4.2506 4.2506 4.6856 4.6856 4.9360 4.9360 5.0172 5.0172 5.2526 5.2526 5.3398 5.3398 5.6857 5.6857 6.0568 6.0568 6.3360 6.3360 6.5719 6.5719 6.8188 6.8188 7.3215 7.3215 7.8035 7.8035 7.8458 7.8458 8.1844 8.1844 8.3984 8.3984 9.3666 9.3666 9.5131 9.5131 10.0549 10.0549 11.1514 11.1514 k = 0.0233 0.3454 0.1520 ( 7102 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3914 -28.3914 -28.3856 -28.3856 -20.7167 -20.7167 -20.6964 -20.6964 -20.6488 -20.6488 -20.6359 -20.6359 -6.6085 -6.6085 -6.5309 -6.5309 -5.0183 -5.0183 -4.4814 -4.4814 -3.7826 -3.7826 -3.7638 -3.7638 2.9095 2.9095 3.0197 3.0197 4.2508 4.2508 4.6838 4.6838 4.9268 4.9268 5.0024 5.0024 5.2519 5.2519 5.3402 5.3402 5.6632 5.6632 6.0718 6.0718 6.3337 6.3337 6.5275 6.5275 6.8533 6.8533 7.3222 7.3222 7.7837 7.7837 7.8343 7.8343 8.1894 8.1894 8.4071 8.4071 9.3853 9.3853 9.5280 9.5280 10.0576 10.0576 11.1284 11.1284 k = 0.0349 0.3454 0.1520 ( 7106 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3916 -28.3916 -28.3856 -28.3856 -20.7168 -20.7168 -20.6966 -20.6966 -20.6492 -20.6492 -20.6361 -20.6361 -6.6058 -6.6058 -6.5284 -6.5284 -5.0148 -5.0148 -4.4797 -4.4797 -3.7817 -3.7817 -3.7627 -3.7627 2.9157 2.9157 3.0266 3.0266 4.2510 4.2510 4.6802 4.6802 4.9118 4.9118 4.9803 4.9803 5.2477 5.2477 5.3399 5.3399 5.6325 5.6325 6.0914 6.0914 6.3277 6.3277 6.4743 6.4743 6.8927 6.8927 7.3233 7.3233 7.7532 7.7532 7.8157 7.8157 8.1981 8.1981 8.4199 8.4199 9.4155 9.4155 9.5518 9.5518 10.0620 10.0620 11.1007 11.1007 k = 0.0465 0.3454 0.1520 ( 7108 PWs) bands (ev): -54.0761 -54.0761 -54.0752 -54.0752 -28.3917 -28.3917 -28.3858 -28.3858 -20.7170 -20.7170 -20.6969 -20.6969 -20.6497 -20.6497 -20.6365 -20.6365 -6.6020 -6.6020 -6.5248 -6.5248 -5.0099 -5.0099 -4.4773 -4.4773 -3.7804 -3.7804 -3.7612 -3.7612 2.9244 2.9244 3.0362 3.0362 4.2512 4.2512 4.6740 4.6740 4.8916 4.8916 4.9537 4.9537 5.2369 5.2369 5.3376 5.3376 5.5998 5.5998 6.1111 6.1111 6.3120 6.3120 6.4256 6.4256 6.9300 6.9300 7.3248 7.3248 7.7143 7.7143 7.7916 7.7916 8.2106 8.2106 8.4351 8.4351 9.4562 9.4562 9.5832 9.5832 10.0678 10.0678 11.0697 11.0697 k = 0.0581 0.3454 0.1520 ( 7112 PWs) bands (ev): -54.0761 -54.0761 -54.0752 -54.0752 -28.3919 -28.3919 -28.3859 -28.3859 -20.7173 -20.7173 -20.6972 -20.6972 -20.6504 -20.6504 -20.6369 -20.6369 -6.5972 -6.5972 -6.5203 -6.5203 -5.0037 -5.0037 -4.4741 -4.4741 -3.7788 -3.7788 -3.7593 -3.7593 2.9355 2.9355 3.0484 3.0484 4.2512 4.2512 4.6641 4.6641 4.8668 4.8668 4.9253 4.9253 5.2167 5.2167 5.3314 5.3314 5.5704 5.5704 6.1266 6.1266 6.2777 6.2777 6.3948 6.3948 6.9623 6.9623 7.3267 7.3267 7.6692 7.6692 7.7645 7.7645 8.2270 8.2270 8.4510 8.4510 9.5058 9.5058 9.6209 9.6209 10.0747 10.0747 11.0362 11.0362 k = 0.0698 0.3454 0.1520 ( 7104 PWs) bands (ev): -54.0761 -54.0761 -54.0752 -54.0752 -28.3920 -28.3920 -28.3861 -28.3861 -20.7176 -20.7176 -20.6977 -20.6977 -20.6511 -20.6511 -20.6374 -20.6374 -6.5913 -6.5913 -6.5148 -6.5148 -4.9961 -4.9961 -4.4704 -4.4704 -3.7768 -3.7768 -3.7569 -3.7569 2.9488 2.9488 3.0633 3.0633 4.2507 4.2507 4.6485 4.6485 4.8379 4.8379 4.8977 4.8977 5.1861 5.1861 5.3204 5.3204 5.5473 5.5473 6.1329 6.1329 6.2300 6.2300 6.3818 6.3818 6.9884 6.9884 7.3285 7.3285 7.6197 7.6197 7.7370 7.7370 8.2467 8.2467 8.4665 8.4665 9.5625 9.5625 9.6633 9.6633 10.0825 10.0825 11.0010 11.0010 k = 0.0814 0.3454 0.1520 ( 7106 PWs) bands (ev): -54.0760 -54.0760 -54.0751 -54.0751 -28.3923 -28.3923 -28.3863 -28.3863 -20.7180 -20.7180 -20.6982 -20.6982 -20.6520 -20.6520 -20.6380 -20.6380 -6.5845 -6.5845 -6.5083 -6.5083 -4.9871 -4.9871 -4.4659 -4.4659 -3.7744 -3.7744 -3.7542 -3.7542 2.9644 2.9644 3.0806 3.0806 4.2494 4.2494 4.6257 4.6257 4.8050 4.8050 4.8734 4.8734 5.1460 5.1460 5.3044 5.3044 5.5303 5.5303 6.1186 6.1186 6.1896 6.1896 6.3773 6.3773 7.0077 7.0077 7.3299 7.3299 7.5678 7.5678 7.7111 7.7111 8.2693 8.2693 8.4807 8.4807 9.6244 9.6244 9.7093 9.7093 10.0907 10.0907 10.9655 10.9655 k = 0.0930 0.3454 0.1520 ( 7104 PWs) bands (ev): -54.0760 -54.0760 -54.0751 -54.0751 -28.3926 -28.3926 -28.3866 -28.3866 -20.7186 -20.7186 -20.6989 -20.6989 -20.6529 -20.6529 -20.6386 -20.6386 -6.5767 -6.5767 -6.5010 -6.5010 -4.9768 -4.9768 -4.4608 -4.4608 -3.7717 -3.7717 -3.7511 -3.7511 2.9820 2.9820 3.1003 3.1003 4.2470 4.2470 4.5941 4.5941 4.7690 4.7690 4.8529 4.8529 5.0996 5.0996 5.2837 5.2837 5.5172 5.5172 6.0767 6.0767 6.1688 6.1688 6.3763 6.3763 7.0209 7.0209 7.3298 7.3298 7.5158 7.5158 7.6883 7.6883 8.2943 8.2943 8.4929 8.4929 9.6892 9.6892 9.7580 9.7580 10.0988 10.0988 10.9309 10.9309 k = 0.1047 0.3454 0.1520 ( 7100 PWs) bands (ev): -54.0759 -54.0759 -54.0751 -54.0751 -28.3928 -28.3928 -28.3868 -28.3868 -20.7192 -20.7192 -20.6996 -20.6996 -20.6538 -20.6538 -20.6393 -20.6393 -6.5679 -6.5679 -6.4928 -6.4928 -4.9652 -4.9652 -4.4550 -4.4550 -3.7688 -3.7688 -3.7476 -3.7476 3.0014 3.0014 3.1223 3.1223 4.2429 4.2429 4.5536 4.5536 4.7303 4.7303 4.8352 4.8352 5.0516 5.0516 5.2585 5.2585 5.5050 5.5050 6.0252 6.0252 6.1519 6.1519 6.3768 6.3768 7.0289 7.0289 7.3256 7.3256 7.4671 7.4671 7.6692 7.6692 8.3212 8.3212 8.5026 8.5026 9.7545 9.7545 9.8090 9.8090 10.1067 10.1067 10.8987 10.8987 k = 0.1163 0.3454 0.1520 ( 7094 PWs) bands (ev): -54.0758 -54.0758 -54.0750 -54.0750 -28.3931 -28.3931 -28.3872 -28.3872 -20.7199 -20.7199 -20.7005 -20.7005 -20.6548 -20.6548 -20.6400 -20.6400 -6.5584 -6.5584 -6.4838 -6.4838 -4.9523 -4.9523 -4.4487 -4.4487 -3.7655 -3.7655 -3.7439 -3.7439 3.0225 3.0225 3.1462 3.1462 4.2367 4.2367 4.5049 4.5049 4.6898 4.6898 4.8170 4.8170 5.0074 5.0074 5.2292 5.2292 5.4912 5.4912 5.9750 5.9750 6.1296 6.1296 6.3778 6.3778 7.0331 7.0331 7.3124 7.3124 7.4274 7.4274 7.6535 7.6535 8.3494 8.3494 8.5095 8.5095 9.8173 9.8173 9.8621 9.8621 10.1143 10.1143 10.8706 10.8706 k = 0.1279 0.3454 0.1520 ( 7092 PWs) bands (ev): -54.0758 -54.0758 -54.0750 -54.0750 -28.3935 -28.3935 -28.3875 -28.3875 -20.7208 -20.7208 -20.7015 -20.7015 -20.6558 -20.6558 -20.6407 -20.6407 -6.5480 -6.5480 -6.4741 -6.4741 -4.9382 -4.9382 -4.4417 -4.4417 -3.7619 -3.7619 -3.7398 -3.7398 3.0450 3.0450 3.1720 3.1720 4.2276 4.2276 4.4491 4.4491 4.6480 4.6480 4.7937 4.7937 4.9725 4.9725 5.1967 5.1967 5.4741 5.4741 5.9288 5.9288 6.1004 6.1004 6.3785 6.3785 7.0351 7.0351 7.2850 7.2850 7.4028 7.4028 7.6407 7.6407 8.3785 8.3785 8.5134 8.5134 9.8751 9.8751 9.9166 9.9166 10.1222 10.1222 10.8481 10.8481 k = 0.1395 0.3454 0.1520 ( 7092 PWs) bands (ev): -54.0757 -54.0757 -54.0749 -54.0749 -28.3938 -28.3938 -28.3879 -28.3879 -20.7218 -20.7218 -20.7027 -20.7027 -20.6568 -20.6568 -20.6414 -20.6414 -6.5369 -6.5369 -6.4636 -6.4636 -4.9228 -4.9228 -4.4341 -4.4341 -3.7581 -3.7581 -3.7354 -3.7354 3.0685 3.0685 3.1992 3.1992 4.2149 4.2149 4.3879 4.3879 4.6054 4.6054 4.7627 4.7627 4.9505 4.9505 5.1622 5.1622 5.4523 5.4523 5.8870 5.8870 6.0650 6.0650 6.3784 6.3784 7.0359 7.0359 7.2460 7.2460 7.3910 7.3910 7.6297 7.6297 8.4080 8.4080 8.5142 8.5142 9.9275 9.9275 9.9687 9.9687 10.1320 10.1320 10.8328 10.8328 k = 0.1512 0.3454 0.1520 ( 7096 PWs) bands (ev): -54.0756 -54.0756 -54.0748 -54.0748 -28.3942 -28.3942 -28.3883 -28.3883 -20.7230 -20.7230 -20.7040 -20.7040 -20.6578 -20.6578 -20.6421 -20.6421 -6.5250 -6.5250 -6.4525 -6.4525 -4.9062 -4.9062 -4.4260 -4.4260 -3.7541 -3.7541 -3.7309 -3.7309 3.0926 3.0926 3.2274 3.2274 4.1973 4.1973 4.3233 4.3233 4.5624 4.5624 4.7249 4.7249 4.9404 4.9404 5.1270 5.1270 5.4253 5.4253 5.8485 5.8485 6.0253 6.0253 6.3769 6.3769 7.0362 7.0362 7.2027 7.2027 7.3853 7.3853 7.6195 7.6195 8.4373 8.4373 8.5123 8.5123 9.9745 9.9745 10.0128 10.0128 10.1472 10.1472 10.8263 10.8263 k = 0.1628 0.3454 0.1520 ( 7098 PWs) bands (ev): -54.0755 -54.0755 -54.0748 -54.0748 -28.3946 -28.3946 -28.3887 -28.3887 -20.7243 -20.7243 -20.7055 -20.7055 -20.6586 -20.6586 -20.6428 -20.6428 -6.5126 -6.5126 -6.4409 -6.4409 -4.8884 -4.8884 -4.4173 -4.4173 -3.7499 -3.7499 -3.7261 -3.7261 3.1167 3.1167 3.2560 3.2560 4.1726 4.1726 4.2587 4.2587 4.5196 4.5196 4.6839 4.6839 4.9388 4.9388 5.0930 5.0930 5.3927 5.3927 5.8108 5.8108 5.9845 5.9845 6.3738 6.3738 7.0357 7.0357 7.1604 7.1604 7.3816 7.3816 7.6089 7.6089 8.4649 8.4649 8.5091 8.5091 10.0121 10.0121 10.0478 10.0478 10.1714 10.1714 10.8295 10.8295 k = 0.1744 0.3454 0.1520 ( 7090 PWs) bands (ev): -54.0755 -54.0755 -54.0747 -54.0747 -28.3950 -28.3950 -28.3892 -28.3892 -20.7258 -20.7258 -20.7071 -20.7071 -20.6593 -20.6593 -20.6433 -20.6433 -6.4996 -6.4996 -6.4287 -6.4287 -4.8695 -4.8695 -4.4081 -4.4081 -3.7455 -3.7455 -3.7211 -3.7211 3.1401 3.1401 3.2841 3.2841 4.1354 4.1354 4.2014 4.2014 4.4775 4.4775 4.6423 4.6423 4.9425 4.9425 5.0615 5.0615 5.3549 5.3549 5.7705 5.7705 5.9462 5.9462 6.3689 6.3689 7.0322 7.0322 7.1232 7.1232 7.3779 7.3779 7.5970 7.5970 8.4828 8.4828 8.5129 8.5129 10.0305 10.0305 10.0838 10.0838 10.2033 10.2033 10.8433 10.8433 k = 0.1860 0.3454 0.1520 ( 7088 PWs) bands (ev): -54.0754 -54.0754 -54.0746 -54.0746 -28.3954 -28.3954 -28.3897 -28.3897 -20.7274 -20.7274 -20.7089 -20.7089 -20.6600 -20.6600 -20.6439 -20.6439 -6.4861 -6.4861 -6.4161 -6.4161 -4.8495 -4.8495 -4.3984 -4.3984 -3.7410 -3.7410 -3.7160 -3.7160 3.1619 3.1619 3.3105 3.3105 4.0817 4.0817 4.1579 4.1579 4.4367 4.4367 4.6019 4.6019 4.9494 4.9494 5.0336 5.0336 5.3123 5.3123 5.7244 5.7244 5.9140 5.9140 6.3621 6.3621 7.0203 7.0203 7.0971 7.0971 7.3736 7.3736 7.5829 7.5829 8.4803 8.4803 8.5348 8.5348 10.0328 10.0328 10.1228 10.1228 10.2382 10.2382 10.8671 10.8671 k = 0.1977 0.3454 0.1520 ( 7080 PWs) bands (ev): -54.0753 -54.0753 -54.0746 -54.0746 -28.3958 -28.3958 -28.3901 -28.3901 -20.7291 -20.7291 -20.7109 -20.7109 -20.6605 -20.6605 -20.6444 -20.6444 -6.4722 -6.4722 -6.4031 -6.4031 -4.8286 -4.8286 -4.3883 -4.3883 -3.7363 -3.7363 -3.7108 -3.7108 3.1808 3.1808 3.3333 3.3333 4.0206 4.0206 4.1227 4.1227 4.3976 4.3976 4.5634 4.5634 4.9576 4.9576 5.0107 5.0107 5.2656 5.2656 5.6712 5.6712 5.8895 5.8895 6.3533 6.3533 6.9957 6.9957 7.0864 7.0864 7.3680 7.3680 7.5660 7.5660 8.4705 8.4705 8.5623 8.5623 10.0269 10.0269 10.1606 10.1606 10.2732 10.2732 10.8998 10.8998 k = 0.2093 0.3454 0.1520 ( 7074 PWs) bands (ev): -54.0752 -54.0752 -54.0745 -54.0745 -28.3962 -28.3962 -28.3906 -28.3906 -20.7310 -20.7310 -20.7131 -20.7131 -20.6609 -20.6609 -20.6448 -20.6448 -6.4579 -6.4579 -6.3898 -6.3898 -4.8066 -4.8066 -4.3778 -4.3778 -3.7316 -3.7316 -3.7056 -3.7056 3.1954 3.1954 3.3499 3.3499 3.9624 3.9624 4.0908 4.0908 4.3605 4.3605 4.5274 4.5274 4.9634 4.9634 4.9953 4.9953 5.2158 5.2158 5.6121 5.6121 5.8720 5.8720 6.3425 6.3425 6.9636 6.9636 7.0857 7.0857 7.3610 7.3610 7.5457 7.5457 8.4591 8.4591 8.5904 8.5904 10.0166 10.0166 10.1954 10.1954 10.3085 10.3085 10.9393 10.9393 k = 0.2209 0.3454 0.1520 ( 7066 PWs) bands (ev): -54.0751 -54.0751 -54.0744 -54.0744 -28.3966 -28.3966 -28.3911 -28.3911 -20.7331 -20.7331 -20.7154 -20.7154 -20.6611 -20.6611 -20.6452 -20.6452 -6.4434 -6.4434 -6.3763 -6.3763 -4.7837 -4.7837 -4.3669 -4.3669 -3.7269 -3.7269 -3.7003 -3.7003 3.2041 3.2041 3.3565 3.3565 3.9133 3.9133 4.0624 4.0624 4.3256 4.3256 4.4939 4.4939 4.9585 4.9585 4.9948 4.9948 5.1640 5.1640 5.5493 5.5493 5.8597 5.8597 6.3297 6.3297 6.9294 6.9294 7.0891 7.0891 7.3523 7.3523 7.5217 7.5217 8.4476 8.4476 8.6183 8.6183 10.0038 10.0038 10.2268 10.2268 10.3449 10.3449 10.9834 10.9834 k = 0.2326 0.3454 0.1520 ( 7062 PWs) bands (ev): -54.0750 -54.0750 -54.0743 -54.0743 -28.3970 -28.3970 -28.3917 -28.3917 -20.7352 -20.7352 -20.7178 -20.7178 -20.6612 -20.6612 -20.6455 -20.6455 -6.4286 -6.4286 -6.3627 -6.3627 -4.7601 -4.7601 -4.3557 -4.3557 -3.7222 -3.7222 -3.6951 -3.6951 3.2051 3.2051 3.3495 3.3495 3.8783 3.8783 4.0392 4.0392 4.2930 4.2930 4.4632 4.4632 4.9455 4.9455 5.0044 5.0044 5.1114 5.1114 5.4853 5.4853 5.8511 5.8511 6.3150 6.3150 6.8952 6.8952 7.0942 7.0942 7.3418 7.3418 7.4938 7.4938 8.4368 8.4368 8.6457 8.6457 9.9896 9.9896 10.2552 10.2552 10.3832 10.3832 11.0294 11.0294 k = 0.2442 0.3454 0.1520 ( 7078 PWs) bands (ev): -54.0749 -54.0749 -54.0743 -54.0743 -28.3976 -28.3976 -28.3923 -28.3923 -20.7375 -20.7375 -20.7204 -20.7204 -20.6613 -20.6613 -20.6458 -20.6458 -6.4137 -6.4137 -6.3491 -6.3491 -4.7356 -4.7356 -4.3442 -4.3442 -3.7175 -3.7175 -3.6900 -3.6900 3.1970 3.1970 3.3263 3.3263 3.8602 3.8602 4.0233 4.0233 4.2627 4.2627 4.4356 4.4356 4.9292 4.9292 5.0162 5.0162 5.0607 5.0607 5.4222 5.4222 5.8451 5.8451 6.2983 6.2983 6.8617 6.8617 7.0997 7.0997 7.3292 7.3292 7.4621 7.4621 8.4276 8.4276 8.6722 8.6722 9.9751 9.9751 10.2817 10.2817 10.4233 10.4233 11.0752 11.0752 k = 0.2558 0.3454 0.1520 ( 7086 PWs) bands (ev): -54.0748 -54.0748 -54.0742 -54.0742 -28.3980 -28.3980 -28.3929 -28.3929 -20.7398 -20.7398 -20.7232 -20.7232 -20.6612 -20.6612 -20.6460 -20.6460 -6.3988 -6.3988 -6.3354 -6.3354 -4.7105 -4.7105 -4.3326 -4.3326 -3.7128 -3.7128 -3.6849 -3.6849 3.1789 3.1789 3.2877 3.2877 3.8585 3.8585 4.0163 4.0163 4.2349 4.2349 4.4111 4.4111 4.9077 4.9077 5.0079 5.0079 5.0345 5.0345 5.3622 5.3622 5.8407 5.8407 6.2798 6.2798 6.8292 6.8292 7.1049 7.1049 7.3143 7.3143 7.4271 7.4271 8.4203 8.4203 8.6979 8.6979 9.9609 9.9609 10.3075 10.3075 10.4651 10.4651 11.1183 11.1183 k = 0.2674 0.3454 0.1520 ( 7100 PWs) bands (ev): -54.0747 -54.0747 -54.0741 -54.0741 -28.3985 -28.3985 -28.3935 -28.3935 -20.7422 -20.7422 -20.7260 -20.7260 -20.6609 -20.6609 -20.6462 -20.6462 -6.3839 -6.3839 -6.3219 -6.3219 -4.6847 -4.6847 -4.3208 -4.3208 -3.7083 -3.7083 -3.6801 -3.6801 3.1510 3.1510 3.2371 3.2371 3.8697 3.8697 4.0184 4.0184 4.2100 4.2100 4.3901 4.3901 4.8771 4.8771 4.9685 4.9685 5.0462 5.0462 5.3080 5.3080 5.8375 5.8375 6.2596 6.2596 6.7977 6.7977 7.1095 7.1095 7.2967 7.2967 7.3896 7.3896 8.4154 8.4154 8.7225 8.7225 9.9477 9.9477 10.3337 10.3337 10.5083 10.5083 11.1565 11.1565 k = 0.2791 0.3454 0.1520 ( 7100 PWs) bands (ev): -54.0746 -54.0746 -54.0740 -54.0740 -28.3989 -28.3989 -28.3941 -28.3941 -20.7446 -20.7446 -20.7288 -20.7288 -20.6606 -20.6606 -20.6463 -20.6463 -6.3691 -6.3691 -6.3087 -6.3087 -4.6585 -4.6585 -4.3089 -4.3089 -3.7040 -3.7040 -3.6754 -3.6754 3.1143 3.1143 3.1786 3.1786 3.8892 3.8892 4.0283 4.0283 4.1888 4.1888 4.3730 4.3730 4.8368 4.8368 4.9328 4.9328 5.0595 5.0595 5.2620 5.2620 5.8349 5.8349 6.2378 6.2378 6.7673 6.7673 7.1130 7.1130 7.2754 7.2754 7.3511 7.3511 8.4129 8.4129 8.7457 8.7457 9.9361 9.9361 10.3611 10.3611 10.5527 10.5527 11.1877 11.1877 k = 0.2907 0.3454 0.1520 ( 7094 PWs) bands (ev): -54.0745 -54.0745 -54.0740 -54.0740 -28.3993 -28.3993 -28.3946 -28.3946 -20.7469 -20.7469 -20.7317 -20.7317 -20.6602 -20.6602 -20.6464 -20.6464 -6.3544 -6.3544 -6.2957 -6.2957 -4.6319 -4.6319 -4.2970 -4.2970 -3.6998 -3.6998 -3.6710 -3.6710 3.0704 3.0704 3.1157 3.1157 3.9130 3.9130 4.0432 4.0432 4.1733 4.1733 4.3601 4.3601 4.7910 4.7910 4.8972 4.8972 5.0725 5.0725 5.2264 5.2264 5.8326 5.8326 6.2145 6.2145 6.7379 6.7379 7.1152 7.1152 7.2487 7.2487 7.3142 7.3142 8.4129 8.4129 8.7674 8.7674 9.9267 9.9267 10.3903 10.3903 10.5984 10.5984 11.2099 11.2099 k = 0.3023 0.3454 0.1520 ( 7096 PWs) bands (ev): -54.0744 -54.0744 -54.0739 -54.0739 -28.3997 -28.3997 -28.3952 -28.3952 -20.7493 -20.7493 -20.7346 -20.7346 -20.6597 -20.6597 -20.6465 -20.6465 -6.3400 -6.3400 -6.2830 -6.2830 -4.6050 -4.6050 -4.2853 -4.2853 -3.6958 -3.6958 -3.6668 -3.6668 3.0211 3.0211 3.0509 3.0509 3.9377 3.9377 4.0575 4.0575 4.1676 4.1676 4.3519 4.3519 4.7441 4.7441 4.8576 4.8576 5.0848 5.0848 5.2019 5.2019 5.8304 5.8304 6.1900 6.1900 6.7096 6.7096 7.1156 7.1156 7.2146 7.2146 7.2818 7.2818 8.4155 8.4155 8.7873 8.7873 9.9198 9.9198 10.4216 10.4216 10.6451 10.6451 11.2218 11.2218 k = 0.3140 0.3454 0.1520 ( 7086 PWs) bands (ev): -54.0743 -54.0743 -54.0738 -54.0738 -28.4001 -28.4001 -28.3957 -28.3957 -20.7516 -20.7516 -20.7374 -20.7374 -20.6592 -20.6592 -20.6465 -20.6465 -6.3258 -6.3258 -6.2708 -6.2708 -4.5779 -4.5779 -4.2738 -4.2738 -3.6920 -3.6920 -3.6630 -3.6630 2.9679 2.9679 2.9863 2.9863 3.9608 3.9608 4.0638 4.0638 4.1774 4.1774 4.3486 4.3486 4.6991 4.6991 4.8134 4.8134 5.0963 5.0963 5.1875 5.1875 5.8281 5.8281 6.1644 6.1644 6.6822 6.6822 7.1132 7.1132 7.1745 7.1745 7.2542 7.2542 8.4204 8.4204 8.8051 8.8051 9.9160 9.9160 10.4551 10.4551 10.6931 10.6931 11.2232 11.2232 k = 0.3256 0.3454 0.1520 ( 7094 PWs) bands (ev): -54.0742 -54.0742 -54.0738 -54.0738 -28.4005 -28.4005 -28.3963 -28.3963 -20.7538 -20.7538 -20.7403 -20.7403 -20.6586 -20.6586 -20.6466 -20.6466 -6.3120 -6.3120 -6.2592 -6.2592 -4.5507 -4.5507 -4.2627 -4.2627 -3.6884 -3.6884 -3.6595 -3.6595 2.9119 2.9119 2.9236 2.9236 3.9802 3.9802 4.0608 4.0608 4.2027 4.2027 4.3498 4.3498 4.6584 4.6584 4.7660 4.7660 5.1068 5.1068 5.1809 5.1809 5.8255 5.8255 6.1381 6.1381 6.6559 6.6559 7.1024 7.1024 7.1369 7.1369 7.2297 7.2297 8.4275 8.4275 8.8205 8.8205 9.9156 9.9156 10.4906 10.4906 10.7421 10.7421 11.2150 11.2150 k = 0.3372 0.3454 0.1520 ( 7106 PWs) bands (ev): -54.0741 -54.0741 -54.0737 -54.0737 -28.4008 -28.4008 -28.3969 -28.3969 -20.7560 -20.7560 -20.7432 -20.7432 -20.6580 -20.6580 -20.6466 -20.6466 -6.2986 -6.2986 -6.2481 -6.2481 -4.5236 -4.5236 -4.2520 -4.2520 -3.6852 -3.6852 -3.6564 -3.6564 2.8537 2.8537 2.8644 2.8644 3.9946 3.9946 4.0532 4.0532 4.2369 4.2369 4.3543 4.3543 4.6240 4.6240 4.7180 4.7180 5.1164 5.1164 5.1797 5.1797 5.8225 5.8225 6.1113 6.1113 6.6305 6.6305 7.0671 7.0671 7.1198 7.1198 7.2071 7.2071 8.4368 8.4368 8.8331 8.8331 9.9189 9.9189 10.5278 10.5278 10.7922 10.7922 11.1991 11.1991 k = 0.3488 0.3454 0.1520 ( 7102 PWs) bands (ev): -54.0740 -54.0740 -54.0736 -54.0736 -28.4011 -28.4011 -28.3974 -28.3974 -20.7580 -20.7580 -20.7460 -20.7460 -20.6573 -20.6573 -20.6467 -20.6467 -6.2857 -6.2857 -6.2377 -6.2377 -4.4966 -4.4966 -4.2418 -4.2418 -3.6821 -3.6821 -3.6537 -3.6537 2.7955 2.7955 2.8083 2.8083 4.0034 4.0034 4.0449 4.0449 4.2734 4.2734 4.3608 4.3608 4.5979 4.5979 4.6725 4.6725 5.1253 5.1253 5.1819 5.1819 5.8190 5.8190 6.0841 6.0841 6.6061 6.6061 7.0199 7.0199 7.1121 7.1121 7.1858 7.1858 8.4479 8.4479 8.8428 8.8428 9.9261 9.9261 10.5659 10.5659 10.8432 10.8432 11.1779 11.1779 k = 0.3605 0.3454 0.1520 ( 7094 PWs) bands (ev): -54.0740 -54.0740 -54.0736 -54.0736 -28.4014 -28.4014 -28.3979 -28.3979 -20.7599 -20.7599 -20.7486 -20.7486 -20.6566 -20.6566 -20.6467 -20.6467 -6.2733 -6.2733 -6.2280 -6.2280 -4.4700 -4.4700 -4.2324 -4.2324 -3.6793 -3.6793 -3.6514 -3.6514 2.7393 2.7393 2.7546 2.7546 4.0065 4.0065 4.0379 4.0379 4.3028 4.3028 4.3712 4.3712 4.5784 4.5784 4.6362 4.6362 5.1336 5.1336 5.1859 5.1859 5.8149 5.8149 6.0569 6.0569 6.5829 6.5829 6.9706 6.9706 7.1049 7.1049 7.1660 7.1660 8.4608 8.4608 8.8494 8.8494 9.9376 9.9376 10.6035 10.6035 10.8946 10.8946 11.1543 11.1543 k = 0.3721 0.3454 0.1520 ( 7100 PWs) bands (ev): -54.0739 -54.0739 -54.0735 -54.0735 -28.4017 -28.4017 -28.3984 -28.3984 -20.7617 -20.7617 -20.7512 -20.7512 -20.6560 -20.6560 -20.6467 -20.6467 -6.2615 -6.2615 -6.2190 -6.2190 -4.4439 -4.4439 -4.2239 -4.2239 -3.6767 -3.6767 -3.6496 -3.6496 2.6863 2.6863 2.7033 2.7033 4.0050 4.0050 4.0328 4.0328 4.3126 4.3126 4.3923 4.3923 4.5569 4.5569 4.6221 4.6221 5.1414 5.1414 5.1905 5.1905 5.8102 5.8102 6.0297 6.0297 6.5611 6.5611 6.9214 6.9214 7.0969 7.0969 7.1478 7.1478 8.4753 8.4753 8.8526 8.8526 9.9533 9.9533 10.6384 10.6384 10.9459 10.9459 11.1322 11.1322 k = 0.3837 0.3454 0.1520 ( 7108 PWs) bands (ev): -54.0738 -54.0738 -54.0735 -54.0735 -28.4019 -28.4019 -28.3989 -28.3989 -20.7634 -20.7634 -20.7537 -20.7537 -20.6553 -20.6553 -20.6468 -20.6468 -6.2503 -6.2503 -6.2110 -6.2110 -4.4184 -4.4184 -4.2164 -4.2164 -3.6743 -3.6743 -3.6483 -3.6483 2.6370 2.6370 2.6548 2.6548 4.0008 4.0008 4.0288 4.0288 4.3048 4.3048 4.4134 4.4134 4.5389 4.5389 4.6312 4.6312 5.1489 5.1489 5.1952 5.1952 5.8050 5.8050 6.0027 6.0027 6.5408 6.5408 6.8730 6.8730 7.0881 7.0881 7.1314 7.1314 8.4913 8.4913 8.8524 8.8524 9.9734 9.9734 10.6672 10.6672 10.9954 10.9954 11.1169 11.1169 k = 0.3953 0.3454 0.1520 ( 7120 PWs) bands (ev): -54.0737 -54.0737 -54.0735 -54.0735 -28.4021 -28.4021 -28.3994 -28.3994 -20.7649 -20.7649 -20.7561 -20.7561 -20.6546 -20.6546 -20.6469 -20.6469 -6.2398 -6.2398 -6.2037 -6.2037 -4.3936 -4.3936 -4.2101 -4.2101 -3.6721 -3.6721 -3.6473 -3.6473 2.5917 2.5917 2.6096 2.6096 3.9960 3.9960 4.0248 4.0248 4.2894 4.2894 4.4120 4.4120 4.5461 4.5461 4.6525 4.6525 5.1559 5.1559 5.1994 5.1994 5.7994 5.7994 5.9760 5.9760 6.5225 6.5225 6.8258 6.8258 7.0786 7.0786 7.1168 7.1168 8.5086 8.5086 8.8488 8.8488 9.9978 9.9978 10.6853 10.6853 11.0389 11.0389 11.1169 11.1169 k = 0.4070 0.3454 0.1520 ( 7116 PWs) bands (ev): -54.0737 -54.0737 -54.0734 -54.0734 -28.4023 -28.4023 -28.3998 -28.3998 -20.7661 -20.7661 -20.7582 -20.7582 -20.6539 -20.6539 -20.6471 -20.6471 -6.2300 -6.2300 -6.1974 -6.1974 -4.3697 -4.3697 -4.2052 -4.2052 -3.6700 -3.6700 -3.6468 -3.6468 2.5508 2.5508 2.5681 2.5681 3.9914 3.9914 4.0204 4.0204 4.2718 4.2718 4.3891 4.3891 4.5772 4.5772 4.6794 4.6794 5.1625 5.1625 5.2029 5.2029 5.7936 5.7936 5.9497 5.9497 6.5066 6.5066 6.7803 6.7803 7.0692 7.0692 7.1039 7.1039 8.5272 8.5272 8.8419 8.8419 10.0265 10.0265 10.6887 10.6887 11.0715 11.0715 11.1407 11.1407 k = 0.4186 0.3454 0.1520 ( 7116 PWs) bands (ev): -54.0736 -54.0736 -54.0734 -54.0734 -28.4024 -28.4024 -28.4002 -28.4002 -20.7672 -20.7672 -20.7602 -20.7602 -20.6533 -20.6533 -20.6472 -20.6472 -6.2210 -6.2210 -6.1921 -6.1921 -4.3469 -4.3469 -4.2017 -4.2017 -3.6680 -3.6680 -3.6468 -3.6468 2.5143 2.5143 2.5305 2.5305 3.9876 3.9876 4.0156 4.0156 4.2547 4.2547 4.3596 4.3596 4.6168 4.6168 4.7082 4.7082 5.1687 5.1687 5.2057 5.2057 5.7878 5.7878 5.9240 5.9240 6.4935 6.4935 6.7369 6.7369 7.0603 7.0603 7.0923 7.0923 8.5469 8.5469 8.8320 8.8320 10.0590 10.0590 10.6759 10.6759 11.1010 11.1010 11.1810 11.1810 k = 0.4302 0.3454 0.1520 ( 7126 PWs) bands (ev): -54.0736 -54.0736 -54.0734 -54.0734 -28.4026 -28.4026 -28.4006 -28.4006 -20.7682 -20.7682 -20.7621 -20.7621 -20.6526 -20.6526 -20.6474 -20.6474 -6.2128 -6.2128 -6.1877 -6.1877 -4.3253 -4.3253 -4.1998 -4.1998 -3.6661 -3.6661 -3.6471 -3.6471 2.4826 2.4826 2.4972 2.4972 3.9847 3.9847 4.0106 4.0106 4.2395 4.2395 4.3299 4.3299 4.6575 4.6575 4.7365 4.7365 5.1744 5.1744 5.2075 5.2075 5.7825 5.7825 5.8990 5.8990 6.4839 6.4839 6.6958 6.6958 7.0526 7.0526 7.0819 7.0819 8.5675 8.5675 8.8193 8.8193 10.0954 10.0954 10.6492 10.6492 11.1359 11.1359 11.2250 11.2250 k = 0.4419 0.3454 0.1520 ( 7120 PWs) bands (ev): -54.0735 -54.0735 -54.0734 -54.0734 -28.4026 -28.4026 -28.4010 -28.4010 -20.7688 -20.7688 -20.7637 -20.7637 -20.6520 -20.6520 -20.6476 -20.6476 -6.2055 -6.2055 -6.1843 -6.1843 -4.3050 -4.3050 -4.1997 -4.1997 -3.6642 -3.6642 -3.6478 -3.6478 2.4558 2.4558 2.4685 2.4685 3.9828 3.9828 4.0056 4.0056 4.2271 4.2271 4.3024 4.3024 4.6963 4.6963 4.7624 4.7624 5.1798 5.1798 5.2085 5.2085 5.7780 5.7780 5.8751 5.8751 6.4781 6.4781 6.6574 6.6574 7.0464 7.0464 7.0725 7.0725 8.5889 8.5889 8.8040 8.8040 10.1351 10.1351 10.6125 10.6125 11.1760 11.1760 11.2666 11.2666 k = 0.4535 0.3454 0.1520 ( 7122 PWs) bands (ev): -54.0735 -54.0735 -54.0733 -54.0733 -28.4026 -28.4026 -28.4013 -28.4013 -20.7693 -20.7693 -20.7652 -20.7652 -20.6514 -20.6514 -20.6479 -20.6479 -6.1990 -6.1990 -6.1819 -6.1819 -4.2862 -4.2862 -4.2015 -4.2015 -3.6624 -3.6624 -3.6488 -3.6488 2.4339 2.4339 2.4444 2.4444 3.9817 3.9817 4.0008 4.0008 4.2178 4.2178 4.2779 4.2779 4.7316 4.7316 4.7845 4.7845 5.1848 5.1848 5.2086 5.2086 5.7750 5.7750 5.8527 5.8527 6.4765 6.4765 6.6219 6.6219 7.0418 7.0418 7.0640 7.0640 8.6111 8.6111 8.7866 8.7866 10.1778 10.1778 10.5691 10.5691 11.2181 11.2181 11.3027 11.3027 k = 0.4651 0.3454 0.1520 ( 7118 PWs) bands (ev): -54.0734 -54.0734 -54.0733 -54.0733 -28.4026 -28.4026 -28.4016 -28.4016 -20.7696 -20.7696 -20.7665 -20.7665 -20.6508 -20.6508 -20.6482 -20.6482 -6.1934 -6.1934 -6.1805 -6.1805 -4.2691 -4.2691 -4.2052 -4.2052 -3.6605 -3.6605 -3.6500 -3.6500 2.4171 2.4171 2.4252 2.4252 3.9815 3.9815 3.9963 3.9963 4.2121 4.2121 4.2570 4.2570 4.7619 4.7619 4.8016 4.8016 5.1894 5.1894 5.2079 5.2079 5.7739 5.7739 5.8323 5.8323 6.4793 6.4793 6.5896 6.5896 7.0391 7.0391 7.0565 7.0565 8.6337 8.6337 8.7675 8.7675 10.2231 10.2231 10.5217 10.5217 11.2588 11.2588 11.3304 11.3304 k = 0.4767 0.3454 0.1520 ( 7112 PWs) bands (ev): -54.0734 -54.0734 -54.0733 -54.0733 -28.4025 -28.4025 -28.4018 -28.4018 -20.7696 -20.7696 -20.7675 -20.7675 -20.6503 -20.6503 -20.6485 -20.6485 -6.1888 -6.1888 -6.1801 -6.1801 -4.2536 -4.2536 -4.2109 -4.2109 -3.6586 -3.6586 -3.6515 -3.6515 2.4055 2.4055 2.4109 2.4109 3.9822 3.9822 3.9922 3.9922 4.2099 4.2099 4.2398 4.2398 4.7862 4.7862 4.8127 4.8127 5.1937 5.1937 5.2064 5.2064 5.7754 5.7754 5.8144 5.8144 6.4868 6.4868 6.5609 6.5609 7.0381 7.0381 7.0502 7.0502 8.6567 8.6567 8.7468 8.7468 10.2707 10.2707 10.4720 10.4720 11.2952 11.2952 11.3473 11.3473 k = 0.4884 0.3454 0.1520 ( 7118 PWs) bands (ev): -54.0734 -54.0734 -54.0733 -54.0733 -28.4024 -28.4024 -28.4020 -28.4020 -20.7694 -20.7694 -20.7684 -20.7684 -20.6498 -20.6498 -20.6489 -20.6489 -6.1851 -6.1851 -6.1808 -6.1808 -4.2400 -4.2400 -4.2186 -4.2186 -3.6568 -3.6568 -3.6532 -3.6532 2.3991 2.3991 2.4018 2.4018 3.9836 3.9836 3.9887 3.9887 4.2116 4.2116 4.2265 4.2265 4.8038 4.8038 4.8171 4.8171 5.1977 5.1977 5.2041 5.2041 5.7800 5.7800 5.7995 5.7995 6.4987 6.4987 6.5360 6.5360 7.0389 7.0389 7.0450 7.0450 8.6798 8.6798 8.7251 8.7251 10.3199 10.3199 10.4212 10.4212 11.3244 11.3244 11.3519 11.3519 k = 0.5000 0.3454 0.1520 ( 7120 PWs) bands (ev): -54.0734 -54.0734 -54.0734 -54.0734 -28.4022 -28.4022 -28.4022 -28.4022 -20.7690 -20.7690 -20.7690 -20.7690 -20.6493 -20.6493 -20.6493 -20.6493 -6.1825 -6.1825 -6.1825 -6.1825 -4.2283 -4.2283 -4.2283 -4.2283 -3.6549 -3.6549 -3.6549 -3.6549 2.3978 2.3978 2.3978 2.3978 3.9858 3.9858 3.9858 3.9858 4.2171 4.2171 4.2171 4.2171 4.8142 4.8142 4.8142 4.8142 5.2011 5.2011 5.2011 5.2011 5.7880 5.7880 5.7880 5.7880 6.5152 6.5152 6.5152 6.5152 7.0412 7.0412 7.0412 7.0412 8.7027 8.7027 8.7027 8.7027 10.3703 10.3703 10.3703 10.3703 11.3439 11.3439 11.3439 11.3439 k = 0.5000 0.3454 0.1520 ( 7120 PWs) bands (ev): -54.0734 -54.0734 -54.0734 -54.0734 -28.4022 -28.4022 -28.4022 -28.4022 -20.7690 -20.7690 -20.7690 -20.7690 -20.6493 -20.6493 -20.6493 -20.6493 -6.1825 -6.1825 -6.1825 -6.1825 -4.2283 -4.2283 -4.2283 -4.2283 -3.6549 -3.6549 -3.6549 -3.6549 2.3978 2.3978 2.3978 2.3978 3.9858 3.9858 3.9858 3.9858 4.2171 4.2171 4.2171 4.2171 4.8142 4.8142 4.8142 4.8142 5.2011 5.2011 5.2011 5.2011 5.7880 5.7880 5.7880 5.7880 6.5152 6.5152 6.5152 6.5152 7.0412 7.0412 7.0412 7.0412 8.7027 8.7027 8.7027 8.7027 10.3703 10.3703 10.3703 10.3703 11.3439 11.3439 11.3439 11.3439 k = 0.5000 0.3495 0.1426 ( 7120 PWs) bands (ev): -54.0734 -54.0734 -54.0734 -54.0734 -28.4022 -28.4022 -28.4022 -28.4022 -20.7690 -20.7690 -20.7690 -20.7690 -20.6493 -20.6493 -20.6493 -20.6493 -6.1826 -6.1826 -6.1826 -6.1826 -4.2286 -4.2286 -4.2281 -4.2281 -3.6547 -3.6547 -3.6546 -3.6546 2.3983 2.3983 2.3987 2.3987 3.9820 3.9820 3.9872 3.9872 4.2140 4.2140 4.2192 4.2192 4.8103 4.8103 4.8169 4.8169 5.1996 5.1996 5.2006 5.2006 5.7895 5.7895 5.7905 5.7905 6.5120 6.5120 6.5168 6.5168 7.0409 7.0409 7.0431 7.0431 8.7039 8.7039 8.7052 8.7052 10.3688 10.3688 10.3714 10.3714 11.3414 11.3414 11.3466 11.3466 k = 0.5000 0.3537 0.1331 ( 7124 PWs) bands (ev): -54.0734 -54.0734 -54.0734 -54.0734 -28.4022 -28.4022 -28.4022 -28.4022 -20.7690 -20.7690 -20.7690 -20.7690 -20.6493 -20.6493 -20.6493 -20.6493 -6.1830 -6.1830 -6.1829 -6.1829 -4.2290 -4.2290 -4.2280 -4.2280 -3.6538 -3.6538 -3.6537 -3.6537 2.4002 2.4002 2.4010 2.4010 3.9757 3.9757 3.9862 3.9862 4.2099 4.2099 4.2204 4.2204 4.8053 4.8053 4.8185 4.8185 5.1959 5.1959 5.1978 5.1978 5.7952 5.7952 5.7969 5.7969 6.5071 6.5071 6.5169 6.5169 7.0423 7.0423 7.0468 7.0468 8.7088 8.7088 8.7115 8.7115 10.3670 10.3670 10.3723 10.3723 11.3390 11.3390 11.3492 11.3492 k = 0.5000 0.3578 0.1237 ( 7122 PWs) bands (ev): -54.0734 -54.0734 -54.0734 -54.0734 -28.4022 -28.4022 -28.4022 -28.4022 -20.7690 -20.7690 -20.7690 -20.7690 -20.6493 -20.6493 -20.6493 -20.6493 -6.1836 -6.1836 -6.1835 -6.1835 -4.2294 -4.2294 -4.2280 -4.2280 -3.6523 -3.6523 -3.6522 -3.6522 2.4034 2.4034 2.4047 2.4047 3.9669 3.9669 3.9827 3.9827 4.2049 4.2049 4.2207 4.2207 4.7998 4.7998 4.8190 4.8190 5.1902 5.1902 5.1931 5.1931 5.8048 5.8048 5.8065 5.8065 6.5007 6.5007 6.5154 6.5154 7.0453 7.0453 7.0522 7.0522 8.7174 8.7174 8.7214 8.7214 10.3648 10.3648 10.3728 10.3728 11.3368 11.3368 11.3519 11.3519 k = 0.5000 0.3620 0.1143 ( 7116 PWs) bands (ev): -54.0734 -54.0734 -54.0734 -54.0734 -28.4022 -28.4022 -28.4022 -28.4022 -20.7690 -20.7690 -20.7690 -20.7690 -20.6493 -20.6493 -20.6493 -20.6493 -6.1845 -6.1845 -6.1844 -6.1844 -4.2300 -4.2300 -4.2281 -4.2281 -3.6503 -3.6503 -3.6500 -3.6500 2.4080 2.4080 2.4096 2.4096 3.9555 3.9555 3.9766 3.9766 4.1993 4.1993 4.2204 4.2204 4.7939 4.7939 4.8186 4.8186 5.1826 5.1826 5.1865 5.1865 5.8178 5.8178 5.8187 5.8187 6.4926 6.4926 6.5124 6.5124 7.0499 7.0499 7.0596 7.0596 8.7296 8.7296 8.7349 8.7349 10.3621 10.3621 10.3730 10.3730 11.3348 11.3348 11.3545 11.3545 k = 0.5000 0.3661 0.1048 ( 7114 PWs) bands (ev): -54.0734 -54.0734 -54.0734 -54.0734 -28.4022 -28.4022 -28.4022 -28.4022 -20.7690 -20.7690 -20.7690 -20.7690 -20.6493 -20.6493 -20.6493 -20.6493 -6.1856 -6.1856 -6.1854 -6.1854 -4.2306 -4.2306 -4.2283 -4.2283 -3.6476 -3.6476 -3.6473 -3.6473 2.4138 2.4138 2.4159 2.4159 3.9413 3.9413 3.9678 3.9678 4.1934 4.1934 4.2197 4.2197 4.7881 4.7881 4.8175 4.8175 5.1734 5.1734 5.1781 5.1781 5.8324 5.8324 5.8335 5.8335 6.4831 6.4831 6.5082 6.5082 7.0563 7.0563 7.0690 7.0690 8.7454 8.7454 8.7520 8.7520 10.3587 10.3587 10.3727 10.3727 11.3330 11.3330 11.3569 11.3569 k = 0.5000 0.3661 0.1048 ( 7114 PWs) bands (ev): -54.0734 -54.0734 -54.0734 -54.0734 -28.4022 -28.4022 -28.4022 -28.4022 -20.7690 -20.7690 -20.7690 -20.7690 -20.6493 -20.6493 -20.6493 -20.6493 -6.1856 -6.1856 -6.1854 -6.1854 -4.2306 -4.2306 -4.2283 -4.2283 -3.6476 -3.6476 -3.6473 -3.6473 2.4138 2.4138 2.4159 2.4159 3.9413 3.9413 3.9678 3.9678 4.1934 4.1934 4.2197 4.2197 4.7881 4.7881 4.8175 4.8175 5.1734 5.1734 5.1781 5.1781 5.8324 5.8324 5.8335 5.8335 6.4831 6.4831 6.5082 6.5082 7.0563 7.0563 7.0690 7.0690 8.7454 8.7454 8.7520 8.7520 10.3587 10.3587 10.3727 10.3727 11.3330 11.3330 11.3569 11.3569 k = 0.5000 0.3645 0.0931 ( 7110 PWs) bands (ev): -54.0734 -54.0734 -54.0734 -54.0734 -28.4022 -28.4022 -28.4022 -28.4022 -20.7690 -20.7690 -20.7690 -20.7690 -20.6493 -20.6493 -20.6492 -20.6492 -6.1851 -6.1851 -6.1850 -6.1850 -4.2303 -4.2303 -4.2282 -4.2282 -3.6488 -3.6488 -3.6486 -3.6486 2.4204 2.4204 2.4224 2.4224 3.9300 3.9300 3.9500 3.9500 4.1867 4.1867 4.2075 4.2075 4.7924 4.7924 4.8251 4.8251 5.1806 5.1806 5.1904 5.1904 5.8434 5.8434 5.8480 5.8480 6.4694 6.4694 6.4970 6.4970 7.0701 7.0701 7.0806 7.0806 8.7413 8.7413 8.7482 8.7482 10.3544 10.3544 10.3637 10.3637 11.3320 11.3320 11.3608 11.3608 k = 0.5000 0.3629 0.0814 ( 7114 PWs) bands (ev): -54.0734 -54.0734 -54.0734 -54.0734 -28.4022 -28.4022 -28.4022 -28.4022 -20.7690 -20.7690 -20.7690 -20.7690 -20.6493 -20.6493 -20.6493 -20.6493 -6.1847 -6.1847 -6.1846 -6.1846 -4.2301 -4.2301 -4.2281 -4.2281 -3.6500 -3.6500 -3.6497 -3.6497 2.4283 2.4283 2.4302 2.4302 3.9144 3.9144 3.9288 3.9288 4.1795 4.1795 4.1954 4.1954 4.7994 4.7994 4.8347 4.8347 5.1883 5.1883 5.2025 5.2025 5.8552 5.8552 5.8633 5.8633 6.4534 6.4534 6.4828 6.4828 7.0866 7.0866 7.0954 7.0954 8.7383 8.7383 8.7454 8.7454 10.3474 10.3474 10.3526 10.3526 11.3318 11.3318 11.3646 11.3646 k = 0.5000 0.3613 0.0698 ( 7114 PWs) bands (ev): -54.0734 -54.0734 -54.0734 -54.0734 -28.4022 -28.4022 -28.4022 -28.4022 -20.7690 -20.7690 -20.7690 -20.7690 -20.6493 -20.6493 -20.6493 -20.6493 -6.1843 -6.1843 -6.1842 -6.1842 -4.2298 -4.2298 -4.2280 -4.2280 -3.6510 -3.6510 -3.6508 -3.6508 2.4372 2.4372 2.4390 2.4390 3.8955 3.8955 3.9053 3.9053 4.1716 4.1716 4.1836 4.1836 4.8089 4.8089 4.8458 4.8458 5.1966 5.1966 5.2144 5.2144 5.8674 5.8674 5.8786 5.8786 6.4359 6.4359 6.4666 6.4666 7.1049 7.1049 7.1125 7.1125 8.7363 8.7363 8.7435 8.7435 10.3381 10.3381 10.3397 10.3397 11.3323 11.3323 11.3680 11.3680 k = 0.5000 0.3597 0.0581 ( 7118 PWs) bands (ev): -54.0734 -54.0734 -54.0734 -54.0734 -28.4022 -28.4022 -28.4022 -28.4022 -20.7690 -20.7690 -20.7690 -20.7690 -20.6493 -20.6493 -20.6493 -20.6493 -6.1839 -6.1839 -6.1839 -6.1839 -4.2296 -4.2296 -4.2279 -4.2279 -3.6520 -3.6520 -3.6518 -3.6518 2.4469 2.4469 2.4486 2.4486 3.8743 3.8743 3.8806 3.8806 4.1632 4.1632 4.1722 4.1722 4.8204 4.8204 4.8580 4.8580 5.2053 5.2053 5.2259 5.2259 5.8795 5.8795 5.8934 5.8934 6.4178 6.4178 6.4489 6.4489 7.1243 7.1243 7.1310 7.1310 8.7352 8.7352 8.7424 8.7424 10.3257 10.3257 10.3268 10.3268 11.3337 11.3337 11.3711 11.3711 k = 0.5000 0.3581 0.0464 ( 7126 PWs) bands (ev): -54.0734 -54.0734 -54.0734 -54.0734 -28.4023 -28.4023 -28.4023 -28.4023 -20.7690 -20.7690 -20.7690 -20.7690 -20.6493 -20.6493 -20.6493 -20.6493 -6.1836 -6.1836 -6.1835 -6.1835 -4.2294 -4.2294 -4.2279 -4.2279 -3.6529 -3.6529 -3.6527 -3.6527 2.4570 2.4570 2.4586 2.4586 3.8518 3.8518 3.8555 3.8555 4.1546 4.1546 4.1613 4.1613 4.8332 4.8332 4.8705 4.8705 5.2144 5.2144 5.2368 5.2368 5.8911 5.8911 5.9070 5.9070 6.3999 6.3999 6.4306 6.4306 7.1441 7.1441 7.1501 7.1501 8.7350 8.7350 8.7421 8.7421 10.3110 10.3110 10.3142 10.3142 11.3357 11.3357 11.3736 11.3736 k = 0.5000 0.3565 0.0347 ( 7130 PWs) bands (ev): -54.0734 -54.0734 -54.0734 -54.0734 -28.4023 -28.4023 -28.4023 -28.4023 -20.7690 -20.7690 -20.7690 -20.7690 -20.6493 -20.6493 -20.6493 -20.6493 -6.1833 -6.1833 -6.1833 -6.1833 -4.2292 -4.2292 -4.2279 -4.2279 -3.6537 -3.6537 -3.6536 -3.6536 2.4673 2.4673 2.4688 2.4688 3.8290 3.8290 3.8309 3.8309 4.1461 4.1461 4.1511 4.1511 4.8468 4.8468 4.8827 4.8827 5.2239 5.2239 5.2470 5.2470 5.9017 5.9017 5.9189 5.9189 6.3828 6.3828 6.4124 6.4124 7.1636 7.1636 7.1690 7.1690 8.7355 8.7355 8.7423 8.7423 10.2962 10.2962 10.3008 10.3008 11.3384 11.3384 11.3753 11.3753 k = 0.5000 0.3549 0.0230 ( 7136 PWs) bands (ev): -54.0734 -54.0734 -54.0734 -54.0734 -28.4023 -28.4023 -28.4023 -28.4023 -20.7690 -20.7690 -20.7690 -20.7690 -20.6494 -20.6494 -20.6494 -20.6494 -6.1831 -6.1831 -6.1830 -6.1830 -4.2290 -4.2290 -4.2279 -4.2279 -3.6544 -3.6544 -3.6543 -3.6543 2.4774 2.4774 2.4787 2.4787 3.8070 3.8070 3.8077 3.8077 4.1381 4.1381 4.1418 4.1418 4.8605 4.8605 4.8939 4.8939 5.2336 5.2336 5.2562 5.2562 5.9113 5.9113 5.9289 5.9289 6.3672 6.3672 6.3949 6.3949 7.1821 7.1821 7.1870 7.1870 8.7366 8.7366 8.7429 8.7429 10.2819 10.2819 10.2872 10.2872 11.3415 11.3415 11.3763 11.3763 k = 0.5000 0.3533 0.0113 ( 7132 PWs) bands (ev): -54.0734 -54.0734 -54.0734 -54.0734 -28.4023 -28.4023 -28.4023 -28.4023 -20.7690 -20.7690 -20.7690 -20.7690 -20.6494 -20.6494 -20.6494 -20.6494 -6.1829 -6.1829 -6.1828 -6.1828 -4.2288 -4.2288 -4.2279 -4.2279 -3.6550 -3.6550 -3.6549 -3.6549 2.4868 2.4868 2.4880 2.4880 3.7865 3.7865 3.7866 3.7866 4.1308 4.1308 4.1335 4.1335 4.8738 4.8738 4.9036 4.9036 5.2433 5.2433 5.2643 5.2643 5.9196 5.9196 5.9365 5.9365 6.3538 6.3538 6.3786 6.3786 7.1991 7.1991 7.2033 7.2033 8.7381 8.7381 8.7437 8.7437 10.2688 10.2688 10.2742 10.2742 11.3451 11.3451 11.3764 11.3764 k = 0.5000 0.3518-0.0004 ( 7126 PWs) bands (ev): -54.0734 -54.0734 -54.0734 -54.0734 -28.4023 -28.4023 -28.4023 -28.4023 -20.7690 -20.7690 -20.7690 -20.7690 -20.6494 -20.6494 -20.6493 -20.6493 -6.1827 -6.1827 -6.1827 -6.1827 -4.2286 -4.2286 -4.2279 -4.2279 -3.6555 -3.6555 -3.6554 -3.6554 2.4953 2.4953 2.4962 2.4962 3.7682 3.7682 3.7686 3.7686 4.1245 4.1245 4.1264 4.1264 4.8862 4.8862 4.9113 4.9113 5.2525 5.2525 5.2709 5.2709 5.9267 5.9267 5.9419 5.9419 6.3429 6.3429 6.3641 6.3641 7.2139 7.2139 7.2174 7.2174 8.7398 8.7398 8.7446 8.7446 10.2573 10.2573 10.2623 10.2623 11.3490 11.3490 11.3757 11.3757 k = 0.5000 0.3502-0.0121 ( 7128 PWs) bands (ev): -54.0734 -54.0734 -54.0734 -54.0734 -28.4023 -28.4023 -28.4023 -28.4023 -20.7690 -20.7690 -20.7690 -20.7690 -20.6494 -20.6494 -20.6493 -20.6493 -6.1826 -6.1826 -6.1825 -6.1825 -4.2285 -4.2285 -4.2279 -4.2279 -3.6558 -3.6558 -3.6558 -3.6558 2.5024 2.5024 2.5031 2.5031 3.7532 3.7532 3.7537 3.7537 4.1194 4.1194 4.1208 4.1208 4.8970 4.8970 4.9167 4.9167 5.2610 5.2610 5.2758 5.2758 5.9326 5.9326 5.9451 5.9451 6.3350 6.3350 6.3517 6.3517 7.2261 7.2261 7.2288 7.2288 8.7416 8.7416 8.7453 8.7453 10.2479 10.2479 10.2521 10.2521 11.3532 11.3532 11.3741 11.3741 k = 0.5000 0.3486-0.0238 ( 7128 PWs) bands (ev): -54.0734 -54.0734 -54.0734 -54.0734 -28.4023 -28.4023 -28.4023 -28.4023 -20.7690 -20.7690 -20.7690 -20.7690 -20.6494 -20.6494 -20.6494 -20.6494 -6.1825 -6.1825 -6.1825 -6.1825 -4.2283 -4.2283 -4.2280 -4.2280 -3.6561 -3.6561 -3.6561 -3.6561 2.5077 2.5077 2.5082 2.5082 3.7422 3.7422 3.7426 3.7426 4.1157 4.1157 4.1166 4.1166 4.9061 4.9061 4.9197 4.9197 5.2683 5.2683 5.2786 5.2786 5.9375 5.9375 5.9464 5.9464 6.3302 6.3302 6.3418 6.3418 7.2352 7.2352 7.2371 7.2371 8.7432 8.7432 8.7457 8.7457 10.2412 10.2412 10.2442 10.2442 11.3573 11.3573 11.3718 11.3718 k = 0.5000 0.3470-0.0355 ( 7124 PWs) bands (ev): -54.0734 -54.0734 -54.0734 -54.0734 -28.4023 -28.4023 -28.4023 -28.4023 -20.7690 -20.7690 -20.7690 -20.7690 -20.6494 -20.6494 -20.6494 -20.6494 -6.1824 -6.1824 -6.1824 -6.1824 -4.2282 -4.2282 -4.2280 -4.2280 -3.6563 -3.6563 -3.6563 -3.6563 2.5111 2.5111 2.5113 2.5113 3.7355 3.7355 3.7357 3.7357 4.1135 4.1135 4.1140 4.1140 4.9132 4.9132 4.9200 4.9200 5.2740 5.2740 5.2793 5.2793 5.9414 5.9414 5.9460 5.9460 6.3286 6.3286 6.3345 6.3345 7.2410 7.2410 7.2420 7.2420 8.7444 8.7444 8.7458 8.7458 10.2374 10.2374 10.2389 10.2389 11.3614 11.3614 11.3688 11.3688 k = 0.5000 0.3454-0.0472 ( 7120 PWs) bands (ev): -54.0734 -54.0734 -54.0734 -54.0734 -28.4022 -28.4022 -28.4022 -28.4022 -20.7690 -20.7690 -20.7690 -20.7690 -20.6494 -20.6494 -20.6494 -20.6494 -6.1824 -6.1824 -6.1824 -6.1824 -4.2281 -4.2281 -4.2281 -4.2281 -3.6563 -3.6563 -3.6563 -3.6563 2.5123 2.5123 2.5123 2.5123 3.7333 3.7333 3.7333 3.7333 4.1130 4.1130 4.1130 4.1130 4.9178 4.9178 4.9178 4.9178 5.2777 5.2777 5.2777 5.2777 5.9442 5.9442 5.9442 5.9442 6.3300 6.3300 6.3300 6.3300 7.2433 7.2433 7.2433 7.2433 8.7453 8.7453 8.7453 8.7453 10.2366 10.2366 10.2366 10.2366 11.3653 11.3653 11.3653 11.3653 k = 0.5000 0.3454-0.0472 ( 7120 PWs) bands (ev): -54.0734 -54.0734 -54.0734 -54.0734 -28.4022 -28.4022 -28.4022 -28.4022 -20.7690 -20.7690 -20.7690 -20.7690 -20.6494 -20.6494 -20.6494 -20.6494 -6.1824 -6.1824 -6.1824 -6.1824 -4.2281 -4.2281 -4.2281 -4.2281 -3.6563 -3.6563 -3.6563 -3.6563 2.5123 2.5123 2.5123 2.5123 3.7333 3.7333 3.7333 3.7333 4.1130 4.1130 4.1130 4.1130 4.9178 4.9178 4.9178 4.9178 5.2777 5.2777 5.2777 5.2777 5.9442 5.9442 5.9442 5.9442 6.3300 6.3300 6.3300 6.3300 7.2433 7.2433 7.2433 7.2433 8.7453 8.7453 8.7453 8.7453 10.2366 10.2366 10.2366 10.2366 11.3653 11.3653 11.3653 11.3653 k = 0.4884 0.3454-0.0472 ( 7128 PWs) bands (ev): -54.0734 -54.0734 -54.0733 -54.0733 -28.4024 -28.4024 -28.4021 -28.4021 -20.7694 -20.7694 -20.7684 -20.7684 -20.6498 -20.6498 -20.6489 -20.6489 -6.1851 -6.1851 -6.1807 -6.1807 -4.2398 -4.2398 -4.2185 -4.2185 -3.6580 -3.6580 -3.6545 -3.6545 2.5105 2.5105 2.5184 2.5184 3.7297 3.7297 3.7380 3.7380 4.1056 4.1056 4.1227 4.1227 4.9167 4.9167 4.9205 4.9205 5.2685 5.2685 5.2860 5.2860 5.9356 5.9356 5.9491 5.9491 6.3256 6.3256 6.3383 6.3383 7.2282 7.2282 7.2589 7.2589 8.7315 8.7315 8.7579 8.7579 10.1977 10.1977 10.2763 10.2763 11.3507 11.3507 11.3751 11.3751 k = 0.4767 0.3454-0.0472 ( 7126 PWs) bands (ev): -54.0734 -54.0734 -54.0733 -54.0733 -28.4025 -28.4025 -28.4019 -28.4019 -20.7696 -20.7696 -20.7676 -20.7676 -20.6503 -20.6503 -20.6486 -20.6486 -6.1887 -6.1887 -6.1800 -6.1800 -4.2534 -4.2534 -4.2110 -4.2110 -3.6597 -3.6597 -3.6528 -3.6528 2.5128 2.5128 2.5286 2.5286 3.7271 3.7271 3.7437 3.7437 4.1006 4.1006 4.1348 4.1348 4.9174 4.9174 4.9244 4.9244 5.2584 5.2584 5.2930 5.2930 5.9236 5.9236 5.9500 5.9500 6.3254 6.3254 6.3502 6.3502 7.2137 7.2137 7.2746 7.2746 8.7167 8.7167 8.7690 8.7690 10.1599 10.1599 10.3165 10.3165 11.3317 11.3317 11.3796 11.3796 k = 0.4651 0.3454-0.0472 ( 7128 PWs) bands (ev): -54.0734 -54.0734 -54.0733 -54.0733 -28.4025 -28.4025 -28.4017 -28.4017 -20.7695 -20.7695 -20.7665 -20.7665 -20.6508 -20.6508 -20.6482 -20.6482 -6.1934 -6.1934 -6.1804 -6.1804 -4.2690 -4.2690 -4.2055 -4.2055 -3.6614 -3.6614 -3.6511 -3.6511 2.5195 2.5195 2.5429 2.5429 3.7256 3.7256 3.7504 3.7504 4.0979 4.0979 4.1491 4.1491 4.9199 4.9199 4.9294 4.9294 5.2478 5.2478 5.2987 5.2987 5.9088 5.9088 5.9471 5.9471 6.3291 6.3291 6.3653 6.3653 7.2000 7.2000 7.2903 7.2903 8.7013 8.7013 8.7783 8.7783 10.1236 10.1236 10.3567 10.3567 11.3087 11.3087 11.3787 11.3787 k = 0.4535 0.3454-0.0472 ( 7124 PWs) bands (ev): -54.0735 -54.0735 -54.0733 -54.0733 -28.4026 -28.4026 -28.4014 -28.4014 -20.7693 -20.7693 -20.7652 -20.7652 -20.6514 -20.6514 -20.6479 -20.6479 -6.1989 -6.1989 -6.1818 -6.1818 -4.2863 -4.2863 -4.2020 -4.2020 -3.6630 -3.6630 -3.6494 -3.6494 2.5303 2.5303 2.5611 2.5611 3.7252 3.7252 3.7581 3.7581 4.0973 4.0973 4.1656 4.1656 4.9242 4.9242 4.9352 4.9352 5.2370 5.2370 5.3031 5.3031 5.8920 5.8920 5.9409 5.9409 6.3366 6.3366 6.3830 6.3830 7.1874 7.1874 7.3057 7.3057 8.6854 8.6854 8.7857 8.7857 10.0890 10.0890 10.3965 10.3965 11.2815 11.2815 11.3736 11.3736 k = 0.4419 0.3454-0.0472 ( 7116 PWs) bands (ev): -54.0735 -54.0735 -54.0734 -54.0734 -28.4025 -28.4025 -28.4010 -28.4010 -20.7688 -20.7688 -20.7638 -20.7638 -20.6520 -20.6520 -20.6477 -20.6477 -6.2054 -6.2054 -6.1842 -6.1842 -4.3054 -4.3054 -4.2003 -4.2003 -3.6646 -3.6646 -3.6480 -3.6480 2.5454 2.5454 2.5831 2.5831 3.7260 3.7260 3.7666 3.7666 4.0987 4.0987 4.1840 4.1840 4.9301 4.9301 4.9416 4.9416 5.2265 5.2265 5.3062 5.3062 5.8736 5.8736 5.9320 5.9320 6.3473 6.3473 6.4033 6.4033 7.1761 7.1761 7.3205 7.3205 8.6693 8.6693 8.7908 8.7908 10.0564 10.0564 10.4355 10.4355 11.2495 11.2495 11.3657 11.3657 k = 0.4302 0.3454-0.0472 ( 7110 PWs) bands (ev): -54.0736 -54.0736 -54.0734 -54.0734 -28.4024 -28.4024 -28.4007 -28.4007 -20.7680 -20.7680 -20.7621 -20.7621 -20.6526 -20.6526 -20.6474 -20.6474 -6.2128 -6.2128 -6.1876 -6.1876 -4.3259 -4.3259 -4.2005 -4.2005 -3.6663 -3.6663 -3.6468 -3.6468 2.5646 2.5646 2.6087 2.6087 3.7279 3.7279 3.7760 3.7760 4.1018 4.1018 4.2043 4.2043 4.9369 4.9369 4.9487 4.9487 5.2167 5.2167 5.3082 5.3082 5.8545 5.8545 5.9213 5.9213 6.3606 6.3606 6.4258 6.4258 7.1661 7.1661 7.3346 7.3346 8.6534 8.6534 8.7936 8.7936 10.0260 10.0260 10.4731 10.4731 11.2123 11.2123 11.3568 11.3568 k = 0.4186 0.3454-0.0472 ( 7108 PWs) bands (ev): -54.0736 -54.0736 -54.0734 -54.0734 -28.4024 -28.4024 -28.4003 -28.4003 -20.7672 -20.7672 -20.7602 -20.7602 -20.6532 -20.6532 -20.6472 -20.6472 -6.2210 -6.2210 -6.1920 -6.1920 -4.3478 -4.3478 -4.2023 -4.2023 -3.6681 -3.6681 -3.6459 -3.6459 2.5879 2.5879 2.6378 2.6378 3.7311 3.7311 3.7862 3.7862 4.1063 4.1063 4.2260 4.2260 4.9432 4.9432 4.9575 4.9575 5.2084 5.2084 5.3091 5.3091 5.8351 5.8351 5.9095 5.9095 6.3759 6.3759 6.4506 6.4506 7.1577 7.1577 7.3477 7.3477 8.6379 8.6379 8.7939 8.7939 9.9981 9.9981 10.5087 10.5087 11.1699 11.1699 11.3485 11.3485 k = 0.4070 0.3454-0.0472 ( 7110 PWs) bands (ev): -54.0737 -54.0737 -54.0734 -54.0734 -28.4022 -28.4022 -28.3998 -28.3998 -20.7661 -20.7661 -20.7582 -20.7582 -20.6539 -20.6539 -20.6471 -20.6471 -6.2300 -6.2300 -6.1974 -6.1974 -4.3709 -4.3709 -4.2056 -4.2056 -3.6702 -3.6702 -3.6454 -3.6454 2.6151 2.6151 2.6700 2.6700 3.7355 3.7355 3.7970 3.7970 4.1117 4.1117 4.2490 4.2490 4.9478 4.9478 4.9686 4.9686 5.2020 5.2020 5.3094 5.3094 5.8161 5.8161 5.8975 5.8975 6.3926 6.3926 6.4778 6.4778 7.1509 7.1509 7.3595 7.3595 8.6230 8.6230 8.7915 8.7915 9.9729 9.9729 10.5416 10.5416 11.1227 11.1227 11.3413 11.3413 k = 0.3953 0.3454-0.0472 ( 7112 PWs) bands (ev): -54.0737 -54.0737 -54.0735 -54.0735 -28.4021 -28.4021 -28.3994 -28.3994 -20.7648 -20.7648 -20.7560 -20.7560 -20.6546 -20.6546 -20.6470 -20.6470 -6.2397 -6.2397 -6.2038 -6.2038 -4.3951 -4.3951 -4.2102 -4.2102 -3.6725 -3.6725 -3.6453 -3.6453 2.6461 2.6461 2.7050 2.7050 3.7413 3.7413 3.8086 3.8086 4.1179 4.1179 4.2727 4.2727 4.9501 4.9501 4.9817 4.9817 5.1981 5.1981 5.3094 5.3094 5.7980 5.7980 5.8858 5.8858 6.4103 6.4103 6.5074 6.5074 7.1460 7.1460 7.3700 7.3700 8.6090 8.6090 8.7863 8.7863 9.9505 9.9505 10.5711 10.5711 11.0715 11.0715 11.3351 11.3351 k = 0.3837 0.3454-0.0472 ( 7104 PWs) bands (ev): -54.0738 -54.0738 -54.0735 -54.0735 -28.4019 -28.4019 -28.3989 -28.3989 -20.7633 -20.7633 -20.7537 -20.7537 -20.6553 -20.6553 -20.6469 -20.6469 -6.2502 -6.2502 -6.2111 -6.2111 -4.4202 -4.4202 -4.2160 -4.2160 -3.6752 -3.6752 -3.6457 -3.6457 2.6807 2.6807 2.7426 2.7426 3.7484 3.7484 3.8209 3.8209 4.1243 4.1243 4.2968 4.2968 4.9502 4.9502 4.9963 4.9963 5.1971 5.1971 5.3097 5.3097 5.7813 5.7813 5.8753 5.8753 6.4285 6.4285 6.5396 6.5396 7.1430 7.1430 7.3790 7.3790 8.5960 8.5960 8.7783 8.7783 9.9311 9.9311 10.5965 10.5965 11.0171 11.0171 11.3291 11.3291 k = 0.3721 0.3454-0.0472 ( 7110 PWs) bands (ev): -54.0739 -54.0739 -54.0735 -54.0735 -28.4017 -28.4017 -28.3985 -28.3985 -20.7617 -20.7617 -20.7512 -20.7512 -20.6560 -20.6560 -20.6468 -20.6468 -6.2614 -6.2614 -6.2193 -6.2193 -4.4459 -4.4459 -4.2227 -4.2227 -3.6783 -3.6783 -3.6465 -3.6465 2.7187 2.7187 2.7823 2.7823 3.7570 3.7570 3.8338 3.8338 4.1309 4.1309 4.3206 4.3206 4.9479 4.9479 5.0119 5.0119 5.1988 5.1988 5.3115 5.3115 5.7664 5.7664 5.8667 5.8667 6.4469 6.4469 6.5745 6.5745 7.1420 7.1420 7.3863 7.3863 8.5843 8.5843 8.7675 8.7675 9.9148 9.9148 10.6170 10.6170 10.9606 10.9606 11.3218 11.3218 k = 0.3605 0.3454-0.0472 ( 7122 PWs) bands (ev): -54.0740 -54.0740 -54.0736 -54.0736 -28.4015 -28.4015 -28.3980 -28.3980 -20.7600 -20.7600 -20.7487 -20.7487 -20.6567 -20.6567 -20.6468 -20.6468 -6.2732 -6.2732 -6.2283 -6.2283 -4.4722 -4.4722 -4.2302 -4.2302 -3.6819 -3.6819 -3.6479 -3.6479 2.7598 2.7598 2.8235 2.8235 3.7669 3.7669 3.8473 3.8473 4.1374 4.1374 4.3435 4.3435 4.9436 4.9436 5.0282 5.0282 5.2025 5.2025 5.3159 5.3159 5.7534 5.7534 5.8607 5.8607 6.4652 6.4652 6.6123 6.6123 7.1432 7.1432 7.3920 7.3920 8.5739 8.5739 8.7538 8.7538 9.9016 9.9016 10.6316 10.6316 10.9031 10.9031 11.3114 11.3114 k = 0.3488 0.3454-0.0472 ( 7138 PWs) bands (ev): -54.0741 -54.0741 -54.0737 -54.0737 -28.4013 -28.4013 -28.3976 -28.3976 -20.7581 -20.7581 -20.7461 -20.7461 -20.6574 -20.6574 -20.6467 -20.6467 -6.2855 -6.2855 -6.2381 -6.2381 -4.4990 -4.4990 -4.2384 -4.2384 -3.6860 -3.6860 -3.6498 -3.6498 2.8038 2.8038 2.8659 2.8659 3.7782 3.7782 3.8616 3.8616 4.1439 4.1439 4.3650 4.3650 4.9374 4.9374 5.0446 5.0446 5.2071 5.2071 5.3247 5.3247 5.7424 5.7424 5.8582 5.8582 6.4832 6.4832 6.6528 6.6528 7.1467 7.1467 7.3961 7.3961 8.5650 8.5650 8.7375 8.7375 9.8914 9.8914 10.6391 10.6391 10.8460 10.8460 11.2963 11.2963 k = 0.3372 0.3454-0.0472 ( 7118 PWs) bands (ev): -54.0741 -54.0741 -54.0737 -54.0737 -28.4009 -28.4009 -28.3969 -28.3969 -20.7560 -20.7560 -20.7432 -20.7432 -20.6580 -20.6580 -20.6466 -20.6466 -6.2984 -6.2984 -6.2487 -6.2487 -4.5259 -4.5259 -4.2470 -4.2470 -3.6906 -3.6906 -3.6522 -3.6522 2.8503 2.8503 2.9086 2.9086 3.7908 3.7908 3.8767 3.8767 4.1505 4.1505 4.3845 4.3845 4.9299 4.9299 5.0607 5.0607 5.2114 5.2114 5.3397 5.3397 5.7331 5.7331 5.8603 5.8603 6.5008 6.5008 6.6960 6.6960 7.1526 7.1526 7.3986 7.3986 8.5577 8.5577 8.7186 8.7186 9.8839 9.8839 10.6371 10.6371 10.7916 10.7916 11.2759 11.2759 k = 0.3256 0.3454-0.0472 ( 7118 PWs) bands (ev): -54.0742 -54.0742 -54.0738 -54.0738 -28.4006 -28.4006 -28.3964 -28.3964 -20.7539 -20.7539 -20.7404 -20.7404 -20.6587 -20.6587 -20.6466 -20.6466 -6.3118 -6.3118 -6.2600 -6.2600 -4.5530 -4.5530 -4.2561 -4.2561 -3.6957 -3.6957 -3.6552 -3.6552 2.8988 2.8988 2.9511 2.9511 3.8047 3.8047 3.8926 3.8926 4.1577 4.1577 4.4015 4.4015 4.9215 4.9215 5.0758 5.0758 5.2152 5.2152 5.3615 5.3615 5.7251 5.7251 5.8678 5.8678 6.5181 6.5181 6.7415 6.7415 7.1610 7.1610 7.3998 7.3998 8.5519 8.5519 8.6975 8.6975 9.8791 9.8791 10.6221 10.6221 10.7436 10.7436 11.2508 11.2508 k = 0.3140 0.3454-0.0472 ( 7110 PWs) bands (ev): -54.0743 -54.0743 -54.0738 -54.0738 -28.4002 -28.4002 -28.3958 -28.3958 -20.7516 -20.7516 -20.7375 -20.7375 -20.6592 -20.6592 -20.6465 -20.6465 -6.3256 -6.3256 -6.2718 -6.2718 -4.5801 -4.5801 -4.2653 -4.2653 -3.7013 -3.7013 -3.6586 -3.6586 2.9488 2.9488 2.9924 2.9924 3.8200 3.8200 3.9094 3.9094 4.1659 4.1659 4.4159 4.4159 4.9129 4.9129 5.0885 5.0885 5.2191 5.2191 5.3901 5.3901 5.7182 5.7182 5.8814 5.8814 6.5351 6.5351 6.7890 6.7890 7.1720 7.1720 7.4000 7.4000 8.5477 8.5477 8.6742 8.6742 9.8766 9.8766 10.5905 10.5905 10.7053 10.7053 11.2227 11.2227 k = 0.3023 0.3454-0.0472 ( 7112 PWs) bands (ev): -54.0744 -54.0744 -54.0739 -54.0739 -28.3998 -28.3998 -28.3952 -28.3952 -20.7494 -20.7494 -20.7346 -20.7346 -20.6598 -20.6598 -20.6465 -20.6465 -6.3397 -6.3397 -6.2842 -6.2842 -4.6070 -4.6070 -4.2747 -4.2747 -3.7074 -3.7074 -3.6626 -3.6626 2.9995 2.9995 3.0321 3.0321 3.8365 3.8365 3.9273 3.9273 4.1757 4.1757 4.4278 4.4278 4.9046 4.9046 5.0977 5.0977 5.2249 5.2249 5.4246 5.4246 5.7122 5.7122 5.9013 5.9013 6.5518 6.5518 6.8381 6.8381 7.1856 7.1856 7.3996 7.3996 8.5449 8.5449 8.6493 8.6493 9.8760 9.8760 10.5451 10.5451 10.6739 10.6739 11.1934 11.1934 k = 0.2907 0.3454-0.0472 ( 7114 PWs) bands (ev): -54.0745 -54.0745 -54.0740 -54.0740 -28.3994 -28.3994 -28.3947 -28.3947 -20.7470 -20.7470 -20.7317 -20.7317 -20.6603 -20.6603 -20.6464 -20.6464 -6.3541 -6.3541 -6.2971 -6.2971 -4.6337 -4.6337 -4.2842 -4.2842 -3.7140 -3.7140 -3.6669 -3.6669 3.0489 3.0489 3.0704 3.0704 3.8543 3.8543 3.9464 3.9464 4.1874 4.1874 4.4375 4.4375 4.8972 4.8972 5.1022 5.1022 5.2337 5.2337 5.4640 5.4640 5.7072 5.7072 5.9276 5.9276 6.5687 6.5687 6.8882 6.8882 7.2021 7.2021 7.3992 7.3992 8.5436 8.5436 8.6229 8.6229 9.8769 9.8769 10.4926 10.4926 10.6426 10.6426 11.1648 11.1648 k = 0.2791 0.3454-0.0472 ( 7112 PWs) bands (ev): -54.0746 -54.0746 -54.0741 -54.0741 -28.3990 -28.3990 -28.3941 -28.3941 -20.7446 -20.7446 -20.7288 -20.7288 -20.6607 -20.6607 -20.6463 -20.6463 -6.3688 -6.3688 -6.3103 -6.3103 -4.6600 -4.6600 -4.2936 -4.2936 -3.7209 -3.7209 -3.6716 -3.6716 3.0905 3.0905 3.1121 3.1121 3.8737 3.8737 3.9670 3.9670 4.2013 4.2013 4.4457 4.4457 4.8915 4.8915 5.1019 5.1019 5.2456 5.2456 5.5071 5.5071 5.7033 5.7033 5.9598 5.9598 6.5859 6.5859 6.9384 6.9384 7.2213 7.2213 7.3994 7.3994 8.5433 8.5433 8.5957 8.5957 9.8788 9.8788 10.4376 10.4376 10.6072 10.6072 11.1383 11.1383 k = 0.2674 0.3454-0.0472 ( 7110 PWs) bands (ev): -54.0747 -54.0747 -54.0741 -54.0741 -28.3986 -28.3986 -28.3935 -28.3935 -20.7423 -20.7423 -20.7260 -20.7260 -20.6610 -20.6610 -20.6462 -20.6462 -6.3836 -6.3836 -6.3239 -6.3239 -4.6858 -4.6858 -4.3029 -4.3029 -3.7283 -3.7283 -3.6767 -3.6767 3.1202 3.1202 3.1599 3.1599 3.8947 3.8947 3.9891 3.9891 4.2177 4.2177 4.4533 4.4533 4.8880 4.8880 5.0977 5.0977 5.2595 5.2595 5.5527 5.5527 5.7008 5.7008 5.9974 5.9974 6.6040 6.6040 6.9879 6.9879 7.2432 7.2432 7.4011 7.4011 8.5428 8.5428 8.5692 8.5692 9.8812 9.8812 10.3825 10.3825 10.5659 10.5659 11.1145 11.1145 k = 0.2558 0.3454-0.0472 ( 7100 PWs) bands (ev): -54.0748 -54.0748 -54.0742 -54.0742 -28.3981 -28.3981 -28.3929 -28.3929 -20.7399 -20.7399 -20.7232 -20.7232 -20.6612 -20.6612 -20.6460 -20.6460 -6.3984 -6.3984 -6.3376 -6.3376 -4.7111 -4.7111 -4.3120 -4.3120 -3.7359 -3.7359 -3.6821 -3.6821 3.1420 3.1420 3.2081 3.2081 3.9175 3.9175 4.0131 4.0131 4.2363 4.2363 4.4614 4.4614 4.8876 4.8876 5.0908 5.0908 5.2740 5.2740 5.5992 5.5992 5.7005 5.7005 6.0393 6.0393 6.6237 6.6237 7.0355 7.0355 7.2679 7.2679 7.4055 7.4055 8.5311 8.5311 8.5546 8.5546 9.8835 9.8835 10.3286 10.3286 10.5184 10.5184 11.0938 11.0938 k = 0.2442 0.3454-0.0472 ( 7096 PWs) bands (ev): -54.0749 -54.0749 -54.0743 -54.0743 -28.3977 -28.3977 -28.3923 -28.3923 -20.7376 -20.7376 -20.7205 -20.7205 -20.6613 -20.6613 -20.6458 -20.6458 -6.4133 -6.4133 -6.3516 -6.3516 -4.7357 -4.7357 -4.3209 -4.3209 -3.7438 -3.7438 -3.6878 -3.6878 3.1572 3.1572 3.2541 3.2541 3.9420 3.9420 4.0388 4.0388 4.2568 4.2568 4.4712 4.4712 4.8909 4.8909 5.0824 5.0824 5.2875 5.2875 5.6439 5.6439 5.7045 5.7045 6.0844 6.0844 6.6459 6.6459 7.0800 7.0800 7.2953 7.2953 7.4137 7.4137 8.5046 8.5046 8.5559 8.5559 9.8849 9.8849 10.2769 10.2769 10.4651 10.4651 11.0758 11.0758 k = 0.2326 0.3454-0.0472 ( 7096 PWs) bands (ev): -54.0750 -54.0750 -54.0743 -54.0743 -28.3972 -28.3972 -28.3918 -28.3918 -20.7353 -20.7353 -20.7179 -20.7179 -20.6613 -20.6613 -20.6455 -20.6455 -6.4282 -6.4282 -6.3655 -6.3655 -4.7595 -4.7595 -4.3296 -4.3296 -3.7519 -3.7519 -3.6936 -3.6936 3.1662 3.1662 3.2967 3.2967 3.9679 3.9679 4.0665 4.0665 4.2789 4.2789 4.4837 4.4837 4.8985 4.8985 5.0734 5.0734 5.2991 5.2991 5.6774 5.6774 5.7212 5.7212 6.1309 6.1309 6.6718 6.6718 7.1204 7.1204 7.3250 7.3250 7.4269 7.4269 8.4759 8.4759 8.5606 8.5606 9.8847 9.8847 10.2281 10.2281 10.4069 10.4069 11.0602 11.0602 k = 0.2209 0.3454-0.0472 ( 7096 PWs) bands (ev): -54.0751 -54.0751 -54.0744 -54.0744 -28.3968 -28.3968 -28.3912 -28.3912 -20.7332 -20.7332 -20.7155 -20.7155 -20.6612 -20.6612 -20.6452 -20.6452 -6.4429 -6.4429 -6.3794 -6.3794 -4.7826 -4.7826 -4.3379 -4.3379 -3.7601 -3.7601 -3.6996 -3.6996 3.1693 3.1693 3.3350 3.3350 3.9945 3.9945 4.0962 4.0962 4.3024 4.3024 4.4999 4.4999 4.9109 4.9109 5.0647 5.0647 5.3080 5.3080 5.6918 5.6918 5.7576 5.7576 6.1768 6.1768 6.7029 6.7029 7.1562 7.1562 7.3566 7.3566 7.4459 7.4459 8.4471 8.4471 8.5669 8.5669 9.8820 9.8820 10.1833 10.1833 10.3446 10.3446 11.0464 11.0464 k = 0.2093 0.3454-0.0472 ( 7108 PWs) bands (ev): -54.0752 -54.0752 -54.0745 -54.0745 -28.3964 -28.3964 -28.3907 -28.3907 -20.7312 -20.7312 -20.7132 -20.7132 -20.6609 -20.6609 -20.6448 -20.6448 -6.4574 -6.4574 -6.3932 -6.3932 -4.8048 -4.8048 -4.3459 -4.3459 -3.7683 -3.7683 -3.7057 -3.7057 3.1673 3.1673 3.3681 3.3681 4.0209 4.0209 4.1277 4.1277 4.3271 4.3271 4.5202 4.5202 4.9282 4.9282 5.0570 5.0570 5.3139 5.3139 5.7002 5.7002 5.7998 5.7998 6.2200 6.2200 6.7408 6.7408 7.1877 7.1877 7.3891 7.3891 7.4709 7.4709 8.4188 8.4188 8.5745 8.5745 9.8757 9.8757 10.1431 10.1431 10.2794 10.2794 11.0340 11.0340 k = 0.1977 0.3454-0.0472 ( 7106 PWs) bands (ev): -54.0753 -54.0753 -54.0746 -54.0746 -28.3959 -28.3959 -28.3902 -28.3902 -20.7292 -20.7292 -20.7110 -20.7110 -20.6605 -20.6605 -20.6444 -20.6444 -6.4716 -6.4716 -6.4068 -6.4068 -4.8260 -4.8260 -4.3535 -4.3535 -3.7765 -3.7765 -3.7118 -3.7118 3.1609 3.1609 3.3958 3.3958 4.0461 4.0461 4.1609 4.1609 4.3533 4.3533 4.5450 4.5450 4.9499 4.9499 5.0512 5.0512 5.3164 5.3164 5.7087 5.7087 5.8411 5.8411 6.2582 6.2582 6.7868 6.7868 7.2162 7.2162 7.4216 7.4216 7.5011 7.5011 8.3912 8.3912 8.5833 8.5833 9.8651 9.8651 10.1078 10.1078 10.2126 10.2126 11.0225 11.0225 k = 0.1860 0.3454-0.0472 ( 7094 PWs) bands (ev): -54.0754 -54.0754 -54.0746 -54.0746 -28.3954 -28.3954 -28.3897 -28.3897 -20.7274 -20.7274 -20.7090 -20.7090 -20.6600 -20.6600 -20.6439 -20.6439 -6.4855 -6.4855 -6.4201 -6.4201 -4.8463 -4.8463 -4.3608 -4.3608 -3.7847 -3.7847 -3.7178 -3.7178 3.1510 3.1510 3.4176 3.4176 4.0691 4.0691 4.1955 4.1955 4.3816 4.3816 4.5737 4.5737 4.9755 4.9755 5.0482 5.0482 5.3157 5.3157 5.7184 5.7184 5.8798 5.8798 6.2898 6.2898 6.8417 6.8417 7.2436 7.2436 7.4538 7.4538 7.5349 7.5349 8.3647 8.3647 8.5933 8.5933 9.8497 9.8497 10.0756 10.0756 10.1471 10.1471 11.0117 11.0117 k = 0.1744 0.3454-0.0472 ( 7096 PWs) bands (ev): -54.0755 -54.0755 -54.0747 -54.0747 -28.3950 -28.3950 -28.3892 -28.3892 -20.7258 -20.7258 -20.7072 -20.7072 -20.6593 -20.6593 -20.6433 -20.6433 -6.4990 -6.4990 -6.4330 -6.4330 -4.8655 -4.8655 -4.3676 -4.3676 -3.7927 -3.7927 -3.7238 -3.7238 3.1383 3.1383 3.4339 3.4339 4.0889 4.0889 4.2311 4.2311 4.4127 4.4127 4.6053 4.6053 5.0037 5.0037 5.0492 5.0492 5.3119 5.3119 5.7291 5.7291 5.9156 5.9156 6.3139 6.3139 6.9054 6.9054 7.2715 7.2715 7.4853 7.4853 7.5701 7.5701 8.3395 8.3395 8.6045 8.6045 9.8298 9.8298 10.0368 10.0368 10.0928 10.0928 11.0014 11.0014 k = 0.1628 0.3454-0.0472 ( 7092 PWs) bands (ev): -54.0755 -54.0755 -54.0748 -54.0748 -28.3946 -28.3946 -28.3887 -28.3887 -20.7243 -20.7243 -20.7055 -20.7055 -20.6586 -20.6586 -20.6427 -20.6427 -6.5120 -6.5120 -6.4455 -6.4455 -4.8837 -4.8837 -4.3741 -4.3741 -3.8005 -3.8005 -3.7297 -3.7297 3.1236 3.1236 3.4451 3.4451 4.1051 4.1051 4.2675 4.2675 4.4471 4.4471 4.6382 4.6382 5.0330 5.0330 5.0560 5.0560 5.3052 5.3052 5.7401 5.7401 5.9492 5.9492 6.3305 6.3305 6.9769 6.9769 7.3010 7.3010 7.5163 7.5163 7.6048 7.6048 8.3157 8.3157 8.6169 8.6169 9.8067 9.8067 9.9787 9.9787 10.0621 10.0621 10.9916 10.9916 k = 0.1512 0.3454-0.0472 ( 7088 PWs) bands (ev): -54.0756 -54.0756 -54.0748 -54.0748 -28.3942 -28.3942 -28.3883 -28.3883 -20.7229 -20.7229 -20.7040 -20.7040 -20.6577 -20.6577 -20.6420 -20.6420 -6.5244 -6.5244 -6.4575 -6.4575 -4.9007 -4.9007 -4.3801 -4.3801 -3.8080 -3.8080 -3.7354 -3.7354 3.1076 3.1076 3.4517 3.4517 4.1173 4.1173 4.3043 4.3043 4.4850 4.4850 4.6701 4.6701 5.0610 5.0610 5.0706 5.0706 5.2962 5.2962 5.7503 5.7503 5.9817 5.9817 6.3399 6.3399 7.0542 7.0542 7.3327 7.3327 7.5468 7.5468 7.6377 7.6377 8.2936 8.2936 8.6304 8.6304 9.7813 9.7813 9.9113 9.9113 10.0441 10.0441 10.9824 10.9824 k = 0.1395 0.3454-0.0472 ( 7084 PWs) bands (ev): -54.0757 -54.0757 -54.0749 -54.0749 -28.3938 -28.3938 -28.3878 -28.3878 -20.7218 -20.7218 -20.7027 -20.7027 -20.6568 -20.6568 -20.6413 -20.6413 -6.5362 -6.5362 -6.4688 -6.4688 -4.9166 -4.9166 -4.3857 -4.3857 -3.8152 -3.8152 -3.7409 -3.7409 3.0909 3.0909 3.4544 3.4544 4.1259 4.1259 4.3415 4.3415 4.5262 4.5262 4.6989 4.6989 5.0863 5.0863 5.0942 5.0942 5.2857 5.2857 5.7579 5.7579 6.0151 6.0151 6.3427 6.3427 7.1353 7.1353 7.3668 7.3668 7.5771 7.5771 7.6678 7.6678 8.2733 8.2733 8.6447 8.6447 9.7540 9.7540 9.8437 9.8437 10.0301 10.0301 10.9740 10.9740 k = 0.1279 0.3454-0.0472 ( 7086 PWs) bands (ev): -54.0758 -54.0758 -54.0750 -54.0750 -28.3935 -28.3935 -28.3874 -28.3874 -20.7208 -20.7208 -20.7015 -20.7015 -20.6558 -20.6558 -20.6406 -20.6406 -6.5473 -6.5473 -6.4796 -6.4796 -4.9313 -4.9313 -4.3909 -4.3909 -3.8220 -3.8220 -3.7461 -3.7461 3.0739 3.0739 3.4542 3.4542 4.1313 4.1313 4.3790 4.3790 4.5700 4.5700 4.7232 4.7232 5.1131 5.1131 5.1209 5.1209 5.2755 5.2755 5.7612 5.7612 6.0510 6.0510 6.3396 6.3396 7.2172 7.2172 7.4029 7.4029 7.6075 7.6075 7.6947 7.6947 8.2549 8.2549 8.6597 8.6597 9.7217 9.7217 9.7824 9.7824 10.0170 10.0170 10.9666 10.9666 k = 0.1163 0.3454-0.0472 ( 7084 PWs) bands (ev): -54.0758 -54.0758 -54.0750 -54.0750 -28.3932 -28.3932 -28.3870 -28.3870 -20.7199 -20.7199 -20.7005 -20.7005 -20.6549 -20.6549 -20.6399 -20.6399 -6.5576 -6.5576 -6.4896 -6.4896 -4.9449 -4.9449 -4.3956 -4.3956 -3.8284 -3.8284 -3.7509 -3.7509 3.0573 3.0573 3.4517 3.4517 4.1341 4.1341 4.4165 4.4165 4.6151 4.6151 4.7430 4.7430 5.1348 5.1348 5.1520 5.1520 5.2700 5.2700 5.7588 5.7588 6.0907 6.0907 6.3311 6.3311 7.2960 7.2960 7.4412 7.4412 7.6388 7.6388 7.7185 7.7185 8.2385 8.2385 8.6751 8.6751 9.6753 9.6753 9.7385 9.7385 10.0032 10.0032 10.9604 10.9604 k = 0.1047 0.3454-0.0472 ( 7082 PWs) bands (ev): -54.0759 -54.0759 -54.0751 -54.0751 -28.3929 -28.3929 -28.3867 -28.3867 -20.7192 -20.7192 -20.6995 -20.6995 -20.6539 -20.6539 -20.6392 -20.6392 -6.5672 -6.5672 -6.4988 -6.4988 -4.9571 -4.9571 -4.3999 -4.3999 -3.8343 -3.8343 -3.7555 -3.7555 3.0413 3.0413 3.4475 3.4475 4.1349 4.1349 4.4540 4.4540 4.6596 4.6596 4.7600 4.7600 5.1472 5.1472 5.1795 5.1795 5.2798 5.2798 5.7502 5.7502 6.1342 6.1342 6.3182 6.3182 7.3657 7.3657 7.4831 7.4831 7.6715 7.6715 7.7403 7.7403 8.2241 8.2241 8.6903 8.6903 9.6168 9.6168 9.7113 9.7113 9.9880 9.9880 10.9559 10.9559 k = 0.0930 0.3454-0.0472 ( 7086 PWs) bands (ev): -54.0759 -54.0759 -54.0751 -54.0751 -28.3926 -28.3926 -28.3864 -28.3864 -20.7185 -20.7185 -20.6988 -20.6988 -20.6529 -20.6529 -20.6385 -20.6385 -6.5759 -6.5759 -6.5072 -6.5072 -4.9682 -4.9682 -4.4038 -4.4038 -3.8397 -3.8397 -3.7596 -3.7596 3.0262 3.0262 3.4424 3.4424 4.1343 4.1343 4.4910 4.4910 4.6995 4.6995 4.7786 4.7786 5.1469 5.1469 5.1956 5.1956 5.3142 5.3142 5.7359 5.7359 6.1793 6.1793 6.3024 6.3024 7.4197 7.4197 7.5298 7.5298 7.7059 7.7059 7.7625 7.7625 8.2119 8.2119 8.7052 8.7052 9.5566 9.5566 9.6915 9.6915 9.9707 9.9707 10.9533 10.9533 k = 0.0814 0.3454-0.0472 ( 7096 PWs) bands (ev): -54.0760 -54.0760 -54.0752 -54.0752 -28.3924 -28.3924 -28.3862 -28.3862 -20.7181 -20.7181 -20.6982 -20.6982 -20.6520 -20.6520 -20.6379 -20.6379 -6.5837 -6.5837 -6.5147 -6.5147 -4.9780 -4.9780 -4.4072 -4.4072 -3.8445 -3.8445 -3.7634 -3.7634 3.0124 3.0124 3.4368 3.4368 4.1328 4.1328 4.5272 4.5272 4.7286 4.7286 4.8057 4.8057 5.1344 5.1344 5.2063 5.2063 5.3650 5.3650 5.7168 5.7168 6.2186 6.2186 6.2902 6.2902 7.4566 7.4566 7.5763 7.5763 7.7412 7.7412 7.7896 7.7896 8.2020 8.2020 8.7191 8.7191 9.4993 9.4993 9.6756 9.6756 9.9513 9.9513 10.9530 10.9530 k = 0.0698 0.3454-0.0472 ( 7086 PWs) bands (ev): -54.0760 -54.0760 -54.0752 -54.0752 -28.3921 -28.3921 -28.3859 -28.3859 -20.7176 -20.7176 -20.6976 -20.6976 -20.6511 -20.6511 -20.6373 -20.6373 -6.5905 -6.5905 -6.5214 -6.5214 -4.9865 -4.9865 -4.4102 -4.4102 -3.8488 -3.8488 -3.7667 -3.7667 3.0000 3.0000 3.4311 3.4311 4.1308 4.1308 4.5616 4.5616 4.7456 4.7456 4.8428 4.8428 5.1145 5.1145 5.2150 5.2150 5.4222 5.4222 5.6945 5.6945 6.2262 6.2262 6.3061 6.3061 7.4811 7.4811 7.6126 7.6126 7.7747 7.7747 7.8272 7.8272 8.1943 8.1943 8.7316 8.7316 9.4467 9.4467 9.6624 9.6624 9.9301 9.9301 10.9554 10.9554 k = 0.0581 0.3454-0.0472 ( 7094 PWs) bands (ev): -54.0761 -54.0761 -54.0752 -54.0752 -28.3919 -28.3919 -28.3858 -28.3858 -20.7173 -20.7173 -20.6972 -20.6972 -20.6504 -20.6504 -20.6368 -20.6368 -6.5963 -6.5963 -6.5270 -6.5270 -4.9937 -4.9937 -4.4127 -4.4127 -3.8525 -3.8525 -3.7695 -3.7695 2.9892 2.9892 3.4258 3.4258 4.1286 4.1286 4.5933 4.5933 4.7567 4.7567 4.8840 4.8840 5.0912 5.0912 5.2218 5.2218 5.4800 5.4800 5.6711 5.6711 6.2047 6.2047 6.3460 6.3460 7.4978 7.4978 7.6344 7.6344 7.8045 7.8045 7.8745 7.8745 8.1889 8.1889 8.7426 8.7426 9.4002 9.4002 9.6514 9.6514 9.9079 9.9079 10.9607 10.9607 k = 0.0465 0.3454-0.0472 ( 7102 PWs) bands (ev): -54.0761 -54.0761 -54.0752 -54.0752 -28.3918 -28.3918 -28.3857 -28.3857 -20.7171 -20.7171 -20.6968 -20.6968 -20.6498 -20.6498 -20.6364 -20.6364 -6.6012 -6.6012 -6.5317 -6.5317 -4.9996 -4.9996 -4.4147 -4.4147 -3.8555 -3.8555 -3.7719 -3.7719 2.9802 2.9802 3.4210 3.4210 4.1266 4.1266 4.6209 4.6209 4.7665 4.7665 4.9241 4.9241 5.0667 5.0667 5.2266 5.2266 5.5332 5.5332 5.6503 5.6503 6.1756 6.1756 6.3874 6.3874 7.5091 7.5091 7.6443 7.6443 7.8306 7.8306 7.9244 7.9244 8.1857 8.1857 8.7517 8.7517 9.3608 9.3608 9.6424 9.6424 9.8861 9.8861 10.9694 10.9694 k = 0.0349 0.3454-0.0472 ( 7104 PWs) bands (ev): -54.0761 -54.0761 -54.0753 -54.0753 -28.3917 -28.3917 -28.3855 -28.3855 -20.7169 -20.7169 -20.6966 -20.6966 -20.6493 -20.6493 -20.6360 -20.6360 -6.6049 -6.6049 -6.5354 -6.5354 -5.0042 -5.0042 -4.4163 -4.4163 -3.8579 -3.8579 -3.7737 -3.7737 2.9730 2.9730 3.4171 3.4171 4.1247 4.1247 4.6429 4.6429 4.7772 4.7772 4.9594 4.9594 5.0435 5.0435 5.2296 5.2296 5.5702 5.5702 5.6425 5.6425 6.1451 6.1451 6.4236 6.4236 7.5166 7.5166 7.6472 7.6472 7.8520 7.8520 7.9696 7.9696 8.1843 8.1843 8.7588 8.7588 9.3293 9.3293 9.6351 9.6351 9.8664 9.8664 10.9816 10.9816 k = 0.0233 0.3454-0.0472 ( 7104 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3916 -28.3916 -28.3854 -28.3854 -20.7167 -20.7167 -20.6964 -20.6964 -20.6489 -20.6489 -20.6358 -20.6358 -6.6077 -6.6077 -6.5380 -6.5380 -5.0075 -5.0075 -4.4174 -4.4174 -3.8596 -3.8596 -3.7750 -3.7750 2.9679 2.9679 3.4142 3.4142 4.1234 4.1234 4.6583 4.6583 4.7887 4.7887 4.9850 4.9850 5.0258 5.0258 5.2310 5.2310 5.5762 5.5762 5.6610 5.6610 6.1174 6.1174 6.4515 6.4515 7.5214 7.5214 7.6468 7.6468 7.8678 7.8678 8.0053 8.0053 8.1840 8.1840 8.7639 8.7639 9.3063 9.3063 9.6296 9.6296 9.8508 9.8508 10.9971 10.9971 k = 0.0116 0.3454-0.0472 ( 7098 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3915 -28.3915 -28.3854 -28.3854 -20.7166 -20.7166 -20.6963 -20.6963 -20.6486 -20.6486 -20.6356 -20.6356 -6.6093 -6.6093 -6.5396 -6.5396 -5.0095 -5.0095 -4.4181 -4.4181 -3.8606 -3.8606 -3.7758 -3.7758 2.9648 2.9648 3.4124 3.4124 4.1225 4.1225 4.6671 4.6671 4.7983 4.7983 4.9921 4.9921 5.0226 5.0226 5.2313 5.2313 5.5697 5.5697 5.6846 5.6846 6.0972 6.0972 6.4692 6.4692 7.5241 7.5241 7.6455 7.6455 7.8775 7.8775 8.0280 8.0280 8.1842 8.1842 8.7670 8.7670 9.2924 9.2924 9.6261 9.6261 9.8406 9.8406 11.0152 11.0152 k = 0.0000 0.3454-0.0472 ( 7104 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3915 -28.3915 -28.3854 -28.3854 -20.7166 -20.7166 -20.6963 -20.6963 -20.6486 -20.6486 -20.6356 -20.6356 -6.6098 -6.6098 -6.5401 -6.5401 -5.0101 -5.0101 -4.4184 -4.4184 -3.8609 -3.8609 -3.7761 -3.7761 2.9637 2.9637 3.4118 3.4118 4.1222 4.1222 4.6700 4.6700 4.8022 4.8022 4.9902 4.9902 5.0256 5.0256 5.2313 5.2313 5.5665 5.5665 5.6941 5.6941 6.0897 6.0897 6.4752 6.4752 7.5249 7.5249 7.6449 7.6449 7.8807 7.8807 8.0358 8.0358 8.1844 8.1844 8.7680 8.7680 9.2877 9.2877 9.6249 9.6249 9.8371 9.8371 11.0280 11.0280 k = 0.0000 0.3454-0.0472 ( 7104 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3915 -28.3915 -28.3854 -28.3854 -20.7166 -20.7166 -20.6963 -20.6963 -20.6486 -20.6486 -20.6356 -20.6356 -6.6098 -6.6098 -6.5401 -6.5401 -5.0101 -5.0101 -4.4184 -4.4184 -3.8609 -3.8609 -3.7761 -3.7761 2.9637 2.9637 3.4118 3.4118 4.1222 4.1222 4.6700 4.6700 4.8022 4.8022 4.9902 4.9902 5.0256 5.0256 5.2313 5.2313 5.5665 5.5665 5.6941 5.6941 6.0897 6.0897 6.4752 6.4752 7.5249 7.5249 7.6449 7.6449 7.8807 7.8807 8.0358 8.0358 8.1844 8.1844 8.7680 8.7680 9.2877 9.2877 9.6249 9.6249 9.8371 9.8371 11.0280 11.0280 k = 0.0000 0.3470-0.0355 ( 7106 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3915 -28.3915 -28.3854 -28.3854 -20.7166 -20.7166 -20.6963 -20.6963 -20.6486 -20.6486 -20.6356 -20.6356 -6.6097 -6.6097 -6.5402 -6.5402 -5.0103 -5.0103 -4.4188 -4.4188 -3.8602 -3.8602 -3.7761 -3.7761 2.9617 2.9617 3.4094 3.4094 4.1232 4.1232 4.6735 4.6735 4.8018 4.8018 4.9900 4.9900 5.0255 5.0255 5.2323 5.2323 5.5680 5.5680 5.6967 5.6967 6.0906 6.0906 6.4761 6.4761 7.5195 7.5195 7.6441 7.6441 7.8805 7.8805 8.0341 8.0341 8.1821 8.1821 8.7665 8.7665 9.2873 9.2873 9.6245 9.6245 9.8392 9.8392 11.0293 11.0293 k = 0.0000 0.3486-0.0238 ( 7102 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3915 -28.3915 -28.3854 -28.3854 -20.7166 -20.7166 -20.6962 -20.6962 -20.6486 -20.6486 -20.6356 -20.6356 -6.6093 -6.6093 -6.5406 -6.5406 -5.0108 -5.0108 -4.4200 -4.4200 -3.8579 -3.8579 -3.7759 -3.7759 2.9558 2.9558 3.4022 3.4022 4.1263 4.1263 4.6836 4.6836 4.8012 4.8012 4.9897 4.9897 5.0255 5.0255 5.2351 5.2351 5.5720 5.5720 5.7047 5.7047 6.0934 6.0934 6.4787 6.4787 7.5032 7.5032 7.6414 7.6414 7.8798 7.8798 8.0290 8.0290 8.1758 8.1758 8.7618 8.7618 9.2862 9.2862 9.6232 9.6232 9.8455 9.8455 11.0330 11.0330 k = 0.0000 0.3502-0.0121 ( 7103 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3915 -28.3915 -28.3854 -28.3854 -20.7167 -20.7167 -20.6962 -20.6962 -20.6486 -20.6486 -20.6356 -20.6356 -6.6087 -6.6087 -6.5413 -6.5413 -5.0116 -5.0116 -4.4220 -4.4220 -3.8542 -3.8542 -3.7757 -3.7757 2.9464 2.9464 3.3907 3.3907 4.1310 4.1310 4.6980 4.6980 4.8023 4.8023 4.9891 4.9891 5.0254 5.0254 5.2395 5.2395 5.5774 5.5774 5.7188 5.7188 6.0980 6.0980 6.4830 6.4830 7.4765 7.4765 7.6366 7.6366 7.8787 7.8787 8.0208 8.0208 8.1664 8.1664 8.7535 8.7535 9.2847 9.2847 9.6209 9.6209 9.8558 9.8558 11.0391 11.0391 k = 0.0000 0.3518-0.0004 ( 7110 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3915 -28.3915 -28.3854 -28.3854 -20.7167 -20.7167 -20.6963 -20.6963 -20.6486 -20.6486 -20.6356 -20.6356 -6.6078 -6.6078 -6.5422 -6.5422 -5.0127 -5.0127 -4.4248 -4.4248 -3.8491 -3.8491 -3.7755 -3.7755 2.9341 2.9341 3.3752 3.3752 4.1369 4.1369 4.7119 4.7119 4.8097 4.8097 4.9884 4.9884 5.0256 5.0256 5.2453 5.2453 5.5830 5.5830 5.7395 5.7395 6.1045 6.1045 6.4888 6.4888 7.4397 7.4397 7.6294 7.6294 7.8771 7.8771 8.0096 8.0096 8.1557 8.1557 8.7412 8.7412 9.2833 9.2833 9.6174 9.6174 9.8698 9.8698 11.0472 11.0472 k = 0.0000 0.3533 0.0113 ( 7098 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3915 -28.3915 -28.3853 -28.3853 -20.7166 -20.7166 -20.6962 -20.6962 -20.6486 -20.6486 -20.6356 -20.6356 -6.6068 -6.6068 -6.5432 -6.5432 -5.0140 -5.0140 -4.4281 -4.4281 -3.8427 -3.8427 -3.7753 -3.7753 2.9197 2.9197 3.3564 3.3564 4.1437 4.1437 4.7193 4.7193 4.8283 4.8283 4.9879 4.9879 5.0262 5.0262 5.2523 5.2523 5.5880 5.5880 5.7665 5.7665 6.1131 6.1131 6.4961 6.4961 7.3935 7.3935 7.6195 7.6195 7.8750 7.8750 7.9959 7.9959 8.1454 8.1454 8.7244 8.7244 9.2824 9.2824 9.6126 9.6126 9.8872 9.8872 11.0572 11.0572 k = 0.0000 0.3549 0.0230 ( 7101 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3915 -28.3915 -28.3854 -28.3854 -20.7166 -20.7166 -20.6962 -20.6962 -20.6486 -20.6486 -20.6356 -20.6356 -6.6057 -6.6057 -6.5443 -6.5443 -5.0154 -5.0154 -4.4320 -4.4320 -3.8354 -3.8354 -3.7751 -3.7751 2.9038 2.9038 3.3351 3.3351 4.1509 4.1509 4.7186 4.7186 4.8582 4.8582 4.9886 4.9886 5.0275 5.0275 5.2602 5.2602 5.5923 5.5923 5.7988 5.7988 6.1239 6.1239 6.5045 6.5045 7.3389 7.3389 7.6066 7.6066 7.8724 7.8724 7.9802 7.9802 8.1369 8.1369 8.7031 8.7031 9.2825 9.2825 9.6066 9.6066 9.9071 9.9071 11.0685 11.0685 k = 0.0000 0.3565 0.0347 ( 7101 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3915 -28.3915 -28.3854 -28.3854 -20.7167 -20.7167 -20.6962 -20.6962 -20.6486 -20.6486 -20.6356 -20.6356 -6.6047 -6.6047 -6.5455 -6.5455 -5.0169 -5.0169 -4.4363 -4.4363 -3.8271 -3.8271 -3.7750 -3.7750 2.8874 2.8874 3.3120 3.3120 4.1582 4.1582 4.7126 4.7126 4.8927 4.8927 4.9922 4.9922 5.0305 5.0305 5.2685 5.2685 5.5962 5.5962 5.8346 5.8346 6.1372 6.1372 6.5140 6.5140 7.2773 7.2773 7.5906 7.5906 7.8693 7.8693 7.9629 7.9629 8.1314 8.1314 8.6777 8.6777 9.2837 9.2837 9.5996 9.5996 9.9290 9.9290 11.0808 11.0808 k = 0.0000 0.3581 0.0464 ( 7099 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3915 -28.3915 -28.3854 -28.3854 -20.7166 -20.7166 -20.6962 -20.6962 -20.6486 -20.6486 -20.6356 -20.6356 -6.6038 -6.6038 -6.5466 -6.5466 -5.0183 -5.0183 -4.4409 -4.4409 -3.8184 -3.8184 -3.7749 -3.7749 2.8712 2.8712 3.2876 3.2876 4.1653 4.1653 4.7040 4.7040 4.9218 4.9218 5.0010 5.0010 5.0392 5.0392 5.2769 5.2769 5.6007 5.6007 5.8718 5.8718 6.1534 6.1534 6.5243 6.5243 7.2105 7.2105 7.5714 7.5714 7.8658 7.8658 7.9447 7.9447 8.1298 8.1298 8.6487 8.6487 9.2861 9.2861 9.5918 9.5918 9.9518 9.9518 11.0936 11.0936 k = 0.0000 0.3597 0.0581 ( 7107 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3915 -28.3915 -28.3854 -28.3854 -20.7167 -20.7167 -20.6962 -20.6962 -20.6486 -20.6486 -20.6356 -20.6356 -6.6032 -6.6032 -6.5474 -6.5474 -5.0197 -5.0197 -4.4457 -4.4457 -3.8096 -3.8096 -3.7746 -3.7746 2.8559 2.8559 3.2628 3.2628 4.1721 4.1721 4.6943 4.6943 4.9376 4.9376 5.0105 5.0105 5.0629 5.0629 5.2851 5.2851 5.6065 5.6065 5.9082 5.9082 6.1728 6.1728 6.5350 6.5350 7.1407 7.1407 7.5491 7.5491 7.8620 7.8620 7.9259 7.9259 8.1324 8.1324 8.6170 8.6170 9.2898 9.2898 9.5834 9.5834 9.9749 9.9749 11.1064 11.1064 k = 0.0000 0.3613 0.0698 ( 7108 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3915 -28.3915 -28.3854 -28.3854 -20.7167 -20.7167 -20.6962 -20.6962 -20.6486 -20.6486 -20.6356 -20.6356 -6.6030 -6.6030 -6.5479 -6.5479 -5.0209 -5.0209 -4.4505 -4.4505 -3.8017 -3.8017 -3.7734 -3.7734 2.8420 2.8420 3.2381 3.2381 4.1784 4.1784 4.6844 4.6844 4.9431 4.9431 5.0151 5.0151 5.1013 5.1013 5.2924 5.2924 5.6148 5.6148 5.9414 5.9414 6.1954 6.1954 6.5460 6.5460 7.0705 7.0705 7.5239 7.5239 7.8583 7.8583 7.9071 7.9071 8.1392 8.1392 8.5838 8.5838 9.2945 9.2945 9.5746 9.5746 9.9975 9.9975 11.1187 11.1187 k = 0.0000 0.3629 0.0814 ( 7110 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3915 -28.3915 -28.3854 -28.3854 -20.7167 -20.7167 -20.6962 -20.6962 -20.6485 -20.6485 -20.6356 -20.6356 -6.6034 -6.6034 -6.5480 -6.5480 -5.0218 -5.0218 -4.4551 -4.4551 -3.7961 -3.7961 -3.7701 -3.7701 2.8300 2.8300 3.2141 3.2141 4.1843 4.1843 4.6748 4.6748 4.9440 4.9440 5.0172 5.0172 5.1437 5.1437 5.2983 5.2983 5.6265 5.6265 5.9701 5.9701 6.2205 6.2205 6.5570 6.5570 7.0030 7.0030 7.4964 7.4964 7.8546 7.8546 7.8892 7.8892 8.1498 8.1498 8.5504 8.5504 9.3001 9.3001 9.5657 9.5657 10.0188 10.0188 11.1301 11.1301 k = 0.0000 0.3645 0.0931 ( 7118 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3915 -28.3915 -28.3855 -28.3855 -20.7167 -20.7167 -20.6963 -20.6963 -20.6486 -20.6486 -20.6357 -20.6357 -6.6044 -6.6044 -6.5475 -6.5475 -5.0224 -5.0224 -4.4596 -4.4596 -3.7939 -3.7939 -3.7638 -3.7638 2.8204 2.8204 3.1914 3.1914 4.1897 4.1897 4.6659 4.6659 4.9432 4.9432 5.0183 5.0183 5.1832 5.1832 5.3019 5.3019 5.6422 5.6422 5.9935 5.9935 6.2464 6.2464 6.5677 6.5677 6.9415 6.9415 7.4672 7.4672 7.8500 7.8500 7.8740 7.8740 8.1638 8.1638 8.5182 8.5182 9.3063 9.3063 9.5569 9.5569 10.0383 10.0383 11.1400 11.1400 k = 0.0000 0.3661 0.1048 ( 7122 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3915 -28.3915 -28.3855 -28.3855 -20.7167 -20.7167 -20.6963 -20.6963 -20.6486 -20.6486 -20.6357 -20.6357 -6.6061 -6.6061 -6.5464 -6.5464 -5.0227 -5.0227 -4.4637 -4.4637 -3.7946 -3.7946 -3.7553 -3.7553 2.8135 2.8135 3.1702 3.1702 4.1944 4.1944 4.6579 4.6579 4.9416 4.9416 5.0190 5.0190 5.2165 5.2165 5.3026 5.3026 5.6609 5.6609 6.0118 6.0118 6.2707 6.2707 6.5777 6.5777 6.8901 6.8901 7.4375 7.4375 7.8414 7.8414 7.8651 7.8651 8.1798 8.1798 8.4890 8.4890 9.3129 9.3129 9.5484 9.5484 10.0555 10.0555 11.1482 11.1482 k = 0.5000 0.3246 0.1992 ( 7114 PWs) bands (ev): -54.0734 -54.0734 -54.0734 -54.0734 -28.4022 -28.4022 -28.4022 -28.4022 -20.7690 -20.7690 -20.7690 -20.7690 -20.6493 -20.6493 -20.6493 -20.6493 -6.1856 -6.1856 -6.1854 -6.1854 -4.2306 -4.2306 -4.2283 -4.2283 -3.6476 -3.6476 -3.6473 -3.6473 2.4138 2.4138 2.4159 2.4159 3.9413 3.9413 3.9678 3.9678 4.1934 4.1934 4.2197 4.2197 4.7881 4.7881 4.8175 4.8175 5.1734 5.1734 5.1781 5.1781 5.8324 5.8324 5.8335 5.8335 6.4831 6.4831 6.5082 6.5082 7.0563 7.0563 7.0690 7.0690 8.7454 8.7454 8.7520 8.7520 10.3587 10.3587 10.3727 10.3727 11.3330 11.3330 11.3569 11.3569 k = 0.5000 0.3130 0.1992 ( 7118 PWs) bands (ev): -54.0734 -54.0734 -54.0734 -54.0734 -28.4022 -28.4022 -28.4022 -28.4022 -20.7690 -20.7690 -20.7690 -20.7690 -20.6493 -20.6493 -20.6492 -20.6492 -6.1898 -6.1898 -6.1897 -6.1897 -4.2329 -4.2329 -4.2293 -4.2293 -3.6368 -3.6368 -3.6363 -3.6363 2.4185 2.4185 2.4216 2.4216 3.9208 3.9208 3.9672 3.9672 4.1984 4.1984 4.2425 4.2425 4.7693 4.7693 4.8018 4.8018 5.1289 5.1289 5.1307 5.1307 5.8457 5.8457 5.8464 5.8464 6.4813 6.4813 6.5125 6.5125 7.0531 7.0531 7.0768 7.0768 8.8029 8.8029 8.8116 8.8116 10.3547 10.3547 10.3839 10.3839 11.3319 11.3319 11.3551 11.3551 k = 0.5000 0.3014 0.1992 ( 7114 PWs) bands (ev): -54.0734 -54.0734 -54.0734 -54.0734 -28.4022 -28.4022 -28.4022 -28.4022 -20.7690 -20.7690 -20.7690 -20.7690 -20.6492 -20.6492 -20.6492 -20.6492 -6.1959 -6.1959 -6.1957 -6.1957 -4.2359 -4.2359 -4.2311 -4.2311 -3.6214 -3.6214 -3.6208 -3.6208 2.4254 2.4254 2.4294 2.4294 3.8962 3.8962 3.9556 3.9556 4.2146 4.2146 4.2698 4.2698 4.7465 4.7465 4.7826 4.7826 5.0651 5.0651 5.0715 5.0715 5.8603 5.8603 5.8612 5.8612 6.4775 6.4775 6.5136 6.5136 7.0542 7.0542 7.0888 7.0888 8.8836 8.8836 8.8940 8.8940 10.3491 10.3491 10.3929 10.3929 11.3309 11.3309 11.3531 11.3531 k = 0.5000 0.2898 0.1992 ( 7114 PWs) bands (ev): -54.0734 -54.0734 -54.0734 -54.0734 -28.4022 -28.4022 -28.4022 -28.4022 -20.7691 -20.7691 -20.7690 -20.7690 -20.6492 -20.6492 -20.6491 -20.6491 -6.2036 -6.2036 -6.2033 -6.2033 -4.2396 -4.2396 -4.2336 -4.2336 -3.6016 -3.6016 -3.6008 -3.6008 2.4346 2.4346 2.4393 2.4393 3.8692 3.8692 3.9363 3.9363 4.2384 4.2384 4.2991 4.2991 4.7185 4.7185 4.7590 4.7590 4.9917 4.9917 5.0006 5.0006 5.8756 5.8756 5.8770 5.8770 6.4718 6.4718 6.5117 6.5117 7.0593 7.0593 7.1043 7.1043 8.9847 8.9847 8.9965 8.9965 10.3425 10.3425 10.4003 10.4003 11.3298 11.3298 11.3509 11.3509 k = 0.5000 0.2782 0.1992 ( 7120 PWs) bands (ev): -54.0734 -54.0734 -54.0734 -54.0734 -28.4022 -28.4022 -28.4022 -28.4022 -20.7691 -20.7691 -20.7690 -20.7690 -20.6492 -20.6492 -20.6490 -20.6490 -6.2128 -6.2128 -6.2124 -6.2124 -4.2438 -4.2438 -4.2368 -4.2368 -3.5776 -3.5776 -3.5765 -3.5765 2.4457 2.4457 2.4510 2.4510 3.8412 3.8412 3.9121 3.9121 4.2656 4.2656 4.3279 4.3279 4.6826 4.6826 4.7283 4.7283 4.9165 4.9165 4.9257 4.9257 5.8906 5.8906 5.8925 5.8925 6.4644 6.4644 6.5070 6.5070 7.0682 7.0682 7.1229 7.1229 9.1031 9.1031 9.1161 9.1161 10.3360 10.3360 10.4067 10.4067 11.3287 11.3287 11.3485 11.3485 k = 0.5000 0.2666 0.1992 ( 7124 PWs) bands (ev): -54.0734 -54.0734 -54.0734 -54.0734 -28.4022 -28.4022 -28.4022 -28.4022 -20.7691 -20.7691 -20.7690 -20.7690 -20.6491 -20.6491 -20.6490 -20.6490 -6.2233 -6.2233 -6.2229 -6.2229 -4.2486 -4.2486 -4.2407 -4.2407 -3.5495 -3.5495 -3.5483 -3.5483 2.4587 2.4587 2.4644 2.4644 3.8128 3.8128 3.8850 3.8850 4.2924 4.2924 4.3531 4.3531 4.6342 4.6342 4.6847 4.6847 4.8497 4.8497 4.8580 4.8580 5.9046 5.9046 5.9067 5.9067 6.4556 6.4556 6.5002 6.5002 7.0804 7.0804 7.1437 7.1437 9.2357 9.2357 9.2499 9.2499 10.3308 10.3308 10.4130 10.4130 11.3275 11.3275 11.3460 11.3460 k = 0.5000 0.2550 0.1992 ( 7114 PWs) bands (ev): -54.0734 -54.0734 -54.0734 -54.0734 -28.4022 -28.4022 -28.4021 -28.4021 -20.7691 -20.7691 -20.7689 -20.7689 -20.6490 -20.6490 -20.6489 -20.6489 -6.2350 -6.2350 -6.2346 -6.2346 -4.2539 -4.2539 -4.2451 -4.2451 -3.5178 -3.5178 -3.5165 -3.5165 2.4733 2.4733 2.4792 2.4792 3.7841 3.7841 3.8558 3.8558 4.3135 4.3135 4.3676 4.3676 4.5742 4.5742 4.6252 4.6252 4.8003 4.8003 4.8084 4.8084 5.9168 5.9168 5.9184 5.9184 6.4462 6.4462 6.4922 6.4922 7.0952 7.0952 7.1660 7.1660 9.3792 9.3792 9.3946 9.3946 10.3283 10.3283 10.4205 10.4205 11.3263 11.3263 11.3432 11.3432 k = 0.5000 0.2434 0.1992 ( 7112 PWs) bands (ev): -54.0734 -54.0734 -54.0734 -54.0734 -28.4022 -28.4022 -28.4021 -28.4021 -20.7691 -20.7691 -20.7689 -20.7689 -20.6489 -20.6489 -20.6488 -20.6488 -6.2476 -6.2476 -6.2472 -6.2472 -4.2597 -4.2597 -4.2501 -4.2501 -3.4827 -3.4827 -3.4812 -3.4812 2.4893 2.4893 2.4952 2.4952 3.7549 3.7549 3.8243 3.8243 4.3182 4.3182 4.3534 4.3534 4.5223 4.5223 4.5629 4.5629 4.7692 4.7692 4.7770 4.7770 5.9263 5.9263 5.9265 5.9265 6.4367 6.4367 6.4836 6.4836 7.1124 7.1124 7.1892 7.1892 9.5301 9.5301 9.5470 9.5470 10.3303 10.3303 10.4310 10.4310 11.3250 11.3250 11.3404 11.3404 k = 0.5000 0.2319 0.1992 ( 7114 PWs) bands (ev): -54.0734 -54.0734 -54.0734 -54.0734 -28.4022 -28.4022 -28.4021 -28.4021 -20.7691 -20.7691 -20.7689 -20.7689 -20.6489 -20.6489 -20.6487 -20.6487 -6.2611 -6.2611 -6.2607 -6.2607 -4.2658 -4.2658 -4.2555 -4.2555 -3.4446 -3.4446 -3.4430 -3.4430 2.5064 2.5064 2.5121 2.5121 3.7247 3.7247 3.7900 3.7900 4.2888 4.2888 4.2918 4.2918 4.5039 4.5039 4.5246 4.5246 4.7525 4.7525 4.7578 4.7578 5.9301 5.9301 5.9326 5.9326 6.4280 6.4280 6.4751 6.4751 7.1315 7.1315 7.2128 7.2128 9.6841 9.6841 9.7032 9.7032 10.3398 10.3398 10.4469 10.4469 11.3238 11.3238 11.3373 11.3373 k = 0.5000 0.2203 0.1992 ( 7108 PWs) bands (ev): -54.0734 -54.0734 -54.0733 -54.0733 -28.4022 -28.4022 -28.4021 -28.4021 -20.7691 -20.7691 -20.7689 -20.7689 -20.6488 -20.6488 -20.6486 -20.6486 -6.2752 -6.2752 -6.2747 -6.2747 -4.2723 -4.2723 -4.2614 -4.2614 -3.4039 -3.4039 -3.4021 -3.4021 2.5243 2.5243 2.5295 2.5295 3.6922 3.6922 3.7511 3.7511 4.2023 4.2023 4.2238 4.2238 4.5054 4.5054 4.5192 4.5192 4.7472 4.7472 4.7475 4.7475 5.9282 5.9282 5.9350 5.9350 6.4205 6.4205 6.4670 6.4670 7.1521 7.1521 7.2365 7.2365 9.8352 9.8352 9.8583 9.8583 10.3610 10.3610 10.4719 10.4719 11.3228 11.3228 11.3339 11.3339 k = 0.5000 0.2087 0.1992 ( 7110 PWs) bands (ev): -54.0734 -54.0734 -54.0734 -54.0734 -28.4022 -28.4022 -28.4021 -28.4021 -20.7691 -20.7691 -20.7689 -20.7689 -20.6487 -20.6487 -20.6485 -20.6485 -6.2896 -6.2896 -6.2891 -6.2891 -4.2789 -4.2789 -4.2677 -4.2677 -3.3609 -3.3609 -3.3590 -3.3590 2.5426 2.5426 2.5472 2.5472 3.6552 3.6552 3.7054 3.7054 4.1073 4.1073 4.1446 4.1446 4.5101 4.5101 4.5303 4.5303 4.7440 4.7440 4.7521 4.7521 5.9205 5.9205 5.9332 5.9332 6.4143 6.4143 6.4596 6.4596 7.1742 7.1742 7.2601 7.2601 9.9739 9.9739 10.0047 10.0047 10.4015 10.4015 10.5122 10.5122 11.3225 11.3225 11.3304 11.3304 k = 0.5000 0.1971 0.1992 ( 7110 PWs) bands (ev): -54.0734 -54.0734 -54.0734 -54.0734 -28.4021 -28.4021 -28.4021 -28.4021 -20.7691 -20.7691 -20.7689 -20.7689 -20.6486 -20.6486 -20.6483 -20.6483 -6.3043 -6.3043 -6.3038 -6.3038 -4.2857 -4.2857 -4.2742 -4.2742 -3.3160 -3.3160 -3.3141 -3.3141 2.5609 2.5609 2.5649 2.5649 3.6105 3.6105 3.6497 3.6497 4.0182 4.0182 4.0679 4.0679 4.5133 4.5133 4.5458 4.5458 4.7481 4.7481 4.7645 4.7645 5.9067 5.9067 5.9270 5.9270 6.4096 6.4096 6.4528 6.4528 7.1976 7.1976 7.2835 7.2835 10.0877 10.0877 10.1318 10.1318 10.4719 10.4719 10.5766 10.5766 11.3233 11.3233 11.3266 11.3266 k = 0.5000 0.1855 0.1992 ( 7112 PWs) bands (ev): -54.0734 -54.0734 -54.0734 -54.0734 -28.4021 -28.4021 -28.4021 -28.4021 -20.7691 -20.7691 -20.7689 -20.7689 -20.6485 -20.6485 -20.6482 -20.6482 -6.3190 -6.3190 -6.3186 -6.3186 -4.2926 -4.2926 -4.2809 -4.2809 -3.2697 -3.2697 -3.2677 -3.2677 2.5789 2.5789 2.5821 2.5821 3.5544 3.5544 3.5821 3.5821 3.9421 3.9421 4.0023 4.0023 4.5149 4.5149 4.5609 4.5609 4.7591 4.7591 4.7823 4.7823 5.8871 5.8871 5.9163 5.9163 6.4060 6.4060 6.4465 6.4465 7.2222 7.2222 7.3068 7.3068 10.1698 10.1698 10.2303 10.2303 10.5755 10.5755 10.6722 10.6722 11.3228 11.3228 11.3264 11.3264 k = 0.5000 0.1739 0.1992 ( 7114 PWs) bands (ev): -54.0734 -54.0734 -54.0734 -54.0734 -28.4021 -28.4021 -28.4021 -28.4021 -20.7691 -20.7691 -20.7689 -20.7689 -20.6484 -20.6484 -20.6481 -20.6481 -6.3337 -6.3337 -6.3332 -6.3332 -4.2995 -4.2995 -4.2877 -4.2877 -3.2225 -3.2225 -3.2204 -3.2204 2.5962 2.5962 2.5986 2.5986 3.4851 3.4851 3.5030 3.5030 3.8832 3.8832 3.9503 3.9503 4.5162 4.5162 4.5745 4.5745 4.7761 4.7761 4.8033 4.8033 5.8618 5.8618 5.9012 5.9012 6.4032 6.4032 6.4405 6.4405 7.2479 7.2479 7.3300 7.3300 10.2280 10.2280 10.3015 10.3015 10.6996 10.6996 10.7945 10.7945 11.3194 11.3194 11.3337 11.3337 k = 0.5000 0.1623 0.1992 ( 7108 PWs) bands (ev): -54.0733 -54.0733 -54.0733 -54.0733 -28.4021 -28.4021 -28.4020 -28.4020 -20.7691 -20.7691 -20.7689 -20.7689 -20.6482 -20.6482 -20.6480 -20.6480 -6.3480 -6.3480 -6.3476 -6.3476 -4.3062 -4.3062 -4.2946 -4.2946 -3.1747 -3.1747 -3.1727 -3.1727 2.6123 2.6123 2.6140 2.6140 3.4043 3.4043 3.4154 3.4154 3.8410 3.8410 3.9109 3.9109 4.5183 4.5183 4.5874 4.5874 4.7973 4.7973 4.8258 4.8258 5.8314 5.8314 5.8817 5.8817 6.4009 6.4009 6.4346 6.4346 7.2747 7.2747 7.3531 7.3531 10.2746 10.2746 10.3549 10.3549 10.8245 10.8245 10.9281 10.9281 11.3179 11.3179 11.3483 11.3483 k = 0.5000 0.1507 0.1992 ( 7104 PWs) bands (ev): -54.0733 -54.0733 -54.0733 -54.0733 -28.4021 -28.4021 -28.4020 -28.4020 -20.7691 -20.7691 -20.7689 -20.7689 -20.6481 -20.6481 -20.6479 -20.6479 -6.3619 -6.3619 -6.3615 -6.3615 -4.3129 -4.3129 -4.3015 -4.3015 -3.1270 -3.1270 -3.1249 -3.1249 2.6266 2.6266 2.6278 2.6278 3.3167 3.3167 3.3234 3.3234 3.8120 3.8120 3.8813 3.8813 4.5226 4.5226 4.6005 4.6005 4.8211 4.8211 4.8486 4.8486 5.7963 5.7963 5.8580 5.8580 6.3987 6.3987 6.4287 6.4287 7.3023 7.3023 7.3762 7.3762 10.3171 10.3171 10.3996 10.3996 10.9322 10.9322 11.0535 11.0535 11.3216 11.3216 11.3729 11.3729 k = 0.5000 0.1391 0.1992 ( 7100 PWs) bands (ev): -54.0733 -54.0733 -54.0733 -54.0733 -28.4020 -28.4020 -28.4020 -28.4020 -20.7690 -20.7690 -20.7688 -20.7688 -20.6480 -20.6480 -20.6478 -20.6478 -6.3753 -6.3753 -6.3749 -6.3749 -4.3193 -4.3193 -4.3082 -4.3082 -3.0797 -3.0797 -3.0777 -3.0777 2.6388 2.6388 2.6396 2.6396 3.2271 3.2271 3.2310 3.2310 3.7925 3.7925 3.8588 3.8588 4.5298 4.5298 4.6151 4.6151 4.8462 4.8462 4.8707 4.8707 5.7569 5.7569 5.8303 5.8303 6.3966 6.3966 6.4229 6.4229 7.3305 7.3305 7.3993 7.3993 10.3591 10.3591 10.4405 10.4405 11.0101 11.0101 11.1473 11.1473 11.3373 11.3373 11.4053 11.4053 k = 0.5000 0.1275 0.1992 ( 7100 PWs) bands (ev): -54.0733 -54.0733 -54.0733 -54.0733 -28.4020 -28.4020 -28.4020 -28.4020 -20.7690 -20.7690 -20.7689 -20.7689 -20.6479 -20.6479 -20.6477 -20.6477 -6.3881 -6.3881 -6.3877 -6.3877 -4.3254 -4.3254 -4.3148 -4.3148 -3.0334 -3.0334 -3.0314 -3.0314 2.6480 2.6480 2.6488 2.6488 3.1395 3.1395 3.1414 3.1414 3.7796 3.7796 3.8414 3.8414 4.5404 4.5404 4.6319 4.6319 4.8716 4.8716 4.8915 4.8915 5.7139 5.7139 5.7986 5.7986 6.3946 6.3946 6.4171 6.4171 7.3590 7.3590 7.4222 7.4222 10.4019 10.4019 10.4799 10.4799 11.0570 11.0570 11.1933 11.1933 11.3655 11.3655 11.4347 11.4347 k = 0.5000 0.1159 0.1992 ( 7100 PWs) bands (ev): -54.0733 -54.0733 -54.0733 -54.0733 -28.4020 -28.4020 -28.4020 -28.4020 -20.7690 -20.7690 -20.7688 -20.7688 -20.6478 -20.6478 -20.6476 -20.6476 -6.4000 -6.4000 -6.3997 -6.3997 -4.3311 -4.3311 -4.3211 -4.3211 -2.9887 -2.9887 -2.9868 -2.9868 2.6534 2.6534 2.6545 2.6545 3.0573 3.0573 3.0574 3.0574 3.7713 3.7713 3.8278 3.8278 4.5551 4.5551 4.6511 4.6511 4.8964 4.8964 4.9105 4.9105 5.6679 5.6679 5.7632 5.7632 6.3926 6.3926 6.4116 6.4116 7.3874 7.3874 7.4447 7.4447 10.4457 10.4457 10.5184 10.5184 11.0814 11.0814 11.2063 11.2063 11.3897 11.3897 11.4530 11.4530 k = 0.5000 0.1043 0.1992 ( 7104 PWs) bands (ev): -54.0733 -54.0733 -54.0733 -54.0733 -28.4020 -28.4020 -28.4020 -28.4020 -20.7690 -20.7690 -20.7689 -20.7689 -20.6477 -20.6477 -20.6475 -20.6475 -6.4111 -6.4111 -6.4108 -6.4108 -4.3365 -4.3365 -4.3271 -4.3271 -2.9460 -2.9460 -2.9442 -2.9442 2.6534 2.6534 2.6554 2.6554 2.9818 2.9818 2.9834 2.9834 3.7663 3.7663 3.8168 3.8168 4.5739 4.5739 4.6730 4.6730 4.9203 4.9203 4.9276 4.9276 5.6193 5.6193 5.7244 5.7244 6.3908 6.3908 6.4065 6.4065 7.4152 7.4152 7.4665 7.4665 10.4898 10.4898 10.5559 10.5559 11.0932 11.0932 11.2064 11.2064 11.4036 11.4036 11.4619 11.4619 k = 0.5000 0.0927 0.1992 ( 7096 PWs) bands (ev): -54.0733 -54.0733 -54.0733 -54.0733 -28.4020 -28.4020 -28.4019 -28.4019 -20.7690 -20.7690 -20.7688 -20.7688 -20.6476 -20.6476 -20.6474 -20.6474 -6.4213 -6.4213 -6.4210 -6.4210 -4.3413 -4.3413 -4.3328 -4.3328 -2.9060 -2.9060 -2.9042 -2.9042 2.6462 2.6462 2.6493 2.6493 2.9179 2.9179 2.9214 2.9214 3.7634 3.7634 3.8079 3.8079 4.5970 4.5970 4.6973 4.6973 4.9425 4.9425 4.9429 4.9429 5.5692 5.5692 5.6826 5.6826 6.3893 6.3893 6.4020 6.4020 7.4419 7.4419 7.4872 7.4872 10.5335 10.5335 10.5919 10.5919 11.0989 11.0989 11.2023 11.2023 11.4112 11.4112 11.4656 11.4656 k = 0.5000 0.0811 0.1992 ( 7090 PWs) bands (ev): -54.0733 -54.0733 -54.0733 -54.0733 -28.4019 -28.4019 -28.4019 -28.4019 -20.7690 -20.7690 -20.7688 -20.7688 -20.6475 -20.6475 -20.6473 -20.6473 -6.4304 -6.4304 -6.4301 -6.4301 -4.3456 -4.3456 -4.3380 -4.3380 -2.8690 -2.8690 -2.8674 -2.8674 2.6298 2.6298 2.6341 2.6341 2.8689 2.8689 2.8740 2.8740 3.7622 3.7622 3.8005 3.8005 4.6243 4.6243 4.7236 4.7236 4.9551 4.9551 4.9639 4.9639 5.5186 5.5186 5.6384 5.6384 6.3880 6.3880 6.3981 6.3981 7.4672 7.4672 7.5065 7.5065 10.5755 10.5755 10.6255 10.6255 11.1027 11.1027 11.1977 11.1977 11.4163 11.4163 11.4670 11.4670 k = 0.5000 0.0696 0.1992 ( 7092 PWs) bands (ev): -54.0733 -54.0733 -54.0733 -54.0733 -28.4019 -28.4019 -28.4019 -28.4019 -20.7690 -20.7690 -20.7688 -20.7688 -20.6474 -20.6474 -20.6473 -20.6473 -6.4384 -6.4384 -6.4382 -6.4382 -4.3494 -4.3494 -4.3426 -4.3426 -2.8357 -2.8357 -2.8343 -2.8343 2.6046 2.6046 2.6094 2.6094 2.8360 2.8360 2.8419 2.8419 3.7621 3.7621 3.7944 3.7944 4.6552 4.6552 4.7509 4.7509 4.9655 4.9655 4.9830 4.9830 5.4688 5.4688 5.5924 5.5924 6.3871 6.3871 6.3950 6.3950 7.4906 7.4906 7.5239 7.5239 10.6144 10.6144 10.6555 10.6555 11.1071 11.1071 11.1940 11.1940 11.4210 11.4210 11.4677 11.4677 k = 0.5000 0.0580 0.1992 ( 7100 PWs) bands (ev): -54.0733 -54.0733 -54.0733 -54.0733 -28.4020 -28.4020 -28.4019 -28.4019 -20.7690 -20.7690 -20.7689 -20.7689 -20.6473 -20.6473 -20.6472 -20.6472 -6.4453 -6.4453 -6.4451 -6.4451 -4.3525 -4.3525 -4.3468 -4.3468 -2.8066 -2.8066 -2.8054 -2.8054 2.5741 2.5741 2.5787 2.5787 2.8167 2.8167 2.8224 2.8224 3.7627 3.7627 3.7891 3.7891 4.6892 4.6892 4.7781 4.7781 4.9738 4.9738 4.9995 4.9995 5.4220 5.4220 5.5454 5.5454 6.3865 6.3865 6.3925 6.3925 7.5115 7.5115 7.5391 7.5391 10.6488 10.6488 10.6812 10.6812 11.1138 11.1138 11.1917 11.1917 11.4263 11.4263 11.4682 11.4682 k = 0.5000 0.0464 0.1992 ( 7106 PWs) bands (ev): -54.0733 -54.0733 -54.0733 -54.0733 -28.4020 -28.4020 -28.4019 -28.4019 -20.7690 -20.7690 -20.7689 -20.7689 -20.6473 -20.6473 -20.6472 -20.6472 -6.4510 -6.4510 -6.4508 -6.4508 -4.3550 -4.3550 -4.3504 -4.3504 -2.7820 -2.7820 -2.7810 -2.7810 2.5433 2.5433 2.5472 2.5472 2.8064 2.8064 2.8113 2.8113 3.7639 3.7639 3.7847 3.7847 4.7252 4.7252 4.8036 4.8036 4.9802 4.9802 5.0123 5.0123 5.3809 5.3809 5.4987 5.4987 6.3862 6.3862 6.3906 6.3906 7.5297 7.5297 7.5516 7.5516 10.6776 10.6776 10.7019 10.7019 11.1232 11.1232 11.1904 11.1904 11.4328 11.4328 11.4689 11.4689 k = 0.5000 0.0348 0.1992 ( 7096 PWs) bands (ev): -54.0733 -54.0733 -54.0733 -54.0733 -28.4019 -28.4019 -28.4019 -28.4019 -20.7689 -20.7689 -20.7689 -20.7689 -20.6472 -20.6472 -20.6472 -20.6472 -6.4555 -6.4555 -6.4553 -6.4553 -4.3568 -4.3568 -4.3533 -4.3533 -2.7624 -2.7624 -2.7617 -2.7617 2.5163 2.5163 2.5193 2.5193 2.8011 2.8011 2.8049 2.8049 3.7654 3.7654 3.7808 3.7808 4.7616 4.7616 4.8254 4.8254 4.9853 4.9853 5.0197 5.0197 5.3496 5.3496 5.4534 5.4534 6.3861 6.3861 6.3892 6.3892 7.5448 7.5448 7.5611 7.5611 10.7003 10.7003 10.7173 10.7173 11.1352 11.1352 11.1890 11.1890 11.4405 11.4405 11.4693 11.4693 k = 0.5000 0.0232 0.1992 ( 7092 PWs) bands (ev): -54.0733 -54.0733 -54.0733 -54.0733 -28.4019 -28.4019 -28.4019 -28.4019 -20.7689 -20.7689 -20.7689 -20.7689 -20.6472 -20.6472 -20.6471 -20.6471 -6.4587 -6.4587 -6.4586 -6.4586 -4.3580 -4.3580 -4.3556 -4.3556 -2.7482 -2.7482 -2.7477 -2.7477 2.4958 2.4958 2.4978 2.4978 2.7987 2.7987 2.8013 2.8013 3.7672 3.7672 3.7774 3.7774 4.7957 4.7957 4.8411 4.8411 4.9900 4.9900 5.0200 5.0200 5.3324 5.3324 5.4114 5.4114 6.3862 6.3862 6.3882 6.3882 7.5566 7.5566 7.5674 7.5674 10.7167 10.7167 10.7274 10.7274 11.1485 11.1485 11.1863 11.1863 11.4489 11.4489 11.4691 11.4691 k = 0.5000 0.0116 0.1992 ( 7096 PWs) bands (ev): -54.0733 -54.0733 -54.0733 -54.0733 -28.4019 -28.4019 -28.4019 -28.4019 -20.7689 -20.7689 -20.7689 -20.7689 -20.6472 -20.6472 -20.6471 -20.6471 -6.4606 -6.4606 -6.4605 -6.4605 -4.3585 -4.3585 -4.3573 -4.3573 -2.7395 -2.7395 -2.7392 -2.7392 2.4831 2.4831 2.4841 2.4841 2.7979 2.7979 2.7992 2.7992 3.7693 3.7693 3.7744 3.7744 4.8240 4.8240 4.8476 4.8476 4.9958 4.9958 5.0135 5.0135 5.3318 5.3318 5.3750 5.3750 6.3865 6.3865 6.3874 6.3874 7.5648 7.5648 7.5702 7.5702 10.7272 10.7272 10.7323 10.7323 11.1615 11.1615 11.1811 11.1811 11.4568 11.4568 11.4672 11.4672 k = 0.5000-0.0000 0.1992 ( 7104 PWs) bands (ev): -54.0733 -54.0733 -54.0733 -54.0733 -28.4019 -28.4019 -28.4019 -28.4019 -20.7689 -20.7689 -20.7689 -20.7689 -20.6472 -20.6472 -20.6472 -20.6472 -6.4612 -6.4612 -6.4612 -6.4612 -4.3582 -4.3582 -4.3582 -4.3582 -2.7365 -2.7365 -2.7365 -2.7365 2.4792 2.4792 2.4792 2.4792 2.7981 2.7981 2.7981 2.7981 3.7717 3.7717 3.7717 3.7717 4.8422 4.8422 4.8422 4.8422 5.0040 5.0040 5.0040 5.0040 5.3472 5.3472 5.3472 5.3472 6.3869 6.3869 6.3869 6.3869 7.5693 7.5693 7.5693 7.5693 10.7323 10.7323 10.7323 10.7323 11.1727 11.1727 11.1727 11.1727 11.4632 11.4632 11.4632 11.4632 k = 0.5000-0.0000 0.1992 ( 7104 PWs) bands (ev): -54.0733 -54.0733 -54.0733 -54.0733 -28.4019 -28.4019 -28.4019 -28.4019 -20.7689 -20.7689 -20.7689 -20.7689 -20.6472 -20.6472 -20.6472 -20.6472 -6.4612 -6.4612 -6.4612 -6.4612 -4.3582 -4.3582 -4.3582 -4.3582 -2.7365 -2.7365 -2.7365 -2.7365 2.4792 2.4792 2.4792 2.4792 2.7981 2.7981 2.7981 2.7981 3.7717 3.7717 3.7717 3.7717 4.8422 4.8422 4.8422 4.8422 5.0040 5.0040 5.0040 5.0040 5.3472 5.3472 5.3472 5.3472 6.3869 6.3869 6.3869 6.3869 7.5693 7.5693 7.5693 7.5693 10.7323 10.7323 10.7323 10.7323 11.1727 11.1727 11.1727 11.1727 11.4632 11.4632 11.4632 11.4632 k = 0.5000-0.0000 0.1875 ( 7100 PWs) bands (ev): -54.0733 -54.0733 -54.0733 -54.0733 -28.4019 -28.4019 -28.4019 -28.4019 -20.7689 -20.7689 -20.7689 -20.7689 -20.6472 -20.6472 -20.6472 -20.6472 -6.4612 -6.4612 -6.4612 -6.4612 -4.3582 -4.3582 -4.3582 -4.3582 -2.7365 -2.7365 -2.7365 -2.7365 2.4787 2.4787 2.4802 2.4802 2.7964 2.7964 2.7994 2.7994 3.7705 3.7705 3.7720 3.7720 4.8370 4.8370 4.8450 4.8450 4.9957 4.9957 5.0131 5.0131 5.3472 5.3472 5.3520 5.3520 6.3782 6.3782 6.3914 6.3914 7.5656 7.5656 7.5761 7.5761 10.7272 10.7272 10.7335 10.7335 11.1697 11.1697 11.1766 11.1766 11.4620 11.4620 11.4642 11.4642 k = 0.5000-0.0000 0.1758 ( 7096 PWs) bands (ev): -54.0733 -54.0733 -54.0733 -54.0733 -28.4019 -28.4019 -28.4019 -28.4019 -20.7689 -20.7689 -20.7689 -20.7689 -20.6471 -20.6471 -20.6471 -20.6471 -6.4612 -6.4612 -6.4612 -6.4612 -4.3582 -4.3582 -4.3582 -4.3582 -2.7365 -2.7365 -2.7365 -2.7365 2.4788 2.4788 2.4818 2.4818 2.7944 2.7944 2.8003 2.8003 3.7686 3.7686 3.7715 3.7715 4.8300 4.8300 4.8450 4.8450 4.9890 4.9890 5.0221 5.0221 5.3522 5.3522 5.3612 5.3612 6.3656 6.3656 6.3915 6.3915 7.5651 7.5651 7.5856 7.5856 10.7184 10.7184 10.7306 10.7306 11.1677 11.1677 11.1808 11.1808 11.4608 11.4608 11.4649 11.4649 k = 0.5000-0.0000 0.1640 ( 7092 PWs) bands (ev): -54.0733 -54.0733 -54.0733 -54.0733 -28.4019 -28.4019 -28.4019 -28.4019 -20.7689 -20.7689 -20.7689 -20.7689 -20.6471 -20.6471 -20.6471 -20.6471 -6.4612 -6.4612 -6.4612 -6.4612 -4.3582 -4.3582 -4.3582 -4.3582 -2.7365 -2.7365 -2.7364 -2.7364 2.4795 2.4795 2.4839 2.4839 2.7922 2.7922 2.8008 2.8008 3.7658 3.7658 3.7701 3.7701 4.8218 4.8218 4.8422 4.8422 4.9845 4.9845 5.0304 5.0304 5.3620 5.3620 5.3741 5.3741 6.3497 6.3497 6.3872 6.3872 7.5679 7.5679 7.5974 7.5974 10.7066 10.7066 10.7237 10.7237 11.1668 11.1668 11.1849 11.1849 11.4597 11.4597 11.4653 11.4653 k = 0.5000-0.0000 0.1523 ( 7098 PWs) bands (ev): -54.0733 -54.0733 -54.0733 -54.0733 -28.4019 -28.4019 -28.4019 -28.4019 -20.7689 -20.7689 -20.7689 -20.7689 -20.6472 -20.6472 -20.6471 -20.6471 -6.4612 -6.4612 -6.4612 -6.4612 -4.3582 -4.3582 -4.3582 -4.3582 -2.7365 -2.7365 -2.7364 -2.7364 2.4807 2.4807 2.4864 2.4864 2.7897 2.7897 2.8009 2.8009 3.7624 3.7624 3.7679 3.7679 4.8131 4.8131 4.8369 4.8369 4.9823 4.9823 5.0377 5.0377 5.3761 5.3761 5.3901 5.3901 6.3310 6.3310 6.3788 6.3788 7.5737 7.5737 7.6110 7.6110 10.6924 10.6924 10.7133 10.7133 11.1668 11.1668 11.1882 11.1882 11.4586 11.4586 11.4654 11.4654 k = 0.5000-0.0000 0.1406 ( 7098 PWs) bands (ev): -54.0733 -54.0733 -54.0733 -54.0733 -28.4019 -28.4019 -28.4019 -28.4019 -20.7689 -20.7689 -20.7689 -20.7689 -20.6472 -20.6472 -20.6471 -20.6471 -6.4612 -6.4612 -6.4612 -6.4612 -4.3582 -4.3582 -4.3582 -4.3582 -2.7365 -2.7365 -2.7364 -2.7364 2.4824 2.4824 2.4893 2.4893 2.7872 2.7872 2.8005 2.8005 3.7583 3.7583 3.7649 3.7649 4.8042 4.8042 4.8298 4.8298 4.9823 4.9823 5.0440 5.0440 5.3937 5.3937 5.4084 5.4084 6.3102 6.3102 6.3667 6.3667 7.5823 7.5823 7.6257 7.6257 10.6764 10.6764 10.6998 10.6998 11.1674 11.1674 11.1904 11.1904 11.4576 11.4576 11.4651 11.4651 k = 0.5000-0.0000 0.1289 ( 7096 PWs) bands (ev): -54.0733 -54.0733 -54.0733 -54.0733 -28.4019 -28.4019 -28.4019 -28.4019 -20.7689 -20.7689 -20.7689 -20.7689 -20.6471 -20.6471 -20.6471 -20.6471 -6.4612 -6.4612 -6.4612 -6.4612 -4.3583 -4.3583 -4.3582 -4.3582 -2.7364 -2.7364 -2.7364 -2.7364 2.4846 2.4846 2.4925 2.4925 2.7846 2.7846 2.7998 2.7998 3.7537 3.7537 3.7611 3.7611 4.7958 4.7958 4.8218 4.8218 4.9841 4.9841 5.0492 5.0492 5.4140 5.4140 5.4282 5.4282 6.2882 6.2882 6.3513 6.3513 7.5933 7.5933 7.6410 7.6410 10.6593 10.6593 10.6840 10.6840 11.1683 11.1683 11.1912 11.1912 11.4568 11.4568 11.4644 11.4644 k = 0.5000-0.0000 0.1172 ( 7092 PWs) bands (ev): -54.0733 -54.0733 -54.0733 -54.0733 -28.4019 -28.4019 -28.4019 -28.4019 -20.7689 -20.7689 -20.7689 -20.7689 -20.6471 -20.6471 -20.6471 -20.6471 -6.4612 -6.4612 -6.4612 -6.4612 -4.3583 -4.3583 -4.3583 -4.3583 -2.7364 -2.7364 -2.7364 -2.7364 2.4871 2.4871 2.4959 2.4959 2.7821 2.7821 2.7986 2.7986 3.7487 3.7487 3.7567 3.7567 4.7880 4.7880 4.8135 4.8135 4.9874 4.9874 5.0535 5.0535 5.4359 5.4359 5.4488 5.4488 6.2655 6.2655 6.3333 6.3333 7.6061 7.6061 7.6564 7.6564 10.6418 10.6418 10.6667 10.6667 11.1690 11.1690 11.1904 11.1904 11.4561 11.4561 11.4633 11.4633 k = 0.5000-0.0000 0.1055 ( 7092 PWs) bands (ev): -54.0733 -54.0733 -54.0733 -54.0733 -28.4019 -28.4019 -28.4019 -28.4019 -20.7689 -20.7689 -20.7689 -20.7689 -20.6471 -20.6471 -20.6471 -20.6471 -6.4612 -6.4612 -6.4612 -6.4612 -4.3583 -4.3583 -4.3583 -4.3583 -2.7364 -2.7364 -2.7364 -2.7364 2.4900 2.4900 2.4993 2.4993 2.7798 2.7798 2.7972 2.7972 3.7434 3.7434 3.7518 3.7518 4.7811 4.7811 4.8056 4.8056 4.9918 4.9918 5.0569 5.0569 5.4585 5.4585 5.4696 5.4696 6.2431 6.2431 6.3133 6.3133 7.6202 7.6202 7.6712 7.6712 10.6243 10.6243 10.6485 10.6485 11.1692 11.1692 11.1880 11.1880 11.4555 11.4555 11.4618 11.4618 k = 0.5000-0.0000 0.0937 ( 7094 PWs) bands (ev): -54.0733 -54.0733 -54.0733 -54.0733 -28.4019 -28.4019 -28.4019 -28.4019 -20.7689 -20.7689 -20.7689 -20.7689 -20.6471 -20.6471 -20.6471 -20.6471 -6.4612 -6.4612 -6.4612 -6.4612 -4.3583 -4.3583 -4.3583 -4.3583 -2.7364 -2.7364 -2.7364 -2.7364 2.4931 2.4931 2.5027 2.5027 2.7777 2.7777 2.7954 2.7954 3.7380 3.7380 3.7465 3.7465 4.7753 4.7753 4.7982 4.7982 4.9970 4.9970 5.0595 5.0595 5.4810 5.4810 5.4899 5.4899 6.2217 6.2217 6.2921 6.2921 7.6350 7.6350 7.6852 7.6852 10.6074 10.6074 10.6302 10.6302 11.1687 11.1687 11.1844 11.1844 11.4550 11.4550 11.4602 11.4602 k = 0.5000-0.0000 0.0820 ( 7088 PWs) bands (ev): -54.0733 -54.0733 -54.0733 -54.0733 -28.4019 -28.4019 -28.4019 -28.4019 -20.7689 -20.7689 -20.7689 -20.7689 -20.6471 -20.6471 -20.6471 -20.6471 -6.4612 -6.4612 -6.4612 -6.4612 -4.3583 -4.3583 -4.3583 -4.3583 -2.7364 -2.7364 -2.7364 -2.7364 2.4963 2.4963 2.5058 2.5058 2.7759 2.7759 2.7933 2.7933 3.7328 3.7328 3.7410 3.7410 4.7707 4.7707 4.7916 4.7916 5.0029 5.0029 5.0614 5.0614 5.5026 5.5026 5.5092 5.5092 6.2019 6.2019 6.2704 6.2704 7.6501 7.6501 7.6977 7.6977 10.5916 10.5916 10.6125 10.6125 11.1674 11.1674 11.1797 11.1797 11.4545 11.4545 11.4584 11.4584 k = 0.5000-0.0000 0.0703 ( 7094 PWs) bands (ev): -54.0733 -54.0733 -54.0733 -54.0733 -28.4019 -28.4019 -28.4019 -28.4019 -20.7689 -20.7689 -20.7689 -20.7689 -20.6471 -20.6471 -20.6471 -20.6471 -6.4612 -6.4612 -6.4612 -6.4612 -4.3583 -4.3583 -4.3583 -4.3583 -2.7364 -2.7364 -2.7364 -2.7364 2.4996 2.4996 2.5087 2.5087 2.7746 2.7746 2.7911 2.7911 3.7278 3.7278 3.7356 3.7356 4.7672 4.7672 4.7858 4.7858 5.0093 5.0093 5.0624 5.0624 5.5225 5.5225 5.5269 5.5269 6.1845 6.1845 6.2487 6.2487 7.6649 7.6649 7.7085 7.7085 10.5773 10.5773 10.5957 10.5957 11.1654 11.1654 11.1745 11.1745 11.4539 11.4539 11.4567 11.4567 k = 0.5000-0.0000 0.0586 ( 7082 PWs) bands (ev): -54.0733 -54.0733 -54.0733 -54.0733 -28.4019 -28.4019 -28.4019 -28.4019 -20.7689 -20.7689 -20.7689 -20.7689 -20.6471 -20.6471 -20.6471 -20.6471 -6.4612 -6.4612 -6.4612 -6.4612 -4.3583 -4.3583 -4.3583 -4.3583 -2.7364 -2.7364 -2.7364 -2.7364 2.5028 2.5028 2.5111 2.5111 2.7738 2.7738 2.7887 2.7887 3.7234 3.7234 3.7303 3.7303 4.7647 4.7647 4.7808 4.7808 5.0161 5.0161 5.0626 5.0626 5.5402 5.5402 5.5428 5.5428 6.1701 6.1701 6.2278 6.2278 7.6790 7.6790 7.7173 7.7173 10.5648 10.5648 10.5805 10.5805 11.1629 11.1629 11.1692 11.1692 11.4534 11.4534 11.4550 11.4550 k = 0.5000-0.0000 0.0469 ( 7074 PWs) bands (ev): -54.0733 -54.0733 -54.0733 -54.0733 -28.4018 -28.4018 -28.4018 -28.4018 -20.7689 -20.7689 -20.7688 -20.7688 -20.6471 -20.6471 -20.6471 -20.6471 -6.4612 -6.4612 -6.4612 -6.4612 -4.3583 -4.3583 -4.3583 -4.3583 -2.7364 -2.7364 -2.7364 -2.7364 2.5058 2.5058 2.5130 2.5130 2.7735 2.7735 2.7863 2.7863 3.7196 3.7196 3.7255 3.7255 4.7633 4.7633 4.7765 4.7765 5.0231 5.0231 5.0618 5.0618 5.5552 5.5552 5.5563 5.5563 6.1591 6.1591 6.2083 6.2083 7.6919 7.6919 7.7239 7.7239 10.5545 10.5545 10.5672 10.5672 11.1602 11.1602 11.1642 11.1642 11.4528 11.4528 11.4536 11.4536 k = 0.5000-0.0000 0.0352 ( 7082 PWs) bands (ev): -54.0733 -54.0733 -54.0733 -54.0733 -28.4019 -28.4019 -28.4019 -28.4019 -20.7689 -20.7689 -20.7689 -20.7689 -20.6471 -20.6471 -20.6471 -20.6471 -6.4612 -6.4612 -6.4612 -6.4612 -4.3583 -4.3583 -4.3583 -4.3583 -2.7364 -2.7364 -2.7364 -2.7364 2.5086 2.5086 2.5142 2.5142 2.7737 2.7737 2.7838 2.7838 3.7167 3.7167 3.7213 3.7213 4.7628 4.7628 4.7729 4.7729 5.0300 5.0300 5.0600 5.0600 5.5670 5.5670 5.5673 5.5673 6.1519 6.1519 6.1908 6.1908 7.7034 7.7034 7.7282 7.7282 10.5465 10.5465 10.5562 10.5562 11.1576 11.1576 11.1599 11.1599 11.4522 11.4522 11.4525 11.4525 k = 0.5000-0.0000 0.0234 ( 7092 PWs) bands (ev): -54.0733 -54.0733 -54.0733 -54.0733 -28.4019 -28.4019 -28.4019 -28.4019 -20.7689 -20.7689 -20.7689 -20.7689 -20.6471 -20.6471 -20.6471 -20.6471 -6.4612 -6.4612 -6.4612 -6.4612 -4.3584 -4.3584 -4.3584 -4.3584 -2.7364 -2.7364 -2.7364 -2.7364 2.5109 2.5109 2.5149 2.5149 2.7744 2.7744 2.7814 2.7814 3.7147 3.7147 3.7179 3.7179 4.7630 4.7630 4.7699 4.7699 5.0367 5.0367 5.0572 5.0572 5.5754 5.5754 5.5756 5.5756 6.1488 6.1488 6.1757 6.1757 7.7131 7.7131 7.7300 7.7300 10.5412 10.5412 10.5477 10.5477 11.1554 11.1554 11.1566 11.1566 11.4517 11.4517 11.4518 11.4518 k = 0.5000-0.0000 0.0117 ( 7086 PWs) bands (ev): -54.0733 -54.0733 -54.0733 -54.0733 -28.4019 -28.4019 -28.4019 -28.4019 -20.7689 -20.7689 -20.7689 -20.7689 -20.6471 -20.6471 -20.6471 -20.6471 -6.4612 -6.4612 -6.4612 -6.4612 -4.3584 -4.3584 -4.3584 -4.3584 -2.7364 -2.7364 -2.7364 -2.7364 2.5128 2.5128 2.5148 2.5148 2.7756 2.7756 2.7792 2.7792 3.7139 3.7139 3.7155 3.7155 4.7639 4.7639 4.7674 4.7674 5.0430 5.0430 5.0533 5.0533 5.5804 5.5804 5.5806 5.5806 6.1498 6.1498 6.1636 6.1636 7.7207 7.7207 7.7293 7.7293 10.5386 10.5386 10.5418 10.5418 11.1540 11.1540 11.1545 11.1545 11.4514 11.4514 11.4514 11.4514 k = 0.5000-0.0000-0.0000 ( 7084 PWs) bands (ev): -54.0733 -54.0733 -54.0733 -54.0733 -28.4019 -28.4019 -28.4019 -28.4019 -20.7689 -20.7689 -20.7689 -20.7689 -20.6471 -20.6471 -20.6471 -20.6471 -6.4612 -6.4612 -6.4612 -6.4612 -4.3584 -4.3584 -4.3584 -4.3584 -2.7364 -2.7364 -2.7364 -2.7364 2.5141 2.5141 2.5141 2.5141 2.7772 2.7772 2.7772 2.7772 3.7141 3.7141 3.7141 3.7141 4.7653 4.7653 4.7653 4.7653 5.0486 5.0486 5.0486 5.0486 5.5822 5.5822 5.5822 5.5822 6.1548 6.1548 6.1548 6.1548 7.7262 7.7262 7.7262 7.7262 10.5388 10.5388 10.5388 10.5388 11.1536 11.1536 11.1536 11.1536 11.4512 11.4512 11.4512 11.4512 k = 0.0000 0.0000 0.1992 ( 7100 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3919 -28.3919 -28.3846 -28.3846 -20.7189 -20.7189 -20.6921 -20.6921 -20.6489 -20.6489 -20.6323 -20.6323 -6.9331 -6.9331 -6.8848 -6.8848 -5.1346 -5.1346 -4.0568 -4.0568 -3.0015 -3.0015 -2.9010 -2.9010 2.0569 2.0569 2.1936 2.1936 2.4609 2.4609 3.2968 3.2968 4.4196 4.4196 4.7870 4.7870 4.9117 4.9117 5.3222 5.3222 5.9995 5.9995 6.0282 6.0282 6.6065 6.6065 7.2143 7.2143 7.7012 7.7012 7.7981 7.7981 8.3434 8.3434 8.3562 8.3562 8.5738 8.5738 9.4754 9.4754 10.8564 10.8564 10.9864 10.9864 11.2331 11.2331 11.4871 11.4871 k = 0.0116-0.0000 0.1992 ( 7102 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3919 -28.3919 -28.3846 -28.3846 -20.7189 -20.7189 -20.6922 -20.6922 -20.6489 -20.6489 -20.6324 -20.6324 -6.9326 -6.9326 -6.8840 -6.8840 -5.1343 -5.1343 -4.0565 -4.0565 -3.0013 -3.0013 -2.9007 -2.9007 2.0576 2.0576 2.1947 2.1947 2.4611 2.4611 3.2976 3.2976 4.4198 4.4198 4.7851 4.7851 4.9074 4.9074 5.3209 5.3209 5.9762 5.9762 6.0463 6.0463 6.6088 6.6088 7.2088 7.2088 7.6875 7.6875 7.8075 7.8075 8.3146 8.3146 8.3780 8.3780 8.5785 8.5785 9.4829 9.4829 10.8544 10.8544 10.9880 10.9880 11.2319 11.2319 11.4838 11.4838 k = 0.0233-0.0000 0.1992 ( 7100 PWs) bands (ev): -54.0762 -54.0762 -54.0753 -54.0753 -28.3919 -28.3919 -28.3846 -28.3846 -20.7189 -20.7189 -20.6923 -20.6923 -20.6491 -20.6491 -20.6325 -20.6325 -6.9313 -6.9313 -6.8818 -6.8818 -5.1333 -5.1333 -4.0558 -4.0558 -3.0008 -3.0008 -2.8998 -2.8998 2.0597 2.0597 2.1982 2.1982 2.4618 2.4618 3.3000 3.3000 4.4205 4.4205 4.7795 4.7795 4.8948 4.8948 5.3172 5.3172 5.9365 5.9365 6.0709 6.0709 6.6152 6.6152 7.1922 7.1922 7.6556 7.6556 7.8264 7.8264 8.2743 8.2743 8.3982 8.3982 8.5925 8.5925 9.5049 9.5049 10.8482 10.8482 10.9925 10.9925 11.2286 11.2286 11.4739 11.4739 k = 0.0349-0.0000 0.1992 ( 7100 PWs) bands (ev): -54.0762 -54.0762 -54.0752 -54.0752 -28.3920 -28.3920 -28.3847 -28.3847 -20.7191 -20.7191 -20.6926 -20.6926 -20.6495 -20.6495 -20.6328 -20.6328 -6.9290 -6.9290 -6.8780 -6.8780 -5.1317 -5.1317 -4.0545 -4.0545 -2.9998 -2.9998 -2.8982 -2.8982 2.0633 2.0633 2.2037 2.2037 2.4631 2.4631 3.3039 3.3039 4.4216 4.4216 4.7702 4.7702 4.8743 4.8743 5.3110 5.3110 5.8884 5.8884 6.0952 6.0952 6.6245 6.6245 7.1652 7.1652 7.6148 7.6148 7.8452 7.8452 8.2288 8.2288 8.4118 8.4118 8.6154 8.6154 9.5395 9.5395 10.8381 10.8381 10.9996 10.9996 11.2246 11.2246 11.4577 11.4577 k = 0.0465-0.0000 0.1992 ( 7098 PWs) bands (ev): -54.0761 -54.0761 -54.0752 -54.0752 -28.3921 -28.3921 -28.3848 -28.3848 -20.7192 -20.7192 -20.6929 -20.6929 -20.6500 -20.6500 -20.6331 -20.6331 -6.9258 -6.9258 -6.8729 -6.8729 -5.1294 -5.1294 -4.0528 -4.0528 -2.9984 -2.9984 -2.8960 -2.8960 2.0683 2.0683 2.2113 2.2113 2.4651 2.4651 3.3094 3.3094 4.4229 4.4229 4.7572 4.7572 4.8465 4.8465 5.3021 5.3021 5.8332 5.8332 6.1194 6.1194 6.6355 6.6355 7.1284 7.1284 7.5688 7.5688 7.8599 7.8599 8.1804 8.1804 8.4190 8.4190 8.6467 8.6467 9.5845 9.5845 10.8244 10.8244 11.0088 11.0088 11.2213 11.2213 11.4364 11.4364 k = 0.0581-0.0000 0.1992 ( 7100 PWs) bands (ev): -54.0761 -54.0761 -54.0752 -54.0752 -28.3923 -28.3923 -28.3850 -28.3850 -20.7195 -20.7195 -20.6933 -20.6933 -20.6506 -20.6506 -20.6336 -20.6336 -6.9217 -6.9217 -6.8663 -6.8663 -5.1264 -5.1264 -4.0507 -4.0507 -2.9967 -2.9967 -2.8932 -2.8932 2.0746 2.0746 2.2206 2.2206 2.4682 2.4682 3.3163 3.3163 4.4243 4.4243 4.7404 4.7404 4.8124 4.8124 5.2905 5.2905 5.7721 5.7721 6.1439 6.1439 6.6469 6.6469 7.0828 7.0828 7.5189 7.5189 7.8679 7.8679 8.1316 8.1316 8.4207 8.4207 8.6856 8.6856 9.6370 9.6370 10.8072 10.8072 11.0192 11.0192 11.2201 11.2201 11.4116 11.4116 k = 0.0698-0.0000 0.1992 ( 7108 PWs) bands (ev): -54.0761 -54.0761 -54.0752 -54.0752 -28.3925 -28.3925 -28.3852 -28.3852 -20.7198 -20.7198 -20.6938 -20.6938 -20.6513 -20.6513 -20.6341 -20.6341 -6.9166 -6.9166 -6.8584 -6.8584 -5.1227 -5.1227 -4.0481 -4.0481 -2.9945 -2.9945 -2.8898 -2.8898 2.0824 2.0824 2.2313 2.2313 2.4726 2.4726 3.3247 3.3247 4.4255 4.4255 4.7192 4.7192 4.7736 4.7736 5.2759 5.2759 5.7066 5.7066 6.1684 6.1684 6.6574 6.6574 7.0295 7.0295 7.4661 7.4661 7.8661 7.8661 8.0860 8.0860 8.4175 8.4175 8.7309 8.7309 9.6947 9.6947 10.7875 10.7875 11.0301 11.0301 11.2220 11.2220 11.3852 11.3852 k = 0.0814-0.0000 0.1992 ( 7112 PWs) bands (ev): -54.0760 -54.0760 -54.0751 -54.0751 -28.3927 -28.3927 -28.3855 -28.3855 -20.7202 -20.7202 -20.6945 -20.6945 -20.6521 -20.6521 -20.6347 -20.6347 -6.9107 -6.9107 -6.8492 -6.8492 -5.1183 -5.1183 -4.0451 -4.0451 -2.9920 -2.9920 -2.8858 -2.8858 2.0914 2.0914 2.2428 2.2428 2.4788 2.4788 3.3345 3.3345 4.4261 4.4261 4.6910 4.6910 4.7337 4.7337 5.2584 5.2584 5.6387 5.6387 6.1922 6.1922 6.6664 6.6664 6.9700 6.9700 7.4111 7.4111 7.8510 7.8510 8.0475 8.0475 8.4103 8.4103 8.7813 8.7813 9.7551 9.7551 10.7659 10.7659 11.0407 11.0407 11.2273 11.2273 11.3592 11.3592 k = 0.0930-0.0000 0.1992 ( 7112 PWs) bands (ev): -54.0760 -54.0760 -54.0751 -54.0751 -28.3930 -28.3930 -28.3858 -28.3858 -20.7207 -20.7207 -20.6953 -20.6953 -20.6530 -20.6530 -20.6353 -20.6353 -6.9038 -6.9038 -6.8388 -6.8388 -5.1132 -5.1132 -4.0419 -4.0419 -2.9891 -2.9891 -2.8813 -2.8813 2.1018 2.1018 2.2547 2.2547 2.4875 2.4875 3.3455 3.3455 4.4256 4.4256 4.6508 4.6508 4.6987 4.6987 5.2375 5.2375 5.5700 5.5700 6.2144 6.2144 6.6729 6.6729 6.9060 6.9060 7.3546 7.3546 7.8204 7.8204 8.0188 8.0188 8.3999 8.3999 8.8359 8.8359 9.8164 9.8164 10.7436 10.7436 11.0498 11.0498 11.2355 11.2355 11.3361 11.3361 k = 0.1047-0.0000 0.1992 ( 7116 PWs) bands (ev): -54.0759 -54.0759 -54.0751 -54.0751 -28.3933 -28.3933 -28.3861 -28.3861 -20.7213 -20.7213 -20.6962 -20.6962 -20.6539 -20.6539 -20.6360 -20.6360 -6.8960 -6.8960 -6.8273 -6.8273 -5.1073 -5.1073 -4.0383 -4.0383 -2.9859 -2.9859 -2.8763 -2.8763 2.1134 2.1134 2.2663 2.2663 2.4991 2.4991 3.3578 3.3578 4.4231 4.4231 4.5990 4.5990 4.6694 4.6694 5.2132 5.2132 5.5023 5.5023 6.2341 6.2341 6.6756 6.6756 6.8400 6.8400 7.2975 7.2975 7.7763 7.7763 7.9978 7.9978 8.3869 8.3869 8.8935 8.8935 9.8769 9.8769 10.7216 10.7216 11.0563 11.0563 11.2450 11.2450 11.3192 11.3192 k = 0.1163-0.0000 0.1992 ( 7102 PWs) bands (ev): -54.0758 -54.0758 -54.0750 -54.0750 -28.3936 -28.3936 -28.3864 -28.3864 -20.7219 -20.7219 -20.6971 -20.6971 -20.6548 -20.6548 -20.6366 -20.6366 -6.8873 -6.8873 -6.8148 -6.8148 -5.1007 -5.1007 -4.0346 -4.0346 -2.9823 -2.9823 -2.8708 -2.8708 2.1262 2.1262 2.2768 2.2768 2.5144 2.5144 3.3711 3.3711 4.4172 4.4172 4.5410 4.5410 4.6424 4.6424 5.1851 5.1851 5.4374 5.4374 6.2501 6.2501 6.6702 6.6702 6.7773 6.7773 7.2407 7.2407 7.7231 7.7231 7.9803 7.9803 8.3720 8.3720 8.9533 8.9533 9.9353 9.9353 10.7009 10.7009 11.0588 11.0588 11.2525 11.2525 11.3135 11.3135 k = 0.1279-0.0000 0.1992 ( 7102 PWs) bands (ev): -54.0758 -54.0758 -54.0750 -54.0750 -28.3939 -28.3939 -28.3867 -28.3867 -20.7227 -20.7227 -20.6983 -20.6983 -20.6558 -20.6558 -20.6373 -20.6373 -6.8778 -6.8778 -6.8012 -6.8012 -5.0933 -5.0933 -4.0307 -4.0307 -2.9783 -2.9783 -2.8649 -2.8649 2.1401 2.1401 2.2860 2.2860 2.5338 2.5338 3.3854 3.3854 4.4036 4.4036 4.4820 4.4820 4.6168 4.6168 5.1530 5.1530 5.3768 5.3768 6.2610 6.2610 6.6439 6.6439 6.7317 6.7317 7.1852 7.1852 7.6646 7.6646 7.9625 7.9625 8.3555 8.3555 9.0144 9.0144 9.9906 9.9906 10.6824 10.6824 11.0563 11.0563 11.2563 11.2563 11.3219 11.3219 k = 0.1395-0.0000 0.1992 ( 7112 PWs) bands (ev): -54.0757 -54.0757 -54.0749 -54.0749 -28.3943 -28.3943 -28.3872 -28.3872 -20.7237 -20.7237 -20.6997 -20.6997 -20.6567 -20.6567 -20.6380 -20.6380 -6.8675 -6.8675 -6.7868 -6.7868 -5.0851 -5.0851 -4.0268 -4.0268 -2.9740 -2.9740 -2.8586 -2.8586 2.1551 2.1551 2.2933 2.2933 2.5575 2.5575 3.4003 3.4003 4.3699 4.3699 4.4346 4.4346 4.5929 4.5929 5.1170 5.1170 5.3216 5.3216 6.2654 6.2654 6.5898 6.5898 6.7111 6.7111 7.1328 7.1328 7.6028 7.6028 7.9423 7.9423 8.3381 8.3381 9.0766 9.0766 10.0419 10.0419 10.6668 10.6668 11.0486 11.0486 11.2605 11.2605 11.3406 11.3406 k = 0.1512-0.0000 0.1992 ( 7112 PWs) bands (ev): -54.0756 -54.0756 -54.0748 -54.0748 -28.3946 -28.3946 -28.3876 -28.3876 -20.7248 -20.7248 -20.7011 -20.7011 -20.6576 -20.6576 -20.6386 -20.6386 -6.8564 -6.8564 -6.7716 -6.7716 -5.0760 -5.0760 -4.0229 -4.0229 -2.9693 -2.9693 -2.8519 -2.8519 2.1711 2.1711 2.2989 2.2989 2.5856 2.5856 3.4158 3.4158 4.3089 4.3089 4.4053 4.4053 4.5716 4.5716 5.0774 5.0774 5.2724 5.2724 6.2617 6.2617 6.5256 6.5256 6.6985 6.6985 7.0851 7.0851 7.5390 7.5390 7.9186 7.9186 8.3200 8.3200 9.1392 9.1392 10.0888 10.0888 10.6545 10.6545 11.0368 11.0368 11.2686 11.2686 11.3651 11.3651 k = 0.1628-0.0000 0.1992 ( 7108 PWs) bands (ev): -54.0756 -54.0756 -54.0748 -54.0748 -28.3950 -28.3950 -28.3880 -28.3880 -20.7261 -20.7261 -20.7028 -20.7028 -20.6584 -20.6584 -20.6392 -20.6392 -6.8446 -6.8446 -6.7557 -6.7557 -5.0661 -5.0661 -4.0190 -4.0190 -2.9643 -2.9643 -2.8448 -2.8448 2.1881 2.1881 2.3029 2.3029 2.6179 2.6179 3.4314 3.4314 4.2356 4.2356 4.3793 4.3793 4.5534 4.5534 5.0354 5.0354 5.2290 5.2290 6.2482 6.2482 6.4619 6.4619 6.6836 6.6836 7.0445 7.0445 7.4739 7.4739 7.8907 7.8907 8.3016 8.3016 9.2022 9.2022 10.1308 10.1308 10.6457 10.6457 11.0224 11.0224 11.2811 11.2811 11.3932 11.3932 k = 0.1744-0.0000 0.1992 ( 7104 PWs) bands (ev): -54.0755 -54.0755 -54.0747 -54.0747 -28.3954 -28.3954 -28.3885 -28.3885 -20.7275 -20.7275 -20.7046 -20.7046 -20.6592 -20.6592 -20.6398 -20.6398 -6.8321 -6.8321 -6.7392 -6.7392 -5.0552 -5.0552 -4.0154 -4.0154 -2.9589 -2.9589 -2.8375 -2.8375 2.2059 2.2059 2.3056 2.3056 2.6541 2.6541 3.4468 3.4468 4.1573 4.1573 4.3505 4.3505 4.5379 4.5379 4.9923 4.9923 5.1905 5.1905 6.2232 6.2232 6.4032 6.4032 6.6624 6.6624 7.0131 7.0131 7.4082 7.4082 7.8585 7.8585 8.2831 8.2831 9.2654 9.2654 10.1679 10.1679 10.6406 10.6406 11.0071 11.0071 11.2972 11.2972 11.4236 11.4236 k = 0.1860-0.0000 0.1992 ( 7102 PWs) bands (ev): -54.0754 -54.0754 -54.0746 -54.0746 -28.3957 -28.3957 -28.3890 -28.3890 -20.7291 -20.7291 -20.7065 -20.7065 -20.6598 -20.6598 -20.6403 -20.6403 -6.8190 -6.8190 -6.7222 -6.7222 -5.0434 -5.0434 -4.0121 -4.0121 -2.9532 -2.9532 -2.8300 -2.8300 2.2244 2.2244 2.3072 2.3072 2.6937 2.6937 3.4614 3.4614 4.0761 4.0761 4.3184 4.3184 4.5242 4.5242 4.9495 4.9495 5.1559 5.1559 6.1866 6.1866 6.3512 6.3512 6.6330 6.6330 6.9917 6.9917 7.3424 7.3424 7.8218 7.8218 8.2647 8.2647 9.3289 9.3289 10.2001 10.2001 10.6389 10.6389 10.9922 10.9922 11.3159 11.3159 11.4556 11.4556 k = 0.1977-0.0000 0.1992 ( 7104 PWs) bands (ev): -54.0753 -54.0753 -54.0746 -54.0746 -28.3962 -28.3962 -28.3895 -28.3895 -20.7308 -20.7308 -20.7087 -20.7087 -20.6603 -20.6603 -20.6408 -20.6408 -6.8053 -6.8053 -6.7049 -6.7049 -5.0306 -5.0306 -4.0092 -4.0092 -2.9472 -2.9472 -2.8223 -2.8223 2.2435 2.2435 2.3082 2.3082 2.7364 2.7364 3.4746 3.4746 3.9934 3.9934 4.2840 4.2840 4.5113 4.5113 4.9082 4.9082 5.1244 5.1244 6.1409 6.1409 6.3045 6.3045 6.5957 6.5957 6.9794 6.9794 7.2772 7.2772 7.7809 7.7809 8.2464 8.2464 9.3926 9.3926 10.2277 10.2277 10.6403 10.6403 10.9787 10.9787 11.3364 11.3364 11.4880 11.4880 k = 0.2093-0.0000 0.1992 ( 7104 PWs) bands (ev): -54.0752 -54.0752 -54.0745 -54.0745 -28.3966 -28.3966 -28.3901 -28.3901 -20.7326 -20.7326 -20.7110 -20.7110 -20.6606 -20.6606 -20.6412 -20.6412 -6.7911 -6.7911 -6.6873 -6.6873 -5.0168 -5.0168 -4.0069 -4.0069 -2.9408 -2.9408 -2.8144 -2.8144 2.2630 2.2630 2.3088 2.3088 2.7818 2.7818 3.4857 3.4857 3.9099 3.9099 4.2489 4.2489 4.4982 4.4982 4.8690 4.8690 5.0952 5.0952 6.0904 6.0904 6.2599 6.2599 6.5519 6.5519 6.9736 6.9736 7.2142 7.2142 7.7360 7.7360 8.2282 8.2282 9.4567 9.4567 10.2511 10.2511 10.6444 10.6444 10.9669 10.9669 11.3576 11.3576 11.5192 11.5192 k = 0.2209-0.0000 0.1992 ( 7106 PWs) bands (ev): -54.0751 -54.0751 -54.0744 -54.0744 -28.3970 -28.3970 -28.3907 -28.3907 -20.7346 -20.7346 -20.7134 -20.7134 -20.6609 -20.6609 -20.6416 -20.6416 -6.7764 -6.7764 -6.6696 -6.6696 -5.0019 -5.0019 -4.0051 -4.0051 -2.9342 -2.9342 -2.8065 -2.8065 2.2826 2.2826 2.3097 2.3097 2.8297 2.8297 3.4934 3.4934 3.8265 3.8265 4.2145 4.2145 4.4842 4.4842 4.8324 4.8324 5.0681 5.0681 6.0389 6.0389 6.2150 6.2150 6.5033 6.5033 6.9694 6.9694 7.1560 7.1560 7.6876 7.6876 8.2101 8.2101 9.5213 9.5213 10.2709 10.2709 10.6505 10.6505 10.9575 10.9575 11.3787 11.3787 11.5472 11.5472 k = 0.2326-0.0000 0.1992 ( 7094 PWs) bands (ev): -54.0750 -54.0750 -54.0743 -54.0743 -28.3974 -28.3974 -28.3912 -28.3912 -20.7367 -20.7367 -20.7160 -20.7160 -20.6609 -20.6609 -20.6418 -20.6418 -6.7613 -6.7613 -6.6518 -6.6518 -4.9860 -4.9860 -4.0041 -4.0041 -2.9272 -2.9272 -2.7986 -2.7986 2.3000 2.3000 2.3132 2.3132 2.8795 2.8795 3.4966 3.4966 3.7439 3.7439 4.1827 4.1827 4.4688 4.4688 4.7987 4.7987 5.0428 5.0428 5.9888 5.9888 6.1684 6.1684 6.4513 6.4513 6.9590 6.9590 7.1090 7.1090 7.6362 7.6362 8.1919 8.1919 9.5866 9.5866 10.2878 10.2878 10.6581 10.6581 10.9505 10.9505 11.3986 11.3986 11.5695 11.5695 k = 0.2442-0.0000 0.1992 ( 7096 PWs) bands (ev): -54.0749 -54.0749 -54.0743 -54.0743 -28.3978 -28.3978 -28.3918 -28.3918 -20.7388 -20.7388 -20.7187 -20.7187 -20.6609 -20.6609 -20.6421 -20.6421 -6.7459 -6.7459 -6.6342 -6.6342 -4.9690 -4.9690 -4.0040 -4.0040 -2.9198 -2.9198 -2.7908 -2.7908 2.3066 2.3066 2.3277 2.3277 2.9310 2.9310 3.4936 3.4936 3.6632 3.6632 4.1551 4.1551 4.4516 4.4516 4.7681 4.7681 5.0194 5.0194 5.9414 5.9414 6.1196 6.1196 6.3972 6.3972 6.9318 6.9318 7.0825 7.0825 7.5824 7.5824 8.1734 8.1734 9.6524 9.6524 10.3025 10.3025 10.6666 10.6666 10.9462 10.9462 11.4165 11.4165 11.5862 11.5862 k = 0.2558-0.0000 0.1992 ( 7090 PWs) bands (ev): -54.0748 -54.0748 -54.0742 -54.0742 -28.3982 -28.3982 -28.3923 -28.3923 -20.7411 -20.7411 -20.7215 -20.7215 -20.6608 -20.6608 -20.6423 -20.6423 -6.7303 -6.7303 -6.6168 -6.6168 -4.9508 -4.9508 -4.0049 -4.0049 -2.9122 -2.9122 -2.7830 -2.7830 2.3084 2.3084 2.3475 2.3475 2.9839 2.9839 3.4824 3.4824 3.5858 3.5858 4.1333 4.1333 4.4323 4.4323 4.7406 4.7406 4.9979 4.9979 5.8972 5.8972 6.0689 6.0689 6.3415 6.3415 6.8869 6.8869 7.0764 7.0764 7.5270 7.5270 8.1545 8.1545 9.7190 9.7190 10.3159 10.3159 10.6754 10.6754 10.9444 10.9444 11.4314 11.4314 11.5997 11.5997 k = 0.2674-0.0000 0.1992 ( 7092 PWs) bands (ev): -54.0747 -54.0747 -54.0741 -54.0741 -28.3986 -28.3986 -28.3929 -28.3929 -20.7433 -20.7433 -20.7244 -20.7244 -20.6605 -20.6605 -20.6425 -20.6425 -6.7144 -6.7144 -6.5997 -6.5997 -4.9314 -4.9314 -4.0068 -4.0068 -2.9043 -2.9043 -2.7755 -2.7755 2.3099 2.3099 2.3679 2.3679 3.0377 3.0377 3.4579 3.4579 3.5164 3.5164 4.1182 4.1182 4.4110 4.4110 4.7164 4.7164 4.9786 4.9786 5.8563 5.8563 6.0166 6.0166 6.2848 6.2848 6.8330 6.8330 7.0810 7.0810 7.4710 7.4710 8.1349 8.1349 9.7863 9.7863 10.3288 10.3288 10.6840 10.6840 10.9451 10.9451 11.4430 11.4430 11.6127 11.6127 k = 0.2791-0.0000 0.1992 ( 7098 PWs) bands (ev): -54.0746 -54.0746 -54.0740 -54.0740 -28.3991 -28.3991 -28.3935 -28.3935 -20.7457 -20.7457 -20.7273 -20.7273 -20.6601 -20.6601 -20.6427 -20.6427 -6.6984 -6.6984 -6.5831 -6.5831 -4.9109 -4.9109 -4.0099 -4.0099 -2.8961 -2.8961 -2.7681 -2.7681 2.3118 2.3118 2.3882 2.3882 3.0920 3.0920 3.4090 3.4090 3.4666 3.4666 4.1102 4.1102 4.3879 4.3879 4.6954 4.6954 4.9620 4.9620 5.8182 5.8182 5.9631 5.9631 6.2275 6.2275 6.7764 6.7764 7.0890 7.0890 7.4159 7.4159 8.1144 8.1144 9.8542 9.8542 10.3420 10.3420 10.6921 10.6921 10.9483 10.9483 11.4516 11.4516 11.6265 11.6265 k = 0.2907-0.0000 0.1992 ( 7094 PWs) bands (ev): -54.0745 -54.0745 -54.0740 -54.0740 -28.3995 -28.3995 -28.3941 -28.3941 -20.7480 -20.7480 -20.7303 -20.7303 -20.6597 -20.6597 -20.6428 -20.6428 -6.6824 -6.6824 -6.5671 -6.5671 -4.8892 -4.8892 -4.0144 -4.0144 -2.8877 -2.8877 -2.7611 -2.7611 2.3144 2.3144 2.4082 2.4082 3.1465 3.1465 3.3441 3.3441 3.4287 3.4287 4.1087 4.1087 4.3634 4.3634 4.6777 4.6777 4.9484 4.9484 5.7823 5.7823 5.9091 5.9091 6.1699 6.1699 6.7202 6.7202 7.0954 7.0954 7.3642 7.3642 8.0929 8.0929 9.9226 9.9226 10.3563 10.3563 10.6996 10.6996 10.9536 10.9536 11.4580 11.4580 11.6407 11.6407 k = 0.3023-0.0000 0.1992 ( 7088 PWs) bands (ev): -54.0744 -54.0744 -54.0739 -54.0739 -28.3998 -28.3998 -28.3947 -28.3947 -20.7503 -20.7503 -20.7333 -20.7333 -20.6591 -20.6591 -20.6429 -20.6429 -6.6664 -6.6664 -6.5518 -6.5518 -4.8664 -4.8664 -4.0202 -4.0202 -2.8790 -2.8790 -2.7544 -2.7544 2.3176 2.3176 2.4276 2.4276 3.2005 3.2005 3.2778 3.2778 3.3901 3.3901 4.1119 4.1119 4.3389 4.3389 4.6635 4.6635 4.9381 4.9381 5.7475 5.7475 5.8549 5.8549 6.1124 6.1124 6.6659 6.6659 7.0949 7.0949 7.3202 7.3202 8.0702 8.0702 9.9914 9.9914 10.3726 10.3726 10.7065 10.7065 10.9607 10.9607 11.4628 11.4628 11.6540 11.6540 k = 0.3140-0.0000 0.1992 ( 7086 PWs) bands (ev): -54.0743 -54.0743 -54.0738 -54.0738 -28.4001 -28.4001 -28.3952 -28.3952 -20.7525 -20.7525 -20.7363 -20.7363 -20.6585 -20.6585 -20.6429 -20.6429 -6.6504 -6.6504 -6.5373 -6.5373 -4.8424 -4.8424 -4.0275 -4.0275 -2.8701 -2.8701 -2.7481 -2.7481 2.3216 2.3216 2.4462 2.4462 3.2136 3.2136 3.2530 3.2530 3.3491 3.3491 4.1171 4.1171 4.3164 4.3164 4.6529 4.6529 4.9314 4.9314 5.7127 5.7127 5.8014 5.8014 6.0553 6.0553 6.6145 6.6145 7.0813 7.0813 7.2901 7.2901 8.0461 8.0461 10.0602 10.0602 10.3913 10.3913 10.7131 10.7131 10.9693 10.9693 11.4666 11.4666 11.6648 11.6648 k = 0.3256-0.0000 0.1992 ( 7086 PWs) bands (ev): -54.0742 -54.0742 -54.0738 -54.0738 -28.4005 -28.4005 -28.3958 -28.3958 -20.7546 -20.7546 -20.7393 -20.7393 -20.6579 -20.6579 -20.6430 -20.6430 -6.6346 -6.6346 -6.5237 -6.5237 -4.8172 -4.8172 -4.0363 -4.0363 -2.8610 -2.8610 -2.7423 -2.7423 2.3263 2.3263 2.4638 2.4638 3.1532 3.1532 3.2874 3.2874 3.3220 3.3220 4.1200 4.1200 4.2997 4.2997 4.6462 4.6462 4.9285 4.9285 5.6761 5.6761 5.7493 5.7493 5.9991 5.9991 6.5666 6.5666 7.0508 7.0508 7.2774 7.2774 8.0206 8.0206 10.1287 10.1287 10.4131 10.4131 10.7197 10.7197 10.9788 10.9788 11.4697 11.4697 11.6716 11.6716 k = 0.3372-0.0000 0.1992 ( 7086 PWs) bands (ev): -54.0741 -54.0741 -54.0737 -54.0737 -28.4008 -28.4008 -28.3964 -28.3964 -20.7567 -20.7567 -20.7422 -20.7422 -20.6572 -20.6572 -20.6431 -20.6431 -6.6191 -6.6191 -6.5111 -6.5111 -4.7910 -4.7910 -4.0468 -4.0468 -2.8518 -2.8518 -2.7370 -2.7370 2.3319 2.3319 2.4801 2.4801 3.0967 3.0967 3.2511 3.2511 3.3622 3.3622 4.1154 4.1154 4.2935 4.2935 4.6434 4.6434 4.9293 4.9293 5.6358 5.6358 5.7001 5.7001 5.9441 5.9441 6.5228 6.5228 7.0068 7.0068 7.2790 7.2790 7.9938 7.9938 10.1965 10.1965 10.4382 10.4382 10.7271 10.7271 10.9889 10.9889 11.4717 11.4717 11.6739 11.6739 k = 0.3488-0.0000 0.1992 ( 7080 PWs) bands (ev): -54.0740 -54.0740 -54.0736 -54.0736 -28.4011 -28.4011 -28.3969 -28.3969 -20.7587 -20.7587 -20.7450 -20.7450 -20.6564 -20.6564 -20.6432 -20.6432 -6.6038 -6.6038 -6.4995 -6.4995 -4.7637 -4.7637 -4.0589 -4.0589 -2.8424 -2.8424 -2.7323 -2.7323 2.3384 2.3384 2.4949 2.4949 3.0446 3.0446 3.2046 3.2046 3.4099 3.4099 4.1005 4.1005 4.3005 4.3005 4.6449 4.6449 4.9336 4.9336 5.5904 5.5904 5.6546 5.6546 5.8906 5.8906 6.4834 6.4834 6.9553 6.9553 7.2892 7.2892 7.9656 7.9656 10.2630 10.2630 10.4667 10.4667 10.7362 10.7362 10.9989 10.9989 11.4725 11.4725 11.6721 11.6721 k = 0.3605-0.0000 0.1992 ( 7078 PWs) bands (ev): -54.0740 -54.0740 -54.0736 -54.0736 -28.4013 -28.4013 -28.3974 -28.3974 -20.7606 -20.7606 -20.7478 -20.7478 -20.6556 -20.6556 -20.6433 -20.6433 -6.5888 -6.5888 -6.4890 -6.4890 -4.7355 -4.7355 -4.0727 -4.0727 -2.8330 -2.8330 -2.7282 -2.7282 2.3456 2.3456 2.5080 2.5080 2.9971 2.9971 3.1575 3.1575 3.4556 3.4556 4.0770 4.0770 4.3190 4.3190 4.6509 4.6509 4.9414 4.9414 5.5399 5.5399 5.6126 5.6126 5.8386 5.8386 6.4488 6.4488 6.9004 6.9004 7.3040 7.3040 7.9362 7.9362 10.3276 10.3276 10.4982 10.4982 10.7482 10.7482 11.0083 11.0083 11.4717 11.4717 11.6681 11.6681 k = 0.3721-0.0000 0.1992 ( 7084 PWs) bands (ev): -54.0739 -54.0739 -54.0735 -54.0735 -28.4015 -28.4015 -28.3980 -28.3980 -20.7623 -20.7623 -20.7505 -20.7505 -20.6549 -20.6549 -20.6435 -20.6435 -6.5743 -6.5743 -6.4797 -6.4797 -4.7063 -4.7063 -4.0882 -4.0882 -2.8236 -2.8236 -2.7247 -2.7247 2.3536 2.3536 2.5191 2.5191 2.9544 2.9544 3.1111 3.1111 3.4986 3.4986 4.0483 4.0483 4.3457 4.3457 4.6615 4.6615 4.9523 4.9523 5.4858 5.4858 5.5724 5.5724 5.7883 5.7883 6.4189 6.4189 6.8446 6.8446 7.3214 7.3214 7.9057 7.9057 10.3893 10.3893 10.5322 10.5322 10.7643 10.7643 11.0168 11.0168 11.4692 11.4692 11.6633 11.6633 k = 0.3837-0.0000 0.1992 ( 7086 PWs) bands (ev): -54.0738 -54.0738 -54.0735 -54.0735 -28.4017 -28.4017 -28.3985 -28.3985 -20.7638 -20.7638 -20.7530 -20.7530 -20.6541 -20.6541 -20.6437 -20.6437 -6.5603 -6.5603 -6.4717 -6.4717 -4.6763 -4.6763 -4.1054 -4.1054 -2.8142 -2.8142 -2.7220 -2.7220 2.3624 2.3624 2.5279 2.5279 2.9165 2.9165 3.0664 3.0664 3.5382 3.5382 4.0174 4.0174 4.3778 4.3778 4.6767 4.6767 4.9659 4.9659 5.4295 5.4295 5.5331 5.5331 5.7397 5.7397 6.3940 6.3940 6.7892 6.7892 7.3403 7.3403 7.8745 7.8745 10.4472 10.4472 10.5679 10.5679 10.7855 10.7855 11.0246 11.0246 11.4655 11.4655 11.6588 11.6588 k = 0.3953-0.0000 0.1992 ( 7084 PWs) bands (ev): -54.0737 -54.0737 -54.0734 -54.0734 -28.4019 -28.4019 -28.3990 -28.3990 -20.7652 -20.7652 -20.7554 -20.7554 -20.6533 -20.6533 -20.6439 -20.6439 -6.5468 -6.5468 -6.4649 -6.4649 -4.6456 -4.6456 -4.1242 -4.1242 -2.8050 -2.8050 -2.7199 -2.7199 2.3718 2.3718 2.5343 2.5343 2.8837 2.8837 3.0240 3.0240 3.5743 3.5743 3.9860 3.9860 4.4139 4.4139 4.6966 4.6966 4.9817 4.9817 5.3717 5.3717 5.4944 5.4944 5.6925 5.6925 6.3737 6.3737 6.7351 6.7351 7.3602 7.3602 7.8426 7.8426 10.4992 10.4992 10.6056 10.6056 10.8119 10.8119 11.0325 11.0325 11.4608 11.4608 11.6546 11.6546 k = 0.4070-0.0000 0.1992 ( 7094 PWs) bands (ev): -54.0737 -54.0737 -54.0734 -54.0734 -28.4021 -28.4021 -28.3994 -28.3994 -20.7665 -20.7665 -20.7577 -20.7577 -20.6525 -20.6525 -20.6441 -20.6441 -6.5340 -6.5340 -6.4594 -6.4594 -4.6143 -4.6143 -4.1447 -4.1447 -2.7958 -2.7958 -2.7187 -2.7187 2.3818 2.3818 2.5380 2.5380 2.8559 2.8559 2.9843 2.9843 3.6066 3.6066 3.9552 3.9552 4.4532 4.4532 4.7209 4.7209 4.9992 4.9992 5.3129 5.3129 5.4564 5.4564 5.6467 5.6467 6.3580 6.3580 6.6831 6.6831 7.3809 7.3809 7.8105 7.8105 10.5433 10.5433 10.6460 10.6460 10.8416 10.8416 11.0428 11.0428 11.4553 11.4553 11.6500 11.6500 k = 0.4186-0.0000 0.1992 ( 7098 PWs) bands (ev): -54.0736 -54.0736 -54.0734 -54.0734 -28.4022 -28.4022 -28.3999 -28.3999 -20.7675 -20.7675 -20.7598 -20.7598 -20.6518 -20.6518 -20.6443 -20.6443 -6.5219 -6.5219 -6.4551 -6.4551 -4.5825 -4.5825 -4.1668 -4.1668 -2.7870 -2.7870 -2.7182 -2.7182 2.3924 2.3924 2.5388 2.5388 2.8330 2.8330 2.9480 2.9480 3.6354 3.6354 3.9257 3.9257 4.4950 4.4950 4.7492 4.7492 5.0174 5.0174 5.2537 5.2537 5.4198 5.4198 5.6023 5.6023 6.3468 6.3468 6.6335 6.6335 7.4021 7.4021 7.7783 7.7783 10.5785 10.5785 10.6890 10.6890 10.8715 10.8715 11.0595 11.0595 11.4485 11.4485 11.6442 11.6442 k = 0.4302-0.0000 0.1992 ( 7098 PWs) bands (ev): -54.0736 -54.0736 -54.0734 -54.0734 -28.4023 -28.4023 -28.4002 -28.4002 -20.7684 -20.7684 -20.7617 -20.7617 -20.6510 -20.6510 -20.6446 -20.6446 -6.5105 -6.5105 -6.4522 -6.4522 -4.5504 -4.5504 -4.1904 -4.1904 -2.7784 -2.7784 -2.7184 -2.7184 2.4036 2.4036 2.5368 2.5368 2.8150 2.8150 2.9152 2.9152 3.6608 3.6608 3.8979 3.8979 4.5392 4.5392 4.7810 4.7810 5.0351 5.0351 5.1943 5.1943 5.3855 5.3855 5.5593 5.5593 6.3399 6.3399 6.5869 6.5869 7.4240 7.4240 7.7464 7.7464 10.6066 10.6066 10.7301 10.7301 10.9000 10.9000 11.0858 11.0858 11.4397 11.4397 11.6359 11.6359 k = 0.4419-0.0000 0.1992 ( 7082 PWs) bands (ev): -54.0735 -54.0735 -54.0733 -54.0733 -28.4023 -28.4023 -28.4005 -28.4005 -20.7690 -20.7690 -20.7633 -20.7633 -20.6503 -20.6503 -20.6449 -20.6449 -6.4999 -6.4999 -6.4506 -6.4506 -4.5180 -4.5180 -4.2154 -4.2154 -2.7702 -2.7702 -2.7195 -2.7195 2.4153 2.4153 2.5320 2.5320 2.8018 2.8018 2.8862 2.8862 3.6833 3.6833 3.8722 3.8722 4.5854 4.5854 4.8157 4.8157 5.0503 5.0503 5.1352 5.1352 5.3551 5.3551 5.5179 5.5179 6.3372 6.3372 6.5437 6.5437 7.4464 7.4464 7.7149 7.7149 10.6303 10.6303 10.7613 10.7613 10.9312 10.9312 11.1215 11.1215 11.4283 11.4283 11.6233 11.6233 k = 0.4535-0.0000 0.1992 ( 7080 PWs) bands (ev): -54.0734 -54.0734 -54.0733 -54.0733 -28.4023 -28.4023 -28.4009 -28.4009 -20.7694 -20.7694 -20.7648 -20.7648 -20.6496 -20.6496 -20.6452 -20.6452 -6.4902 -6.4902 -6.4502 -6.4502 -4.4856 -4.4856 -4.2418 -4.2418 -2.7623 -2.7623 -2.7214 -2.7214 2.4274 2.4274 2.5248 2.5248 2.7930 2.7930 2.8611 2.8611 3.7034 3.7034 3.8486 3.8486 4.6336 4.6336 4.8522 4.8522 5.0584 5.0584 5.0785 5.0785 5.3313 5.3313 5.4783 5.4783 6.3386 6.3386 6.5042 6.5042 7.4694 7.4694 7.6840 7.6840 10.6519 10.6519 10.7762 10.7762 10.9714 10.9714 11.1618 11.1618 11.4148 11.4148 11.6048 11.6048 k = 0.4651-0.0000 0.1992 ( 7096 PWs) bands (ev): -54.0734 -54.0734 -54.0733 -54.0733 -28.4023 -28.4023 -28.4012 -28.4012 -20.7697 -20.7697 -20.7662 -20.7662 -20.6489 -20.6489 -20.6457 -20.6457 -6.4814 -6.4814 -6.4511 -6.4511 -4.4532 -4.4532 -4.2694 -4.2694 -2.7550 -2.7550 -2.7240 -2.7240 2.4399 2.4399 2.5153 2.5153 2.7885 2.7885 2.8399 2.8399 3.7216 3.7216 3.8269 3.8269 4.6836 4.6836 4.8893 4.8893 5.0170 5.0170 5.0638 5.0638 5.3175 5.3175 5.4407 5.4407 6.3443 6.3443 6.4685 6.4685 7.4932 7.4932 7.6540 7.6540 10.6724 10.6724 10.7759 10.7759 11.0206 11.0206 11.1978 11.1978 11.4033 11.4033 11.5786 11.5786 k = 0.4767-0.0000 0.1992 ( 7090 PWs) bands (ev): -54.0734 -54.0734 -54.0733 -54.0733 -28.4022 -28.4022 -28.4015 -28.4015 -20.7696 -20.7696 -20.7673 -20.7673 -20.6483 -20.6483 -20.6461 -20.6461 -6.4736 -6.4736 -6.4533 -6.4533 -4.4211 -4.4211 -4.2980 -4.2980 -2.7482 -2.7482 -2.7274 -2.7274 2.4529 2.4529 2.5043 2.5043 2.7880 2.7880 2.8224 2.8224 3.7387 3.7387 3.8071 3.8071 4.7352 4.7352 4.9215 4.9215 4.9658 4.9658 5.0535 5.0535 5.3161 5.3161 5.4058 5.4058 6.3542 6.3542 6.4370 6.4370 7.5177 7.5177 7.6248 7.6248 10.6927 10.6927 10.7659 10.7659 11.0740 11.0740 11.2162 11.2162 11.4041 11.4041 11.5447 11.5447 k = 0.4884-0.0000 0.1992 ( 7098 PWs) bands (ev): -54.0734 -54.0734 -54.0733 -54.0733 -28.4021 -28.4021 -28.4017 -28.4017 -20.7694 -20.7694 -20.7682 -20.7682 -20.6477 -20.6477 -20.6466 -20.6466 -6.4669 -6.4669 -6.4567 -6.4567 -4.3894 -4.3894 -4.3277 -4.3277 -2.7420 -2.7420 -2.7316 -2.7316 2.4660 2.4660 2.4921 2.4921 2.7913 2.7913 2.8085 2.8085 3.7552 3.7552 3.7889 3.7889 4.7881 4.7881 4.8957 4.8957 4.9719 4.9719 5.0327 5.0327 5.3269 5.3269 5.3742 5.3742 6.3683 6.3683 6.4098 6.4098 7.5430 7.5430 7.5966 7.5966 10.7128 10.7128 10.7505 10.7505 11.1264 11.1264 11.2061 11.2061 11.4260 11.4260 11.5050 11.5050 k = 0.5000-0.0000 0.1992 ( 7104 PWs) bands (ev): -54.0733 -54.0733 -54.0733 -54.0733 -28.4019 -28.4019 -28.4019 -28.4019 -20.7689 -20.7689 -20.7689 -20.7689 -20.6472 -20.6472 -20.6472 -20.6472 -6.4612 -6.4612 -6.4612 -6.4612 -4.3582 -4.3582 -4.3582 -4.3582 -2.7365 -2.7365 -2.7365 -2.7365 2.4792 2.4792 2.4792 2.4792 2.7981 2.7981 2.7981 2.7981 3.7717 3.7717 3.7717 3.7717 4.8422 4.8422 4.8422 4.8422 5.0040 5.0040 5.0040 5.0040 5.3472 5.3472 5.3472 5.3472 6.3869 6.3869 6.3869 6.3869 7.5693 7.5693 7.5693 7.5693 10.7323 10.7323 10.7323 10.7323 11.1727 11.1727 11.1727 11.1727 11.4632 11.4632 11.4632 11.4632 Writing output data file HfSe3.save init_run : 0.25s CPU 0.38s WALL ( 1 calls) electrons : 223.34s CPU 226.38s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 223.34s CPU 226.37s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.08s WALL ( 266 calls) cegterg : 206.64s CPU 208.90s WALL ( 316 calls) Called by sum_band: Called by *egterg: h_psi : 102.54s CPU 103.84s WALL ( 5772 calls) s_psi : 6.75s CPU 6.75s WALL ( 5772 calls) g_psi : 0.39s CPU 0.42s WALL ( 5190 calls) cdiaghg : 77.42s CPU 78.21s WALL ( 5456 calls) cegterg:over : 12.67s CPU 12.89s WALL ( 5190 calls) cegterg:upda : 10.89s CPU 11.22s WALL ( 5190 calls) cegterg:last : 5.59s CPU 5.58s WALL ( 850 calls) cdiaghg:chol : 4.39s CPU 4.53s WALL ( 5456 calls) cdiaghg:inve : 3.27s CPU 3.33s WALL ( 5456 calls) cdiaghg:para : 5.86s CPU 5.87s WALL ( 10912 calls) Called by h_psi: h_psi:vloc : 87.62s CPU 88.89s WALL ( 5772 calls) h_psi:vnl : 14.54s CPU 14.53s WALL ( 5772 calls) add_vuspsi : 7.02s CPU 7.10s WALL ( 5772 calls) General routines calbec : 7.49s CPU 7.41s WALL ( 5772 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 81.76s CPU 83.05s WALL ( 841440 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.19s CPU 0.36s WALL ( 532 calls) Parallel routines fft_scatter : 30.12s CPU 30.89s WALL ( 841463 calls) PWSCF : 4m 7.42s CPU 4m22.19s WALL This run was terminated on: 19: 2:46 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=