Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:45:28 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: ./HgPt3.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S renormalized file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 128 50 15 3362 836 139 Max 129 51 16 3365 847 140 Sum 4629 1829 553 121071 30333 5017 bravais-lattice index = 14 lattice parameter (alat) = 11.9351 a.u. unit-cell volume = 796.0772 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 43.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.935129 celldm(2)= 1.000000 celldm(3)= 0.497641 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.338599 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.338599 0.940931 0.000000 ) a(3) = ( 0.000000 0.000000 0.497641 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.359855 -0.000000 ) b(2) = ( 0.000000 1.062777 -0.000000 ) b(3) = ( 0.000000 0.000000 2.009481 ) PseudoPot. # 1 for Hg read from file: /users/gautes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Hg 12.00 200.59000 Hg( 1.00) Pt 10.00 195.08400 Pt( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 400 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 2) = ( 0.0113189 0.0161027 -0.0000000), wk = 0.0025000 k( 3) = ( 0.0226379 0.0322054 -0.0000000), wk = 0.0025000 k( 4) = ( 0.0339568 0.0483081 -0.0000000), wk = 0.0025000 k( 5) = ( 0.0452757 0.0644107 -0.0000000), wk = 0.0025000 k( 6) = ( 0.0565947 0.0805134 -0.0000000), wk = 0.0025000 k( 7) = ( 0.0679136 0.0966161 -0.0000000), wk = 0.0025000 k( 8) = ( 0.0792326 0.1127188 -0.0000000), wk = 0.0025000 k( 9) = ( 0.0905515 0.1288215 -0.0000000), wk = 0.0025000 k( 10) = ( 0.1018705 0.1449242 -0.0000000), wk = 0.0025000 k( 11) = ( 0.1131894 0.1610269 -0.0000000), wk = 0.0025000 k( 12) = ( 0.1245083 0.1771295 -0.0000000), wk = 0.0025000 k( 13) = ( 0.1358273 0.1932322 -0.0000000), wk = 0.0025000 k( 14) = ( 0.1471462 0.2093349 -0.0000000), wk = 0.0025000 k( 15) = ( 0.1584651 0.2254376 -0.0000000), wk = 0.0025000 k( 16) = ( 0.1697841 0.2415403 -0.0000000), wk = 0.0025000 k( 17) = ( 0.1811030 0.2576430 -0.0000000), wk = 0.0025000 k( 18) = ( 0.1924220 0.2737457 -0.0000000), wk = 0.0025000 k( 19) = ( 0.2037409 0.2898483 -0.0000000), wk = 0.0025000 k( 20) = ( 0.2150598 0.3059510 -0.0000000), wk = 0.0025000 k( 21) = ( 0.2263788 0.3220537 -0.0000000), wk = 0.0025000 k( 22) = ( 0.2376977 0.3381564 -0.0000000), wk = 0.0025000 k( 23) = ( 0.2490167 0.3542591 -0.0000000), wk = 0.0025000 k( 24) = ( 0.2603356 0.3703618 -0.0000000), wk = 0.0025000 k( 25) = ( 0.2716545 0.3864645 -0.0000000), wk = 0.0025000 k( 26) = ( 0.2829735 0.4025671 -0.0000000), wk = 0.0025000 k( 27) = ( 0.2942924 0.4186698 -0.0000000), wk = 0.0025000 k( 28) = ( 0.3056113 0.4347725 -0.0000000), wk = 0.0025000 k( 29) = ( 0.3169303 0.4508752 -0.0000000), wk = 0.0025000 k( 30) = ( 0.3282492 0.4669779 -0.0000000), wk = 0.0025000 k( 31) = ( 0.3395682 0.4830806 -0.0000000), wk = 0.0025000 k( 32) = ( 0.3508871 0.4991833 -0.0000000), wk = 0.0025000 k( 33) = ( 0.3622060 0.5152859 -0.0000000), wk = 0.0025000 k( 34) = ( 0.3735250 0.5313886 -0.0000000), wk = 0.0025000 k( 35) = ( 0.3735250 0.5313886 -0.0000000), wk = 0.0025000 k( 36) = ( 0.3538658 0.5313886 -0.0000000), wk = 0.0025000 k( 37) = ( 0.3342065 0.5313886 -0.0000000), wk = 0.0025000 k( 38) = ( 0.3145474 0.5313886 -0.0000000), wk = 0.0025000 k( 39) = ( 0.2948881 0.5313886 -0.0000000), wk = 0.0025000 k( 40) = ( 0.2752289 0.5313886 -0.0000000), wk = 0.0025000 k( 41) = ( 0.2555697 0.5313886 -0.0000000), wk = 0.0025000 k( 42) = ( 0.2359105 0.5313886 -0.0000000), wk = 0.0025000 k( 43) = ( 0.2162513 0.5313886 -0.0000000), wk = 0.0025000 k( 44) = ( 0.1965921 0.5313886 -0.0000000), wk = 0.0025000 k( 45) = ( 0.1769329 0.5313886 -0.0000000), wk = 0.0025000 k( 46) = ( 0.1572737 0.5313886 -0.0000000), wk = 0.0025000 k( 47) = ( 0.1376145 0.5313886 -0.0000000), wk = 0.0025000 k( 48) = ( 0.1179552 0.5313886 -0.0000000), wk = 0.0025000 k( 49) = ( 0.0982960 0.5313886 -0.0000000), wk = 0.0025000 k( 50) = ( 0.0786368 0.5313886 -0.0000000), wk = 0.0025000 k( 51) = ( 0.0589776 0.5313886 -0.0000000), wk = 0.0025000 k( 52) = ( 0.0393184 0.5313886 -0.0000000), wk = 0.0025000 k( 53) = ( 0.0196592 0.5313886 -0.0000000), wk = 0.0025000 k( 54) = ( 0.0000000 0.5313886 -0.0000000), wk = 0.0025000 k( 55) = ( 0.0000000 0.5313886 -0.0000000), wk = 0.0025000 k( 56) = ( 0.0000000 0.5313886 0.0200948), wk = 0.0025000 k( 57) = ( 0.0000000 0.5313886 0.0401896), wk = 0.0025000 k( 58) = ( 0.0000000 0.5313886 0.0602844), wk = 0.0025000 k( 59) = ( 0.0000000 0.5313886 0.0803792), wk = 0.0025000 k( 60) = ( 0.0000000 0.5313886 0.1004740), wk = 0.0025000 k( 61) = ( 0.0000000 0.5313886 0.1205689), wk = 0.0025000 k( 62) = ( 0.0000000 0.5313886 0.1406637), wk = 0.0025000 k( 63) = ( 0.0000000 0.5313886 0.1607585), wk = 0.0025000 k( 64) = ( 0.0000000 0.5313886 0.1808533), wk = 0.0025000 k( 65) = ( 0.0000000 0.5313886 0.2009481), wk = 0.0025000 k( 66) = ( 0.0000000 0.5313886 0.2210429), wk = 0.0025000 k( 67) = ( 0.0000000 0.5313886 0.2411377), wk = 0.0025000 k( 68) = ( 0.0000000 0.5313886 0.2612325), wk = 0.0025000 k( 69) = ( 0.0000000 0.5313886 0.2813273), wk = 0.0025000 k( 70) = ( 0.0000000 0.5313886 0.3014221), wk = 0.0025000 k( 71) = ( 0.0000000 0.5313886 0.3215170), wk = 0.0025000 k( 72) = ( 0.0000000 0.5313886 0.3416118), wk = 0.0025000 k( 73) = ( 0.0000000 0.5313886 0.3617066), wk = 0.0025000 k( 74) = ( 0.0000000 0.5313886 0.3818014), wk = 0.0025000 k( 75) = ( 0.0000000 0.5313886 0.4018962), wk = 0.0025000 k( 76) = ( 0.0000000 0.5313886 0.4219910), wk = 0.0025000 k( 77) = ( 0.0000000 0.5313886 0.4420858), wk = 0.0025000 k( 78) = ( 0.0000000 0.5313886 0.4621806), wk = 0.0025000 k( 79) = ( 0.0000000 0.5313886 0.4822754), wk = 0.0025000 k( 80) = ( 0.0000000 0.5313886 0.5023702), wk = 0.0025000 k( 81) = ( 0.0000000 0.5313886 0.5224651), wk = 0.0025000 k( 82) = ( 0.0000000 0.5313886 0.5425599), wk = 0.0025000 k( 83) = ( 0.0000000 0.5313886 0.5626547), wk = 0.0025000 k( 84) = ( 0.0000000 0.5313886 0.5827495), wk = 0.0025000 k( 85) = ( 0.0000000 0.5313886 0.6028443), wk = 0.0025000 k( 86) = ( 0.0000000 0.5313886 0.6229391), wk = 0.0025000 k( 87) = ( 0.0000000 0.5313886 0.6430339), wk = 0.0025000 k( 88) = ( 0.0000000 0.5313886 0.6631287), wk = 0.0025000 k( 89) = ( 0.0000000 0.5313886 0.6832235), wk = 0.0025000 k( 90) = ( 0.0000000 0.5313886 0.7033183), wk = 0.0025000 k( 91) = ( 0.0000000 0.5313886 0.7234131), wk = 0.0025000 k( 92) = ( 0.0000000 0.5313886 0.7435080), wk = 0.0025000 k( 93) = ( 0.0000000 0.5313886 0.7636028), wk = 0.0025000 k( 94) = ( 0.0000000 0.5313886 0.7836976), wk = 0.0025000 k( 95) = ( 0.0000000 0.5313886 0.8037924), wk = 0.0025000 k( 96) = ( 0.0000000 0.5313886 0.8238872), wk = 0.0025000 k( 97) = ( 0.0000000 0.5313886 0.8439820), wk = 0.0025000 k( 98) = ( 0.0000000 0.5313886 0.8640768), wk = 0.0025000 k( 99) = ( 0.0000000 0.5313886 0.8841716), wk = 0.0025000 k( 100) = ( 0.0000000 0.5313886 0.9042664), wk = 0.0025000 k( 101) = ( 0.0000000 0.5313886 0.9243612), wk = 0.0025000 k( 102) = ( 0.0000000 0.5313886 0.9444561), wk = 0.0025000 k( 103) = ( 0.0000000 0.5313886 0.9645509), wk = 0.0025000 k( 104) = ( 0.0000000 0.5313886 0.9846457), wk = 0.0025000 k( 105) = ( 0.0000000 0.5313886 1.0047405), wk = 0.0025000 k( 106) = ( 0.0000000 0.5313886 1.0047405), wk = 0.0025000 k( 107) = ( 0.0196592 0.5313886 1.0047405), wk = 0.0025000 k( 108) = ( 0.0393184 0.5313886 1.0047405), wk = 0.0025000 k( 109) = ( 0.0589776 0.5313886 1.0047405), wk = 0.0025000 k( 110) = ( 0.0786368 0.5313886 1.0047405), wk = 0.0025000 k( 111) = ( 0.0982960 0.5313886 1.0047405), wk = 0.0025000 k( 112) = ( 0.1179552 0.5313886 1.0047405), wk = 0.0025000 k( 113) = ( 0.1376145 0.5313886 1.0047405), wk = 0.0025000 k( 114) = ( 0.1572737 0.5313886 1.0047405), wk = 0.0025000 k( 115) = ( 0.1769329 0.5313886 1.0047405), wk = 0.0025000 k( 116) = ( 0.1965921 0.5313886 1.0047405), wk = 0.0025000 k( 117) = ( 0.2162513 0.5313886 1.0047405), wk = 0.0025000 k( 118) = ( 0.2359105 0.5313886 1.0047405), wk = 0.0025000 k( 119) = ( 0.2555697 0.5313886 1.0047405), wk = 0.0025000 k( 120) = ( 0.2752289 0.5313886 1.0047405), wk = 0.0025000 k( 121) = ( 0.2948881 0.5313886 1.0047405), wk = 0.0025000 k( 122) = ( 0.3145474 0.5313886 1.0047405), wk = 0.0025000 k( 123) = ( 0.3342065 0.5313886 1.0047405), wk = 0.0025000 k( 124) = ( 0.3538658 0.5313886 1.0047405), wk = 0.0025000 k( 125) = ( 0.3735250 0.5313886 1.0047405), wk = 0.0025000 k( 126) = ( 0.3735250 0.5313886 1.0047405), wk = 0.0025000 k( 127) = ( 0.3622060 0.5152859 1.0047405), wk = 0.0025000 k( 128) = ( 0.3508871 0.4991833 1.0047405), wk = 0.0025000 k( 129) = ( 0.3395682 0.4830806 1.0047405), wk = 0.0025000 k( 130) = ( 0.3282492 0.4669779 1.0047405), wk = 0.0025000 k( 131) = ( 0.3169303 0.4508752 1.0047405), wk = 0.0025000 k( 132) = ( 0.3056113 0.4347725 1.0047405), wk = 0.0025000 k( 133) = ( 0.2942924 0.4186698 1.0047405), wk = 0.0025000 k( 134) = ( 0.2829735 0.4025671 1.0047405), wk = 0.0025000 k( 135) = ( 0.2716545 0.3864645 1.0047405), wk = 0.0025000 k( 136) = ( 0.2603356 0.3703618 1.0047405), wk = 0.0025000 k( 137) = ( 0.2490167 0.3542591 1.0047405), wk = 0.0025000 k( 138) = ( 0.2376977 0.3381564 1.0047405), wk = 0.0025000 k( 139) = ( 0.2263788 0.3220537 1.0047405), wk = 0.0025000 k( 140) = ( 0.2150598 0.3059510 1.0047405), wk = 0.0025000 k( 141) = ( 0.2037409 0.2898483 1.0047405), wk = 0.0025000 k( 142) = ( 0.1924220 0.2737457 1.0047405), wk = 0.0025000 k( 143) = ( 0.1811030 0.2576430 1.0047405), wk = 0.0025000 k( 144) = ( 0.1697841 0.2415403 1.0047405), wk = 0.0025000 k( 145) = ( 0.1584651 0.2254376 1.0047405), wk = 0.0025000 k( 146) = ( 0.1471462 0.2093349 1.0047405), wk = 0.0025000 k( 147) = ( 0.1358273 0.1932322 1.0047405), wk = 0.0025000 k( 148) = ( 0.1245083 0.1771295 1.0047405), wk = 0.0025000 k( 149) = ( 0.1131894 0.1610269 1.0047405), wk = 0.0025000 k( 150) = ( 0.1018705 0.1449242 1.0047405), wk = 0.0025000 k( 151) = ( 0.0905515 0.1288215 1.0047405), wk = 0.0025000 k( 152) = ( 0.0792326 0.1127188 1.0047405), wk = 0.0025000 k( 153) = ( 0.0679136 0.0966161 1.0047405), wk = 0.0025000 k( 154) = ( 0.0565947 0.0805134 1.0047405), wk = 0.0025000 k( 155) = ( 0.0452757 0.0644107 1.0047405), wk = 0.0025000 k( 156) = ( 0.0339568 0.0483081 1.0047405), wk = 0.0025000 k( 157) = ( 0.0226379 0.0322054 1.0047405), wk = 0.0025000 k( 158) = ( 0.0113189 0.0161027 1.0047405), wk = 0.0025000 k( 159) = ( 0.0000000 0.0000000 1.0047405), wk = 0.0025000 k( 160) = ( 0.0000000 0.0000000 1.0047405), wk = 0.0025000 k( 161) = ( 0.0000000 0.0000000 0.9846457), wk = 0.0025000 k( 162) = ( 0.0000000 0.0000000 0.9645509), wk = 0.0025000 k( 163) = ( 0.0000000 0.0000000 0.9444561), wk = 0.0025000 k( 164) = ( 0.0000000 0.0000000 0.9243612), wk = 0.0025000 k( 165) = ( 0.0000000 0.0000000 0.9042664), wk = 0.0025000 k( 166) = ( 0.0000000 0.0000000 0.8841716), wk = 0.0025000 k( 167) = ( 0.0000000 0.0000000 0.8640768), wk = 0.0025000 k( 168) = ( 0.0000000 0.0000000 0.8439820), wk = 0.0025000 k( 169) = ( 0.0000000 0.0000000 0.8238872), wk = 0.0025000 k( 170) = ( 0.0000000 0.0000000 0.8037924), wk = 0.0025000 k( 171) = ( 0.0000000 0.0000000 0.7836976), wk = 0.0025000 k( 172) = ( 0.0000000 0.0000000 0.7636028), wk = 0.0025000 k( 173) = ( 0.0000000 0.0000000 0.7435080), wk = 0.0025000 k( 174) = ( 0.0000000 0.0000000 0.7234131), wk = 0.0025000 k( 175) = ( 0.0000000 0.0000000 0.7033183), wk = 0.0025000 k( 176) = ( 0.0000000 0.0000000 0.6832235), wk = 0.0025000 k( 177) = ( 0.0000000 0.0000000 0.6631287), wk = 0.0025000 k( 178) = ( 0.0000000 0.0000000 0.6430339), wk = 0.0025000 k( 179) = ( 0.0000000 0.0000000 0.6229391), wk = 0.0025000 k( 180) = ( 0.0000000 0.0000000 0.6028443), wk = 0.0025000 k( 181) = ( 0.0000000 0.0000000 0.5827495), wk = 0.0025000 k( 182) = ( 0.0000000 0.0000000 0.5626547), wk = 0.0025000 k( 183) = ( 0.0000000 0.0000000 0.5425599), wk = 0.0025000 k( 184) = ( 0.0000000 0.0000000 0.5224651), wk = 0.0025000 k( 185) = ( 0.0000000 0.0000000 0.5023702), wk = 0.0025000 k( 186) = ( 0.0000000 0.0000000 0.4822754), wk = 0.0025000 k( 187) = ( 0.0000000 0.0000000 0.4621806), wk = 0.0025000 k( 188) = ( 0.0000000 0.0000000 0.4420858), wk = 0.0025000 k( 189) = ( 0.0000000 0.0000000 0.4219910), wk = 0.0025000 k( 190) = ( 0.0000000 0.0000000 0.4018962), wk = 0.0025000 k( 191) = ( 0.0000000 0.0000000 0.3818014), wk = 0.0025000 k( 192) = ( 0.0000000 0.0000000 0.3617066), wk = 0.0025000 k( 193) = ( 0.0000000 0.0000000 0.3416118), wk = 0.0025000 k( 194) = ( 0.0000000 0.0000000 0.3215170), wk = 0.0025000 k( 195) = ( 0.0000000 0.0000000 0.3014221), wk = 0.0025000 k( 196) = ( 0.0000000 0.0000000 0.2813273), wk = 0.0025000 k( 197) = ( 0.0000000 0.0000000 0.2612325), wk = 0.0025000 k( 198) = ( 0.0000000 0.0000000 0.2411377), wk = 0.0025000 k( 199) = ( 0.0000000 0.0000000 0.2210429), wk = 0.0025000 k( 200) = ( 0.0000000 0.0000000 0.2009481), wk = 0.0025000 k( 201) = ( 0.0000000 0.0000000 0.1808533), wk = 0.0025000 k( 202) = ( 0.0000000 0.0000000 0.1607585), wk = 0.0025000 k( 203) = ( 0.0000000 0.0000000 0.1406637), wk = 0.0025000 k( 204) = ( 0.0000000 0.0000000 0.1205689), wk = 0.0025000 k( 205) = ( 0.0000000 0.0000000 0.1004740), wk = 0.0025000 k( 206) = ( 0.0000000 0.0000000 0.0803792), wk = 0.0025000 k( 207) = ( 0.0000000 0.0000000 0.0602844), wk = 0.0025000 k( 208) = ( 0.0000000 0.0000000 0.0401896), wk = 0.0025000 k( 209) = ( 0.0000000 0.0000000 0.0200948), wk = 0.0025000 k( 210) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 211) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 212) = ( -0.0161290 0.0113375 0.0000000), wk = 0.0025000 k( 213) = ( -0.0322581 0.0226749 0.0000000), wk = 0.0025000 k( 214) = ( -0.0483871 0.0340124 0.0000000), wk = 0.0025000 k( 215) = ( -0.0645161 0.0453498 0.0000000), wk = 0.0025000 k( 216) = ( -0.0806452 0.0566873 0.0000000), wk = 0.0025000 k( 217) = ( -0.0967742 0.0680247 0.0000000), wk = 0.0025000 k( 218) = ( -0.1129032 0.0793622 0.0000000), wk = 0.0025000 k( 219) = ( -0.1290323 0.0906997 0.0000000), wk = 0.0025000 k( 220) = ( -0.1451613 0.1020371 0.0000000), wk = 0.0025000 k( 221) = ( -0.1612903 0.1133746 0.0000000), wk = 0.0025000 k( 222) = ( -0.1774194 0.1247120 0.0000000), wk = 0.0025000 k( 223) = ( -0.1935484 0.1360495 0.0000000), wk = 0.0025000 k( 224) = ( -0.2096774 0.1473870 0.0000000), wk = 0.0025000 k( 225) = ( -0.2258064 0.1587244 0.0000000), wk = 0.0025000 k( 226) = ( -0.2419355 0.1700619 0.0000000), wk = 0.0025000 k( 227) = ( -0.2580645 0.1813993 0.0000000), wk = 0.0025000 k( 228) = ( -0.2741936 0.1927368 0.0000000), wk = 0.0025000 k( 229) = ( -0.2903226 0.2040742 0.0000000), wk = 0.0025000 k( 230) = ( -0.3064516 0.2154117 0.0000000), wk = 0.0025000 k( 231) = ( -0.3225807 0.2267492 0.0000000), wk = 0.0025000 k( 232) = ( -0.3387097 0.2380866 0.0000000), wk = 0.0025000 k( 233) = ( -0.3548387 0.2494241 0.0000000), wk = 0.0025000 k( 234) = ( -0.3709677 0.2607615 0.0000000), wk = 0.0025000 k( 235) = ( -0.3870968 0.2720990 0.0000000), wk = 0.0025000 k( 236) = ( -0.4032258 0.2834365 0.0000000), wk = 0.0025000 k( 237) = ( -0.4193548 0.2947739 0.0000000), wk = 0.0025000 k( 238) = ( -0.4354839 0.3061114 0.0000000), wk = 0.0025000 k( 239) = ( -0.4516129 0.3174488 0.0000000), wk = 0.0025000 k( 240) = ( -0.4677419 0.3287863 0.0000000), wk = 0.0025000 k( 241) = ( -0.4838710 0.3401237 0.0000000), wk = 0.0025000 k( 242) = ( -0.5000000 0.3514612 0.0000000), wk = 0.0025000 k( 243) = ( -0.5000000 0.3514612 0.0000000), wk = 0.0025000 k( 244) = ( -0.4885023 0.3678182 -0.0000000), wk = 0.0025000 k( 245) = ( -0.4770045 0.3841753 -0.0000000), wk = 0.0025000 k( 246) = ( -0.4655068 0.4005323 -0.0000000), wk = 0.0025000 k( 247) = ( -0.4540091 0.4168894 -0.0000000), wk = 0.0025000 k( 248) = ( -0.4425114 0.4332464 -0.0000000), wk = 0.0025000 k( 249) = ( -0.4310136 0.4496034 -0.0000000), wk = 0.0025000 k( 250) = ( -0.4195159 0.4659605 -0.0000000), wk = 0.0025000 k( 251) = ( -0.4080182 0.4823175 -0.0000000), wk = 0.0025000 k( 252) = ( -0.3965204 0.4986746 -0.0000000), wk = 0.0025000 k( 253) = ( -0.3850227 0.5150316 -0.0000000), wk = 0.0025000 k( 254) = ( -0.3735250 0.5313886 -0.0000000), wk = 0.0025000 k( 255) = ( -0.3735250 0.5313886 -0.0000000), wk = 0.0025000 k( 256) = ( -0.3735250 0.5313886 0.0200948), wk = 0.0025000 k( 257) = ( -0.3735250 0.5313886 0.0401896), wk = 0.0025000 k( 258) = ( -0.3735250 0.5313886 0.0602844), wk = 0.0025000 k( 259) = ( -0.3735250 0.5313886 0.0803792), wk = 0.0025000 k( 260) = ( -0.3735250 0.5313886 0.1004740), wk = 0.0025000 k( 261) = ( -0.3735250 0.5313886 0.1205689), wk = 0.0025000 k( 262) = ( -0.3735250 0.5313886 0.1406637), wk = 0.0025000 k( 263) = ( -0.3735250 0.5313886 0.1607585), wk = 0.0025000 k( 264) = ( -0.3735250 0.5313886 0.1808533), wk = 0.0025000 k( 265) = ( -0.3735250 0.5313886 0.2009481), wk = 0.0025000 k( 266) = ( -0.3735250 0.5313886 0.2210429), wk = 0.0025000 k( 267) = ( -0.3735250 0.5313886 0.2411377), wk = 0.0025000 k( 268) = ( -0.3735250 0.5313886 0.2612325), wk = 0.0025000 k( 269) = ( -0.3735250 0.5313886 0.2813273), wk = 0.0025000 k( 270) = ( -0.3735250 0.5313886 0.3014221), wk = 0.0025000 k( 271) = ( -0.3735250 0.5313886 0.3215170), wk = 0.0025000 k( 272) = ( -0.3735250 0.5313886 0.3416118), wk = 0.0025000 k( 273) = ( -0.3735250 0.5313886 0.3617066), wk = 0.0025000 k( 274) = ( -0.3735250 0.5313886 0.3818014), wk = 0.0025000 k( 275) = ( -0.3735250 0.5313886 0.4018962), wk = 0.0025000 k( 276) = ( -0.3735250 0.5313886 0.4219910), wk = 0.0025000 k( 277) = ( -0.3735250 0.5313886 0.4420858), wk = 0.0025000 k( 278) = ( -0.3735250 0.5313886 0.4621806), wk = 0.0025000 k( 279) = ( -0.3735250 0.5313886 0.4822754), wk = 0.0025000 k( 280) = ( -0.3735250 0.5313886 0.5023702), wk = 0.0025000 k( 281) = ( -0.3735250 0.5313886 0.5224651), wk = 0.0025000 k( 282) = ( -0.3735250 0.5313886 0.5425599), wk = 0.0025000 k( 283) = ( -0.3735250 0.5313886 0.5626547), wk = 0.0025000 k( 284) = ( -0.3735250 0.5313886 0.5827495), wk = 0.0025000 k( 285) = ( -0.3735250 0.5313886 0.6028443), wk = 0.0025000 k( 286) = ( -0.3735250 0.5313886 0.6229391), wk = 0.0025000 k( 287) = ( -0.3735250 0.5313886 0.6430339), wk = 0.0025000 k( 288) = ( -0.3735250 0.5313886 0.6631287), wk = 0.0025000 k( 289) = ( -0.3735250 0.5313886 0.6832235), wk = 0.0025000 k( 290) = ( -0.3735250 0.5313886 0.7033183), wk = 0.0025000 k( 291) = ( -0.3735250 0.5313886 0.7234131), wk = 0.0025000 k( 292) = ( -0.3735250 0.5313886 0.7435080), wk = 0.0025000 k( 293) = ( -0.3735250 0.5313886 0.7636028), wk = 0.0025000 k( 294) = ( -0.3735250 0.5313886 0.7836976), wk = 0.0025000 k( 295) = ( -0.3735250 0.5313886 0.8037924), wk = 0.0025000 k( 296) = ( -0.3735250 0.5313886 0.8238872), wk = 0.0025000 k( 297) = ( -0.3735250 0.5313886 0.8439820), wk = 0.0025000 k( 298) = ( -0.3735250 0.5313886 0.8640768), wk = 0.0025000 k( 299) = ( -0.3735250 0.5313886 0.8841716), wk = 0.0025000 k( 300) = ( -0.3735250 0.5313886 0.9042664), wk = 0.0025000 k( 301) = ( -0.3735250 0.5313886 0.9243612), wk = 0.0025000 k( 302) = ( -0.3735250 0.5313886 0.9444561), wk = 0.0025000 k( 303) = ( -0.3735250 0.5313886 0.9645509), wk = 0.0025000 k( 304) = ( -0.3735250 0.5313886 0.9846457), wk = 0.0025000 k( 305) = ( -0.3735250 0.5313886 1.0047405), wk = 0.0025000 k( 306) = ( -0.3735250 0.5313886 1.0047405), wk = 0.0025000 k( 307) = ( -0.3850227 0.5150316 1.0047405), wk = 0.0025000 k( 308) = ( -0.3965204 0.4986746 1.0047405), wk = 0.0025000 k( 309) = ( -0.4080182 0.4823175 1.0047405), wk = 0.0025000 k( 310) = ( -0.4195159 0.4659605 1.0047405), wk = 0.0025000 k( 311) = ( -0.4310136 0.4496034 1.0047405), wk = 0.0025000 k( 312) = ( -0.4425114 0.4332464 1.0047405), wk = 0.0025000 k( 313) = ( -0.4540091 0.4168894 1.0047405), wk = 0.0025000 k( 314) = ( -0.4655068 0.4005323 1.0047405), wk = 0.0025000 k( 315) = ( -0.4770045 0.3841753 1.0047405), wk = 0.0025000 k( 316) = ( -0.4885023 0.3678182 1.0047405), wk = 0.0025000 k( 317) = ( -0.5000000 0.3514612 1.0047405), wk = 0.0025000 k( 318) = ( -0.5000000 0.3514612 1.0047405), wk = 0.0025000 k( 319) = ( -0.5000000 0.3514612 0.9846457), wk = 0.0025000 k( 320) = ( -0.5000000 0.3514612 0.9645509), wk = 0.0025000 k( 321) = ( -0.5000000 0.3514612 0.9444561), wk = 0.0025000 k( 322) = ( -0.5000000 0.3514612 0.9243612), wk = 0.0025000 k( 323) = ( -0.5000000 0.3514612 0.9042664), wk = 0.0025000 k( 324) = ( -0.5000000 0.3514612 0.8841716), wk = 0.0025000 k( 325) = ( -0.5000000 0.3514612 0.8640768), wk = 0.0025000 k( 326) = ( -0.5000000 0.3514612 0.8439820), wk = 0.0025000 k( 327) = ( -0.5000000 0.3514612 0.8238872), wk = 0.0025000 k( 328) = ( -0.5000000 0.3514612 0.8037924), wk = 0.0025000 k( 329) = ( -0.5000000 0.3514612 0.7836976), wk = 0.0025000 k( 330) = ( -0.5000000 0.3514612 0.7636028), wk = 0.0025000 k( 331) = ( -0.5000000 0.3514612 0.7435080), wk = 0.0025000 k( 332) = ( -0.5000000 0.3514612 0.7234131), wk = 0.0025000 k( 333) = ( -0.5000000 0.3514612 0.7033183), wk = 0.0025000 k( 334) = ( -0.5000000 0.3514612 0.6832235), wk = 0.0025000 k( 335) = ( -0.5000000 0.3514612 0.6631287), wk = 0.0025000 k( 336) = ( -0.5000000 0.3514612 0.6430339), wk = 0.0025000 k( 337) = ( -0.5000000 0.3514612 0.6229391), wk = 0.0025000 k( 338) = ( -0.5000000 0.3514612 0.6028443), wk = 0.0025000 k( 339) = ( -0.5000000 0.3514612 0.5827495), wk = 0.0025000 k( 340) = ( -0.5000000 0.3514612 0.5626547), wk = 0.0025000 k( 341) = ( -0.5000000 0.3514612 0.5425599), wk = 0.0025000 k( 342) = ( -0.5000000 0.3514612 0.5224651), wk = 0.0025000 k( 343) = ( -0.5000000 0.3514612 0.5023702), wk = 0.0025000 k( 344) = ( -0.5000000 0.3514612 0.4822754), wk = 0.0025000 k( 345) = ( -0.5000000 0.3514612 0.4621806), wk = 0.0025000 k( 346) = ( -0.5000000 0.3514612 0.4420858), wk = 0.0025000 k( 347) = ( -0.5000000 0.3514612 0.4219910), wk = 0.0025000 k( 348) = ( -0.5000000 0.3514612 0.4018962), wk = 0.0025000 k( 349) = ( -0.5000000 0.3514612 0.3818014), wk = 0.0025000 k( 350) = ( -0.5000000 0.3514612 0.3617066), wk = 0.0025000 k( 351) = ( -0.5000000 0.3514612 0.3416118), wk = 0.0025000 k( 352) = ( -0.5000000 0.3514612 0.3215170), wk = 0.0025000 k( 353) = ( -0.5000000 0.3514612 0.3014221), wk = 0.0025000 k( 354) = ( -0.5000000 0.3514612 0.2813273), wk = 0.0025000 k( 355) = ( -0.5000000 0.3514612 0.2612325), wk = 0.0025000 k( 356) = ( -0.5000000 0.3514612 0.2411377), wk = 0.0025000 k( 357) = ( -0.5000000 0.3514612 0.2210429), wk = 0.0025000 k( 358) = ( -0.5000000 0.3514612 0.2009481), wk = 0.0025000 k( 359) = ( -0.5000000 0.3514612 0.1808533), wk = 0.0025000 k( 360) = ( -0.5000000 0.3514612 0.1607585), wk = 0.0025000 k( 361) = ( -0.5000000 0.3514612 0.1406637), wk = 0.0025000 k( 362) = ( -0.5000000 0.3514612 0.1205689), wk = 0.0025000 k( 363) = ( -0.5000000 0.3514612 0.1004740), wk = 0.0025000 k( 364) = ( -0.5000000 0.3514612 0.0803792), wk = 0.0025000 k( 365) = ( -0.5000000 0.3514612 0.0602844), wk = 0.0025000 k( 366) = ( -0.5000000 0.3514612 0.0401896), wk = 0.0025000 k( 367) = ( -0.5000000 0.3514612 0.0200948), wk = 0.0025000 k( 368) = ( -0.5000000 0.3514612 0.0000000), wk = 0.0025000 k( 369) = ( 0.0000000 0.0000000 1.0047405), wk = 0.0025000 k( 370) = ( -0.0161290 0.0113375 1.0047405), wk = 0.0025000 k( 371) = ( -0.0322581 0.0226749 1.0047405), wk = 0.0025000 k( 372) = ( -0.0483871 0.0340124 1.0047405), wk = 0.0025000 k( 373) = ( -0.0645161 0.0453498 1.0047405), wk = 0.0025000 k( 374) = ( -0.0806452 0.0566873 1.0047405), wk = 0.0025000 k( 375) = ( -0.0967742 0.0680247 1.0047405), wk = 0.0025000 k( 376) = ( -0.1129032 0.0793622 1.0047405), wk = 0.0025000 k( 377) = ( -0.1290323 0.0906997 1.0047405), wk = 0.0025000 k( 378) = ( -0.1451613 0.1020371 1.0047405), wk = 0.0025000 k( 379) = ( -0.1612903 0.1133746 1.0047405), wk = 0.0025000 k( 380) = ( -0.1774194 0.1247120 1.0047405), wk = 0.0025000 k( 381) = ( -0.1935484 0.1360495 1.0047405), wk = 0.0025000 k( 382) = ( -0.2096774 0.1473870 1.0047405), wk = 0.0025000 k( 383) = ( -0.2258064 0.1587244 1.0047405), wk = 0.0025000 k( 384) = ( -0.2419355 0.1700619 1.0047405), wk = 0.0025000 k( 385) = ( -0.2580645 0.1813993 1.0047405), wk = 0.0025000 k( 386) = ( -0.2741936 0.1927368 1.0047405), wk = 0.0025000 k( 387) = ( -0.2903226 0.2040742 1.0047405), wk = 0.0025000 k( 388) = ( -0.3064516 0.2154117 1.0047405), wk = 0.0025000 k( 389) = ( -0.3225807 0.2267492 1.0047405), wk = 0.0025000 k( 390) = ( -0.3387097 0.2380866 1.0047405), wk = 0.0025000 k( 391) = ( -0.3548387 0.2494241 1.0047405), wk = 0.0025000 k( 392) = ( -0.3709677 0.2607615 1.0047405), wk = 0.0025000 k( 393) = ( -0.3870968 0.2720990 1.0047405), wk = 0.0025000 k( 394) = ( -0.4032258 0.2834365 1.0047405), wk = 0.0025000 k( 395) = ( -0.4193548 0.2947739 1.0047405), wk = 0.0025000 k( 396) = ( -0.4354839 0.3061114 1.0047405), wk = 0.0025000 k( 397) = ( -0.4516129 0.3174488 1.0047405), wk = 0.0025000 k( 398) = ( -0.4677419 0.3287863 1.0047405), wk = 0.0025000 k( 399) = ( -0.4838710 0.3401237 1.0047405), wk = 0.0025000 k( 400) = ( -0.5000000 0.3514612 1.0047405), wk = 0.0025000 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 2) = ( 0.0113189 0.0113189 -0.0000000), wk = 0.0025000 k( 3) = ( 0.0226379 0.0226379 -0.0000000), wk = 0.0025000 k( 4) = ( 0.0339568 0.0339568 -0.0000000), wk = 0.0025000 k( 5) = ( 0.0452757 0.0452757 -0.0000000), wk = 0.0025000 k( 6) = ( 0.0565947 0.0565947 -0.0000000), wk = 0.0025000 k( 7) = ( 0.0679136 0.0679136 -0.0000000), wk = 0.0025000 k( 8) = ( 0.0792326 0.0792326 -0.0000000), wk = 0.0025000 k( 9) = ( 0.0905515 0.0905515 -0.0000000), wk = 0.0025000 k( 10) = ( 0.1018705 0.1018704 0.0000000), wk = 0.0025000 k( 11) = ( 0.1131894 0.1131894 -0.0000000), wk = 0.0025000 k( 12) = ( 0.1245083 0.1245083 0.0000000), wk = 0.0025000 k( 13) = ( 0.1358273 0.1358273 -0.0000000), wk = 0.0025000 k( 14) = ( 0.1471462 0.1471462 -0.0000000), wk = 0.0025000 k( 15) = ( 0.1584651 0.1584651 -0.0000000), wk = 0.0025000 k( 16) = ( 0.1697841 0.1697841 0.0000000), wk = 0.0025000 k( 17) = ( 0.1811030 0.1811030 -0.0000000), wk = 0.0025000 k( 18) = ( 0.1924220 0.1924220 -0.0000000), wk = 0.0025000 k( 19) = ( 0.2037409 0.2037409 -0.0000000), wk = 0.0025000 k( 20) = ( 0.2150598 0.2150598 -0.0000000), wk = 0.0025000 k( 21) = ( 0.2263788 0.2263788 0.0000000), wk = 0.0025000 k( 22) = ( 0.2376977 0.2376977 -0.0000000), wk = 0.0025000 k( 23) = ( 0.2490167 0.2490166 -0.0000000), wk = 0.0025000 k( 24) = ( 0.2603356 0.2603356 0.0000000), wk = 0.0025000 k( 25) = ( 0.2716545 0.2716545 -0.0000000), wk = 0.0025000 k( 26) = ( 0.2829735 0.2829735 -0.0000000), wk = 0.0025000 k( 27) = ( 0.2942924 0.2942924 -0.0000000), wk = 0.0025000 k( 28) = ( 0.3056113 0.3056113 -0.0000000), wk = 0.0025000 k( 29) = ( 0.3169303 0.3169303 -0.0000000), wk = 0.0025000 k( 30) = ( 0.3282492 0.3282492 -0.0000000), wk = 0.0025000 k( 31) = ( 0.3395682 0.3395682 0.0000000), wk = 0.0025000 k( 32) = ( 0.3508871 0.3508871 -0.0000000), wk = 0.0025000 k( 33) = ( 0.3622060 0.3622060 0.0000000), wk = 0.0025000 k( 34) = ( 0.3735250 0.3735250 0.0000000), wk = 0.0025000 k( 35) = ( 0.3735250 0.3735250 0.0000000), wk = 0.0025000 k( 36) = ( 0.3538658 0.3801815 -0.0000000), wk = 0.0025000 k( 37) = ( 0.3342065 0.3868381 -0.0000000), wk = 0.0025000 k( 38) = ( 0.3145474 0.3934947 0.0000000), wk = 0.0025000 k( 39) = ( 0.2948881 0.4001513 -0.0000000), wk = 0.0025000 k( 40) = ( 0.2752289 0.4068079 -0.0000000), wk = 0.0025000 k( 41) = ( 0.2555697 0.4134644 -0.0000000), wk = 0.0025000 k( 42) = ( 0.2359105 0.4201210 -0.0000000), wk = 0.0025000 k( 43) = ( 0.2162513 0.4267776 -0.0000000), wk = 0.0025000 k( 44) = ( 0.1965921 0.4334342 -0.0000000), wk = 0.0025000 k( 45) = ( 0.1769329 0.4400908 -0.0000000), wk = 0.0025000 k( 46) = ( 0.1572737 0.4467474 0.0000000), wk = 0.0025000 k( 47) = ( 0.1376145 0.4534039 -0.0000000), wk = 0.0025000 k( 48) = ( 0.1179552 0.4600605 -0.0000000), wk = 0.0025000 k( 49) = ( 0.0982960 0.4667171 0.0000000), wk = 0.0025000 k( 50) = ( 0.0786368 0.4733737 -0.0000000), wk = 0.0025000 k( 51) = ( 0.0589776 0.4800303 0.0000000), wk = 0.0025000 k( 52) = ( 0.0393184 0.4866868 -0.0000000), wk = 0.0025000 k( 53) = ( 0.0196592 0.4933434 -0.0000000), wk = 0.0025000 k( 54) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025000 k( 55) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0025000 k( 56) = ( 0.0000000 0.5000000 0.0100000), wk = 0.0025000 k( 57) = ( 0.0000000 0.5000000 0.0200000), wk = 0.0025000 k( 58) = ( 0.0000000 0.5000000 0.0300000), wk = 0.0025000 k( 59) = ( 0.0000000 0.5000000 0.0400000), wk = 0.0025000 k( 60) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0025000 k( 61) = ( 0.0000000 0.5000000 0.0600000), wk = 0.0025000 k( 62) = ( 0.0000000 0.5000000 0.0700000), wk = 0.0025000 k( 63) = ( 0.0000000 0.5000000 0.0800000), wk = 0.0025000 k( 64) = ( 0.0000000 0.5000000 0.0900000), wk = 0.0025000 k( 65) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0025000 k( 66) = ( 0.0000000 0.5000000 0.1100000), wk = 0.0025000 k( 67) = ( 0.0000000 0.5000000 0.1200000), wk = 0.0025000 k( 68) = ( 0.0000000 0.5000000 0.1300000), wk = 0.0025000 k( 69) = ( 0.0000000 0.5000000 0.1400000), wk = 0.0025000 k( 70) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0025000 k( 71) = ( 0.0000000 0.5000000 0.1600000), wk = 0.0025000 k( 72) = ( 0.0000000 0.5000000 0.1700000), wk = 0.0025000 k( 73) = ( 0.0000000 0.5000000 0.1800000), wk = 0.0025000 k( 74) = ( 0.0000000 0.5000000 0.1900000), wk = 0.0025000 k( 75) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0025000 k( 76) = ( 0.0000000 0.5000000 0.2100000), wk = 0.0025000 k( 77) = ( 0.0000000 0.5000000 0.2200000), wk = 0.0025000 k( 78) = ( 0.0000000 0.5000000 0.2300000), wk = 0.0025000 k( 79) = ( 0.0000000 0.5000000 0.2400000), wk = 0.0025000 k( 80) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0025000 k( 81) = ( 0.0000000 0.5000000 0.2600000), wk = 0.0025000 k( 82) = ( 0.0000000 0.5000000 0.2700000), wk = 0.0025000 k( 83) = ( 0.0000000 0.5000000 0.2800000), wk = 0.0025000 k( 84) = ( 0.0000000 0.5000000 0.2900000), wk = 0.0025000 k( 85) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0025000 k( 86) = ( 0.0000000 0.5000000 0.3100000), wk = 0.0025000 k( 87) = ( 0.0000000 0.5000000 0.3200000), wk = 0.0025000 k( 88) = ( 0.0000000 0.5000000 0.3300000), wk = 0.0025000 k( 89) = ( 0.0000000 0.5000000 0.3400000), wk = 0.0025000 k( 90) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0025000 k( 91) = ( 0.0000000 0.5000000 0.3600000), wk = 0.0025000 k( 92) = ( 0.0000000 0.5000000 0.3700000), wk = 0.0025000 k( 93) = ( 0.0000000 0.5000000 0.3800000), wk = 0.0025000 k( 94) = ( 0.0000000 0.5000000 0.3900000), wk = 0.0025000 k( 95) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0025000 k( 96) = ( 0.0000000 0.5000000 0.4100000), wk = 0.0025000 k( 97) = ( 0.0000000 0.5000000 0.4200000), wk = 0.0025000 k( 98) = ( 0.0000000 0.5000000 0.4300000), wk = 0.0025000 k( 99) = ( 0.0000000 0.5000000 0.4400000), wk = 0.0025000 k( 100) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0025000 k( 101) = ( 0.0000000 0.5000000 0.4600000), wk = 0.0025000 k( 102) = ( 0.0000000 0.5000000 0.4700000), wk = 0.0025000 k( 103) = ( 0.0000000 0.5000000 0.4800000), wk = 0.0025000 k( 104) = ( 0.0000000 0.5000000 0.4900000), wk = 0.0025000 k( 105) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025000 k( 106) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025000 k( 107) = ( 0.0196592 0.4933434 0.5000000), wk = 0.0025000 k( 108) = ( 0.0393184 0.4866868 0.5000000), wk = 0.0025000 k( 109) = ( 0.0589776 0.4800303 0.5000000), wk = 0.0025000 k( 110) = ( 0.0786368 0.4733737 0.5000000), wk = 0.0025000 k( 111) = ( 0.0982960 0.4667171 0.5000000), wk = 0.0025000 k( 112) = ( 0.1179552 0.4600605 0.5000000), wk = 0.0025000 k( 113) = ( 0.1376145 0.4534039 0.5000000), wk = 0.0025000 k( 114) = ( 0.1572737 0.4467474 0.5000000), wk = 0.0025000 k( 115) = ( 0.1769329 0.4400908 0.5000000), wk = 0.0025000 k( 116) = ( 0.1965921 0.4334342 0.5000000), wk = 0.0025000 k( 117) = ( 0.2162513 0.4267776 0.5000000), wk = 0.0025000 k( 118) = ( 0.2359105 0.4201210 0.5000000), wk = 0.0025000 k( 119) = ( 0.2555697 0.4134644 0.5000000), wk = 0.0025000 k( 120) = ( 0.2752289 0.4068079 0.5000000), wk = 0.0025000 k( 121) = ( 0.2948881 0.4001513 0.5000000), wk = 0.0025000 k( 122) = ( 0.3145474 0.3934947 0.5000000), wk = 0.0025000 k( 123) = ( 0.3342065 0.3868381 0.5000000), wk = 0.0025000 k( 124) = ( 0.3538658 0.3801815 0.5000000), wk = 0.0025000 k( 125) = ( 0.3735250 0.3735250 0.5000000), wk = 0.0025000 k( 126) = ( 0.3735250 0.3735250 0.5000000), wk = 0.0025000 k( 127) = ( 0.3622060 0.3622060 0.5000000), wk = 0.0025000 k( 128) = ( 0.3508871 0.3508871 0.5000000), wk = 0.0025000 k( 129) = ( 0.3395682 0.3395682 0.5000000), wk = 0.0025000 k( 130) = ( 0.3282492 0.3282492 0.5000000), wk = 0.0025000 k( 131) = ( 0.3169303 0.3169303 0.5000000), wk = 0.0025000 k( 132) = ( 0.3056113 0.3056113 0.5000000), wk = 0.0025000 k( 133) = ( 0.2942924 0.2942924 0.5000000), wk = 0.0025000 k( 134) = ( 0.2829735 0.2829735 0.5000000), wk = 0.0025000 k( 135) = ( 0.2716545 0.2716545 0.5000000), wk = 0.0025000 k( 136) = ( 0.2603356 0.2603356 0.5000000), wk = 0.0025000 k( 137) = ( 0.2490167 0.2490166 0.5000000), wk = 0.0025000 k( 138) = ( 0.2376977 0.2376977 0.5000000), wk = 0.0025000 k( 139) = ( 0.2263788 0.2263788 0.5000000), wk = 0.0025000 k( 140) = ( 0.2150598 0.2150598 0.5000000), wk = 0.0025000 k( 141) = ( 0.2037409 0.2037409 0.5000000), wk = 0.0025000 k( 142) = ( 0.1924220 0.1924220 0.5000000), wk = 0.0025000 k( 143) = ( 0.1811030 0.1811030 0.5000000), wk = 0.0025000 k( 144) = ( 0.1697841 0.1697841 0.5000000), wk = 0.0025000 k( 145) = ( 0.1584651 0.1584651 0.5000000), wk = 0.0025000 k( 146) = ( 0.1471462 0.1471462 0.5000000), wk = 0.0025000 k( 147) = ( 0.1358273 0.1358273 0.5000000), wk = 0.0025000 k( 148) = ( 0.1245083 0.1245083 0.5000000), wk = 0.0025000 k( 149) = ( 0.1131894 0.1131894 0.5000000), wk = 0.0025000 k( 150) = ( 0.1018705 0.1018704 0.5000000), wk = 0.0025000 k( 151) = ( 0.0905515 0.0905515 0.5000000), wk = 0.0025000 k( 152) = ( 0.0792326 0.0792326 0.5000000), wk = 0.0025000 k( 153) = ( 0.0679136 0.0679136 0.5000000), wk = 0.0025000 k( 154) = ( 0.0565947 0.0565947 0.5000000), wk = 0.0025000 k( 155) = ( 0.0452757 0.0452757 0.5000000), wk = 0.0025000 k( 156) = ( 0.0339568 0.0339568 0.5000000), wk = 0.0025000 k( 157) = ( 0.0226379 0.0226379 0.5000000), wk = 0.0025000 k( 158) = ( 0.0113189 0.0113189 0.5000000), wk = 0.0025000 k( 159) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025000 k( 160) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025000 k( 161) = ( 0.0000000 0.0000000 0.4900000), wk = 0.0025000 k( 162) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0025000 k( 163) = ( 0.0000000 0.0000000 0.4700000), wk = 0.0025000 k( 164) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0025000 k( 165) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0025000 k( 166) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0025000 k( 167) = ( 0.0000000 0.0000000 0.4300000), wk = 0.0025000 k( 168) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0025000 k( 169) = ( 0.0000000 0.0000000 0.4100000), wk = 0.0025000 k( 170) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0025000 k( 171) = ( 0.0000000 0.0000000 0.3900000), wk = 0.0025000 k( 172) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0025000 k( 173) = ( 0.0000000 0.0000000 0.3700000), wk = 0.0025000 k( 174) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0025000 k( 175) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0025000 k( 176) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0025000 k( 177) = ( 0.0000000 0.0000000 0.3300000), wk = 0.0025000 k( 178) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0025000 k( 179) = ( 0.0000000 0.0000000 0.3100000), wk = 0.0025000 k( 180) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0025000 k( 181) = ( 0.0000000 0.0000000 0.2900000), wk = 0.0025000 k( 182) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0025000 k( 183) = ( 0.0000000 0.0000000 0.2700000), wk = 0.0025000 k( 184) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0025000 k( 185) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0025000 k( 186) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0025000 k( 187) = ( 0.0000000 0.0000000 0.2300000), wk = 0.0025000 k( 188) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0025000 k( 189) = ( 0.0000000 0.0000000 0.2100000), wk = 0.0025000 k( 190) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0025000 k( 191) = ( 0.0000000 0.0000000 0.1900000), wk = 0.0025000 k( 192) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0025000 k( 193) = ( 0.0000000 0.0000000 0.1700000), wk = 0.0025000 k( 194) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0025000 k( 195) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0025000 k( 196) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0025000 k( 197) = ( 0.0000000 0.0000000 0.1300000), wk = 0.0025000 k( 198) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0025000 k( 199) = ( 0.0000000 0.0000000 0.1100000), wk = 0.0025000 k( 200) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0025000 k( 201) = ( 0.0000000 0.0000000 0.0900000), wk = 0.0025000 k( 202) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0025000 k( 203) = ( 0.0000000 0.0000000 0.0700000), wk = 0.0025000 k( 204) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0025000 k( 205) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0025000 k( 206) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0025000 k( 207) = ( 0.0000000 0.0000000 0.0300000), wk = 0.0025000 k( 208) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0025000 k( 209) = ( 0.0000000 0.0000000 0.0100000), wk = 0.0025000 k( 210) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 211) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 212) = ( -0.0161290 0.0161290 0.0000000), wk = 0.0025000 k( 213) = ( -0.0322581 0.0322581 0.0000000), wk = 0.0025000 k( 214) = ( -0.0483871 0.0483871 -0.0000000), wk = 0.0025000 k( 215) = ( -0.0645161 0.0645161 -0.0000000), wk = 0.0025000 k( 216) = ( -0.0806452 0.0806452 -0.0000000), wk = 0.0025000 k( 217) = ( -0.0967742 0.0967742 -0.0000000), wk = 0.0025000 k( 218) = ( -0.1129032 0.1129032 -0.0000000), wk = 0.0025000 k( 219) = ( -0.1290323 0.1290323 -0.0000000), wk = 0.0025000 k( 220) = ( -0.1451613 0.1451613 -0.0000000), wk = 0.0025000 k( 221) = ( -0.1612903 0.1612903 -0.0000000), wk = 0.0025000 k( 222) = ( -0.1774194 0.1774193 -0.0000000), wk = 0.0025000 k( 223) = ( -0.1935484 0.1935484 -0.0000000), wk = 0.0025000 k( 224) = ( -0.2096774 0.2096774 -0.0000000), wk = 0.0025000 k( 225) = ( -0.2258064 0.2258064 -0.0000000), wk = 0.0025000 k( 226) = ( -0.2419355 0.2419355 0.0000000), wk = 0.0025000 k( 227) = ( -0.2580645 0.2580645 -0.0000000), wk = 0.0025000 k( 228) = ( -0.2741936 0.2741935 -0.0000000), wk = 0.0025000 k( 229) = ( -0.2903226 0.2903226 -0.0000000), wk = 0.0025000 k( 230) = ( -0.3064516 0.3064516 -0.0000000), wk = 0.0025000 k( 231) = ( -0.3225807 0.3225806 -0.0000000), wk = 0.0025000 k( 232) = ( -0.3387097 0.3387097 -0.0000000), wk = 0.0025000 k( 233) = ( -0.3548387 0.3548387 -0.0000000), wk = 0.0025000 k( 234) = ( -0.3709677 0.3709677 -0.0000000), wk = 0.0025000 k( 235) = ( -0.3870968 0.3870968 -0.0000000), wk = 0.0025000 k( 236) = ( -0.4032258 0.4032258 -0.0000000), wk = 0.0025000 k( 237) = ( -0.4193548 0.4193548 -0.0000000), wk = 0.0025000 k( 238) = ( -0.4354839 0.4354839 -0.0000000), wk = 0.0025000 k( 239) = ( -0.4516129 0.4516129 -0.0000000), wk = 0.0025000 k( 240) = ( -0.4677419 0.4677419 -0.0000000), wk = 0.0025000 k( 241) = ( -0.4838710 0.4838710 -0.0000000), wk = 0.0025000 k( 242) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0025000 k( 243) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0025000 k( 244) = ( -0.4885023 0.5114977 -0.0000000), wk = 0.0025000 k( 245) = ( -0.4770045 0.5229955 -0.0000000), wk = 0.0025000 k( 246) = ( -0.4655068 0.5344932 -0.0000000), wk = 0.0025000 k( 247) = ( -0.4540091 0.5459909 -0.0000000), wk = 0.0025000 k( 248) = ( -0.4425114 0.5574886 -0.0000000), wk = 0.0025000 k( 249) = ( -0.4310136 0.5689864 -0.0000000), wk = 0.0025000 k( 250) = ( -0.4195159 0.5804841 -0.0000000), wk = 0.0025000 k( 251) = ( -0.4080182 0.5919818 0.0000000), wk = 0.0025000 k( 252) = ( -0.3965204 0.6034796 -0.0000000), wk = 0.0025000 k( 253) = ( -0.3850227 0.6149773 -0.0000000), wk = 0.0025000 k( 254) = ( -0.3735250 0.6264750 0.0000000), wk = 0.0025000 k( 255) = ( -0.3735250 0.6264750 0.0000000), wk = 0.0025000 k( 256) = ( -0.3735250 0.6264750 0.0100000), wk = 0.0025000 k( 257) = ( -0.3735250 0.6264750 0.0200000), wk = 0.0025000 k( 258) = ( -0.3735250 0.6264750 0.0300000), wk = 0.0025000 k( 259) = ( -0.3735250 0.6264750 0.0400000), wk = 0.0025000 k( 260) = ( -0.3735250 0.6264750 0.0500000), wk = 0.0025000 k( 261) = ( -0.3735250 0.6264750 0.0600000), wk = 0.0025000 k( 262) = ( -0.3735250 0.6264750 0.0700000), wk = 0.0025000 k( 263) = ( -0.3735250 0.6264750 0.0800000), wk = 0.0025000 k( 264) = ( -0.3735250 0.6264750 0.0900000), wk = 0.0025000 k( 265) = ( -0.3735250 0.6264750 0.1000000), wk = 0.0025000 k( 266) = ( -0.3735250 0.6264750 0.1100000), wk = 0.0025000 k( 267) = ( -0.3735250 0.6264750 0.1200000), wk = 0.0025000 k( 268) = ( -0.3735250 0.6264750 0.1300000), wk = 0.0025000 k( 269) = ( -0.3735250 0.6264750 0.1400000), wk = 0.0025000 k( 270) = ( -0.3735250 0.6264750 0.1500000), wk = 0.0025000 k( 271) = ( -0.3735250 0.6264750 0.1600000), wk = 0.0025000 k( 272) = ( -0.3735250 0.6264750 0.1700000), wk = 0.0025000 k( 273) = ( -0.3735250 0.6264750 0.1800000), wk = 0.0025000 k( 274) = ( -0.3735250 0.6264750 0.1900000), wk = 0.0025000 k( 275) = ( -0.3735250 0.6264750 0.2000000), wk = 0.0025000 k( 276) = ( -0.3735250 0.6264750 0.2100000), wk = 0.0025000 k( 277) = ( -0.3735250 0.6264750 0.2200000), wk = 0.0025000 k( 278) = ( -0.3735250 0.6264750 0.2300000), wk = 0.0025000 k( 279) = ( -0.3735250 0.6264750 0.2400000), wk = 0.0025000 k( 280) = ( -0.3735250 0.6264750 0.2500000), wk = 0.0025000 k( 281) = ( -0.3735250 0.6264750 0.2600000), wk = 0.0025000 k( 282) = ( -0.3735250 0.6264750 0.2700000), wk = 0.0025000 k( 283) = ( -0.3735250 0.6264750 0.2800000), wk = 0.0025000 k( 284) = ( -0.3735250 0.6264750 0.2900000), wk = 0.0025000 k( 285) = ( -0.3735250 0.6264750 0.3000000), wk = 0.0025000 k( 286) = ( -0.3735250 0.6264750 0.3100000), wk = 0.0025000 k( 287) = ( -0.3735250 0.6264750 0.3200000), wk = 0.0025000 k( 288) = ( -0.3735250 0.6264750 0.3300000), wk = 0.0025000 k( 289) = ( -0.3735250 0.6264750 0.3400000), wk = 0.0025000 k( 290) = ( -0.3735250 0.6264750 0.3500000), wk = 0.0025000 k( 291) = ( -0.3735250 0.6264750 0.3600000), wk = 0.0025000 k( 292) = ( -0.3735250 0.6264750 0.3700000), wk = 0.0025000 k( 293) = ( -0.3735250 0.6264750 0.3800000), wk = 0.0025000 k( 294) = ( -0.3735250 0.6264750 0.3900000), wk = 0.0025000 k( 295) = ( -0.3735250 0.6264750 0.4000000), wk = 0.0025000 k( 296) = ( -0.3735250 0.6264750 0.4100000), wk = 0.0025000 k( 297) = ( -0.3735250 0.6264750 0.4200000), wk = 0.0025000 k( 298) = ( -0.3735250 0.6264750 0.4300000), wk = 0.0025000 k( 299) = ( -0.3735250 0.6264750 0.4400000), wk = 0.0025000 k( 300) = ( -0.3735250 0.6264750 0.4500000), wk = 0.0025000 k( 301) = ( -0.3735250 0.6264750 0.4600000), wk = 0.0025000 k( 302) = ( -0.3735250 0.6264750 0.4700000), wk = 0.0025000 k( 303) = ( -0.3735250 0.6264750 0.4800000), wk = 0.0025000 k( 304) = ( -0.3735250 0.6264750 0.4900000), wk = 0.0025000 k( 305) = ( -0.3735250 0.6264750 0.5000000), wk = 0.0025000 k( 306) = ( -0.3735250 0.6264750 0.5000000), wk = 0.0025000 k( 307) = ( -0.3850227 0.6149773 0.5000000), wk = 0.0025000 k( 308) = ( -0.3965204 0.6034796 0.5000000), wk = 0.0025000 k( 309) = ( -0.4080182 0.5919818 0.5000000), wk = 0.0025000 k( 310) = ( -0.4195159 0.5804841 0.5000000), wk = 0.0025000 k( 311) = ( -0.4310136 0.5689864 0.5000000), wk = 0.0025000 k( 312) = ( -0.4425114 0.5574886 0.5000000), wk = 0.0025000 k( 313) = ( -0.4540091 0.5459909 0.5000000), wk = 0.0025000 k( 314) = ( -0.4655068 0.5344932 0.5000000), wk = 0.0025000 k( 315) = ( -0.4770045 0.5229955 0.5000000), wk = 0.0025000 k( 316) = ( -0.4885023 0.5114977 0.5000000), wk = 0.0025000 k( 317) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025000 k( 318) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025000 k( 319) = ( -0.5000000 0.5000000 0.4900000), wk = 0.0025000 k( 320) = ( -0.5000000 0.5000000 0.4800000), wk = 0.0025000 k( 321) = ( -0.5000000 0.5000000 0.4700000), wk = 0.0025000 k( 322) = ( -0.5000000 0.5000000 0.4600000), wk = 0.0025000 k( 323) = ( -0.5000000 0.5000000 0.4500000), wk = 0.0025000 k( 324) = ( -0.5000000 0.5000000 0.4400000), wk = 0.0025000 k( 325) = ( -0.5000000 0.5000000 0.4300000), wk = 0.0025000 k( 326) = ( -0.5000000 0.5000000 0.4200000), wk = 0.0025000 k( 327) = ( -0.5000000 0.5000000 0.4100000), wk = 0.0025000 k( 328) = ( -0.5000000 0.5000000 0.4000000), wk = 0.0025000 k( 329) = ( -0.5000000 0.5000000 0.3900000), wk = 0.0025000 k( 330) = ( -0.5000000 0.5000000 0.3800000), wk = 0.0025000 k( 331) = ( -0.5000000 0.5000000 0.3700000), wk = 0.0025000 k( 332) = ( -0.5000000 0.5000000 0.3600000), wk = 0.0025000 k( 333) = ( -0.5000000 0.5000000 0.3500000), wk = 0.0025000 k( 334) = ( -0.5000000 0.5000000 0.3400000), wk = 0.0025000 k( 335) = ( -0.5000000 0.5000000 0.3300000), wk = 0.0025000 k( 336) = ( -0.5000000 0.5000000 0.3200000), wk = 0.0025000 k( 337) = ( -0.5000000 0.5000000 0.3100000), wk = 0.0025000 k( 338) = ( -0.5000000 0.5000000 0.3000000), wk = 0.0025000 k( 339) = ( -0.5000000 0.5000000 0.2900000), wk = 0.0025000 k( 340) = ( -0.5000000 0.5000000 0.2800000), wk = 0.0025000 k( 341) = ( -0.5000000 0.5000000 0.2700000), wk = 0.0025000 k( 342) = ( -0.5000000 0.5000000 0.2600000), wk = 0.0025000 k( 343) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0025000 k( 344) = ( -0.5000000 0.5000000 0.2400000), wk = 0.0025000 k( 345) = ( -0.5000000 0.5000000 0.2300000), wk = 0.0025000 k( 346) = ( -0.5000000 0.5000000 0.2200000), wk = 0.0025000 k( 347) = ( -0.5000000 0.5000000 0.2100000), wk = 0.0025000 k( 348) = ( -0.5000000 0.5000000 0.2000000), wk = 0.0025000 k( 349) = ( -0.5000000 0.5000000 0.1900000), wk = 0.0025000 k( 350) = ( -0.5000000 0.5000000 0.1800000), wk = 0.0025000 k( 351) = ( -0.5000000 0.5000000 0.1700000), wk = 0.0025000 k( 352) = ( -0.5000000 0.5000000 0.1600000), wk = 0.0025000 k( 353) = ( -0.5000000 0.5000000 0.1500000), wk = 0.0025000 k( 354) = ( -0.5000000 0.5000000 0.1400000), wk = 0.0025000 k( 355) = ( -0.5000000 0.5000000 0.1300000), wk = 0.0025000 k( 356) = ( -0.5000000 0.5000000 0.1200000), wk = 0.0025000 k( 357) = ( -0.5000000 0.5000000 0.1100000), wk = 0.0025000 k( 358) = ( -0.5000000 0.5000000 0.1000000), wk = 0.0025000 k( 359) = ( -0.5000000 0.5000000 0.0900000), wk = 0.0025000 k( 360) = ( -0.5000000 0.5000000 0.0800000), wk = 0.0025000 k( 361) = ( -0.5000000 0.5000000 0.0700000), wk = 0.0025000 k( 362) = ( -0.5000000 0.5000000 0.0600000), wk = 0.0025000 k( 363) = ( -0.5000000 0.5000000 0.0500000), wk = 0.0025000 k( 364) = ( -0.5000000 0.5000000 0.0400000), wk = 0.0025000 k( 365) = ( -0.5000000 0.5000000 0.0300000), wk = 0.0025000 k( 366) = ( -0.5000000 0.5000000 0.0200000), wk = 0.0025000 k( 367) = ( -0.5000000 0.5000000 0.0100000), wk = 0.0025000 k( 368) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0025000 k( 369) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025000 k( 370) = ( -0.0161290 0.0161290 0.5000000), wk = 0.0025000 k( 371) = ( -0.0322581 0.0322581 0.5000000), wk = 0.0025000 k( 372) = ( -0.0483871 0.0483871 0.5000000), wk = 0.0025000 k( 373) = ( -0.0645161 0.0645161 0.5000000), wk = 0.0025000 k( 374) = ( -0.0806452 0.0806452 0.5000000), wk = 0.0025000 k( 375) = ( -0.0967742 0.0967742 0.5000000), wk = 0.0025000 k( 376) = ( -0.1129032 0.1129032 0.5000000), wk = 0.0025000 k( 377) = ( -0.1290323 0.1290323 0.5000000), wk = 0.0025000 k( 378) = ( -0.1451613 0.1451613 0.5000000), wk = 0.0025000 k( 379) = ( -0.1612903 0.1612903 0.5000000), wk = 0.0025000 k( 380) = ( -0.1774194 0.1774193 0.5000000), wk = 0.0025000 k( 381) = ( -0.1935484 0.1935484 0.5000000), wk = 0.0025000 k( 382) = ( -0.2096774 0.2096774 0.5000000), wk = 0.0025000 k( 383) = ( -0.2258064 0.2258064 0.5000000), wk = 0.0025000 k( 384) = ( -0.2419355 0.2419355 0.5000000), wk = 0.0025000 k( 385) = ( -0.2580645 0.2580645 0.5000000), wk = 0.0025000 k( 386) = ( -0.2741936 0.2741935 0.5000000), wk = 0.0025000 k( 387) = ( -0.2903226 0.2903226 0.5000000), wk = 0.0025000 k( 388) = ( -0.3064516 0.3064516 0.5000000), wk = 0.0025000 k( 389) = ( -0.3225807 0.3225806 0.5000000), wk = 0.0025000 k( 390) = ( -0.3387097 0.3387097 0.5000000), wk = 0.0025000 k( 391) = ( -0.3548387 0.3548387 0.5000000), wk = 0.0025000 k( 392) = ( -0.3709677 0.3709677 0.5000000), wk = 0.0025000 k( 393) = ( -0.3870968 0.3870968 0.5000000), wk = 0.0025000 k( 394) = ( -0.4032258 0.4032258 0.5000000), wk = 0.0025000 k( 395) = ( -0.4193548 0.4193548 0.5000000), wk = 0.0025000 k( 396) = ( -0.4354839 0.4354839 0.5000000), wk = 0.0025000 k( 397) = ( -0.4516129 0.4516129 0.5000000), wk = 0.0025000 k( 398) = ( -0.4677419 0.4677419 0.5000000), wk = 0.0025000 k( 399) = ( -0.4838710 0.4838710 0.5000000), wk = 0.0025000 k( 400) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025000 Dense grid: 121071 G-vectors FFT dimensions: ( 80, 80, 40) Smooth grid: 30333 G-vectors FFT dimensions: ( 50, 50, 25) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 218, 50) NL pseudopotentials 0.23 Mb ( 109, 136) Each V/rho on FFT grid 0.20 Mb ( 12800) Each G-vector array 0.03 Mb ( 3364) G-vector shells 0.01 Mb ( 1694) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.67 Mb ( 218, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.21 Mb ( 136, 2, 50) The potential is recalculated from file : ./HgPt3.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.8 secs Computing kpt #: 2 total cpu time spent up to now is 3.4 secs Computing kpt #: 3 total cpu time spent up to now is 3.9 secs Computing kpt #: 4 total cpu time spent up to now is 4.5 secs Computing kpt #: 5 total cpu time spent up to now is 5.1 secs Computing kpt #: 6 total cpu time spent up to now is 5.7 secs Computing kpt #: 7 total cpu time spent up to now is 6.2 secs Computing kpt #: 8 total cpu time spent up to now is 6.7 secs Computing kpt #: 9 total cpu time spent up to now is 7.3 secs Computing kpt #: 10 total cpu time spent up to now is 7.9 secs Computing kpt #: 11 total cpu time spent up to now is 8.4 secs Computing kpt #: 12 total cpu time spent up to now is 9.0 secs Computing kpt #: 13 total cpu time spent up to now is 9.6 secs Computing kpt #: 14 total cpu time spent up to now is 10.1 secs Computing kpt #: 15 total cpu time spent up to now is 10.6 secs Computing kpt #: 16 total cpu time spent up to now is 11.1 secs Computing kpt #: 17 total cpu time spent up to now is 11.6 secs Computing kpt #: 18 total cpu time spent up to now is 12.1 secs Computing kpt #: 19 total cpu time spent up to now is 12.6 secs Computing kpt #: 20 total cpu time spent up to now is 13.1 secs Computing kpt #: 21 total cpu time spent up to now is 13.6 secs Computing kpt #: 22 total cpu time spent up to now is 14.1 secs Computing kpt #: 23 total cpu time spent up to now is 14.6 secs Computing kpt #: 24 total cpu time spent up to now is 15.2 secs Computing kpt #: 25 total cpu time spent up to now is 15.7 secs Computing kpt #: 26 total cpu time spent up to now is 16.2 secs Computing kpt #: 27 total cpu time spent up to now is 16.8 secs Computing kpt #: 28 total cpu time spent up to now is 17.3 secs Computing kpt #: 29 total cpu time spent up to now is 17.9 secs Computing kpt #: 30 total cpu time spent up to now is 18.5 secs Computing kpt #: 31 total cpu time spent up to now is 19.1 secs Computing kpt #: 32 total cpu time spent up to now is 19.6 secs Computing kpt #: 33 total cpu time spent up to now is 20.2 secs Computing kpt #: 34 total cpu time spent up to now is 20.7 secs Computing kpt #: 35 total cpu time spent up to now is 21.2 secs Computing kpt #: 36 total cpu time spent up to now is 21.8 secs Computing kpt #: 37 total cpu time spent up to now is 22.4 secs Computing kpt #: 38 total cpu time spent up to now is 22.9 secs Computing kpt #: 39 total cpu time spent up to now is 23.4 secs Computing kpt #: 40 total cpu time spent up to now is 24.0 secs Computing kpt #: 41 total cpu time spent up to now is 24.5 secs Computing kpt #: 42 total cpu time spent up to now is 25.0 secs Computing kpt #: 43 total cpu time spent up to now is 25.5 secs Computing kpt #: 44 total cpu time spent up to now is 26.0 secs Computing kpt #: 45 total cpu time spent up to now is 26.5 secs Computing kpt #: 46 total cpu time spent up to now is 27.0 secs Computing kpt #: 47 total cpu time spent up to now is 27.5 secs Computing kpt #: 48 total cpu time spent up to now is 28.0 secs Computing kpt #: 49 total cpu time spent up to now is 28.5 secs Computing kpt #: 50 total cpu time spent up to now is 29.0 secs Computing kpt #: 51 total cpu time spent up to now is 29.5 secs Computing kpt #: 52 total cpu time spent up to now is 30.1 secs Computing kpt #: 53 total cpu time spent up to now is 30.6 secs Computing kpt #: 54 total cpu time spent up to now is 31.2 secs Computing kpt #: 55 total cpu time spent up to now is 31.8 secs Computing kpt #: 56 total cpu time spent up to now is 32.3 secs Computing kpt #: 57 total cpu time spent up to now is 32.9 secs Computing kpt #: 58 total cpu time spent up to now is 33.4 secs Computing kpt #: 59 total cpu time spent up to now is 34.1 secs Computing kpt #: 60 total cpu time spent up to now is 34.6 secs Computing kpt #: 61 total cpu time spent up to now is 35.2 secs Computing kpt #: 62 total cpu time spent up to now is 35.7 secs Computing kpt #: 63 total cpu time spent up to now is 36.3 secs Computing kpt #: 64 total cpu time spent up to now is 36.9 secs Computing kpt #: 65 total cpu time spent up to now is 37.4 secs Computing kpt #: 66 total cpu time spent up to now is 38.1 secs Computing kpt #: 67 total cpu time spent up to now is 38.7 secs Computing kpt #: 68 total cpu time spent up to now is 39.3 secs Computing kpt #: 69 total cpu time spent up to now is 39.9 secs Computing kpt #: 70 total cpu time spent up to now is 40.6 secs Computing kpt #: 71 total cpu time spent up to now is 41.2 secs Computing kpt #: 72 total cpu time spent up to now is 41.8 secs Computing kpt #: 73 total cpu time spent up to now is 42.5 secs Computing kpt #: 74 total cpu time spent up to now is 43.0 secs Computing kpt #: 75 total cpu time spent up to now is 43.5 secs Computing kpt #: 76 total cpu time spent up to now is 44.1 secs Computing kpt #: 77 total cpu time spent up to now is 44.6 secs Computing kpt #: 78 total cpu time spent up to now is 45.2 secs Computing kpt #: 79 total cpu time spent up to now is 45.8 secs Computing kpt #: 80 total cpu time spent up to now is 46.4 secs Computing kpt #: 81 total cpu time spent up to now is 46.9 secs Computing kpt #: 82 total cpu time spent up to now is 47.5 secs Computing kpt #: 83 total cpu time spent up to now is 48.1 secs Computing kpt #: 84 total cpu time spent up to now is 48.6 secs Computing kpt #: 85 total cpu time spent up to now is 49.2 secs Computing kpt #: 86 total cpu time spent up to now is 49.9 secs Computing kpt #: 87 total cpu time spent up to now is 50.5 secs Computing kpt #: 88 total cpu time spent up to now is 51.1 secs Computing kpt #: 89 total cpu time spent up to now is 51.7 secs Computing kpt #: 90 total cpu time spent up to now is 52.3 secs Computing kpt #: 91 total cpu time spent up to now is 52.8 secs Computing kpt #: 92 total cpu time spent up to now is 53.3 secs Computing kpt #: 93 total cpu time spent up to now is 53.9 secs Computing kpt #: 94 total cpu time spent up to now is 54.4 secs Computing kpt #: 95 total cpu time spent up to now is 54.9 secs Computing kpt #: 96 total cpu time spent up to now is 55.5 secs Computing kpt #: 97 total cpu time spent up to now is 56.0 secs Computing kpt #: 98 total cpu time spent up to now is 56.7 secs Computing kpt #: 99 total cpu time spent up to now is 57.3 secs Computing kpt #: 100 total cpu time spent up to now is 57.8 secs Computing kpt #: 101 total cpu time spent up to now is 58.4 secs Computing kpt #: 102 total cpu time spent up to now is 59.0 secs Computing kpt #: 103 total cpu time spent up to now is 59.6 secs Computing kpt #: 104 total cpu time spent up to now is 60.2 secs Computing kpt #: 105 total cpu time spent up to now is 61.1 secs Computing kpt #: 106 total cpu time spent up to now is 61.9 secs Computing kpt #: 107 total cpu time spent up to now is 62.7 secs Computing kpt #: 108 total cpu time spent up to now is 63.5 secs Computing kpt #: 109 total cpu time spent up to now is 64.3 secs Computing kpt #: 110 total cpu time spent up to now is 65.1 secs Computing kpt #: 111 total cpu time spent up to now is 65.9 secs Computing kpt #: 112 total cpu time spent up to now is 66.7 secs Computing kpt #: 113 total cpu time spent up to now is 67.4 secs Computing kpt #: 114 total cpu time spent up to now is 68.2 secs Computing kpt #: 115 total cpu time spent up to now is 68.9 secs Computing kpt #: 116 total cpu time spent up to now is 69.6 secs Computing kpt #: 117 total cpu time spent up to now is 70.3 secs Computing kpt #: 118 total cpu time spent up to now is 70.9 secs Computing kpt #: 119 total cpu time spent up to now is 71.6 secs Computing kpt #: 120 total cpu time spent up to now is 72.2 secs Computing kpt #: 121 total cpu time spent up to now is 72.8 secs Computing kpt #: 122 total cpu time spent up to now is 73.4 secs Computing kpt #: 123 total cpu time spent up to now is 74.1 secs Computing kpt #: 124 total cpu time spent up to now is 74.7 secs Computing kpt #: 125 total cpu time spent up to now is 75.3 secs Computing kpt #: 126 total cpu time spent up to now is 75.9 secs Computing kpt #: 127 total cpu time spent up to now is 76.5 secs Computing kpt #: 128 total cpu time spent up to now is 77.2 secs Computing kpt #: 129 total cpu time spent up to now is 77.8 secs Computing kpt #: 130 total cpu time spent up to now is 78.4 secs Computing kpt #: 131 total cpu time spent up to now is 79.0 secs Computing kpt #: 132 total cpu time spent up to now is 79.6 secs Computing kpt #: 133 total cpu time spent up to now is 80.3 secs Computing kpt #: 134 total cpu time spent up to now is 81.0 secs Computing kpt #: 135 total cpu time spent up to now is 81.8 secs Computing kpt #: 136 total cpu time spent up to now is 82.6 secs Computing kpt #: 137 total cpu time spent up to now is 83.5 secs Computing kpt #: 138 total cpu time spent up to now is 84.3 secs Computing kpt #: 139 total cpu time spent up to now is 85.1 secs Computing kpt #: 140 total cpu time spent up to now is 87.1 secs Computing kpt #: 141 total cpu time spent up to now is 87.8 secs Computing kpt #: 142 total cpu time spent up to now is 88.5 secs Computing kpt #: 143 total cpu time spent up to now is 89.1 secs Computing kpt #: 144 total cpu time spent up to now is 89.8 secs Computing kpt #: 145 total cpu time spent up to now is 90.4 secs Computing kpt #: 146 total cpu time spent up to now is 91.1 secs Computing kpt #: 147 total cpu time spent up to now is 91.7 secs Computing kpt #: 148 total cpu time spent up to now is 92.3 secs Computing kpt #: 149 total cpu time spent up to now is 92.9 secs Computing kpt #: 150 total cpu time spent up to now is 93.5 secs Computing kpt #: 151 total cpu time spent up to now is 94.1 secs Computing kpt #: 152 total cpu time spent up to now is 94.7 secs Computing kpt #: 153 total cpu time spent up to now is 95.5 secs Computing kpt #: 154 total cpu time spent up to now is 96.2 secs Computing kpt #: 155 total cpu time spent up to now is 96.9 secs Computing kpt #: 156 total cpu time spent up to now is 97.4 secs Computing kpt #: 157 total cpu time spent up to now is 98.0 secs Computing kpt #: 158 total cpu time spent up to now is 98.5 secs Computing kpt #: 159 total cpu time spent up to now is 99.0 secs Computing kpt #: 160 total cpu time spent up to now is 99.6 secs Computing kpt #: 161 total cpu time spent up to now is 100.1 secs Computing kpt #: 162 total cpu time spent up to now is 100.7 secs Computing kpt #: 163 total cpu time spent up to now is 101.2 secs Computing kpt #: 164 total cpu time spent up to now is 101.8 secs Computing kpt #: 165 total cpu time spent up to now is 102.4 secs Computing kpt #: 166 total cpu time spent up to now is 103.0 secs Computing kpt #: 167 total cpu time spent up to now is 103.7 secs Computing kpt #: 168 total cpu time spent up to now is 104.3 secs Computing kpt #: 169 total cpu time spent up to now is 105.0 secs Computing kpt #: 170 total cpu time spent up to now is 105.7 secs Computing kpt #: 171 total cpu time spent up to now is 106.3 secs Computing kpt #: 172 total cpu time spent up to now is 106.9 secs Computing kpt #: 173 total cpu time spent up to now is 107.4 secs Computing kpt #: 174 total cpu time spent up to now is 108.1 secs Computing kpt #: 175 total cpu time spent up to now is 108.7 secs Computing kpt #: 176 total cpu time spent up to now is 109.2 secs Computing kpt #: 177 total cpu time spent up to now is 109.8 secs Computing kpt #: 178 total cpu time spent up to now is 110.3 secs Computing kpt #: 179 total cpu time spent up to now is 110.9 secs Computing kpt #: 180 total cpu time spent up to now is 111.5 secs Computing kpt #: 181 total cpu time spent up to now is 112.0 secs Computing kpt #: 182 total cpu time spent up to now is 112.5 secs Computing kpt #: 183 total cpu time spent up to now is 113.1 secs Computing kpt #: 184 total cpu time spent up to now is 113.6 secs Computing kpt #: 185 total cpu time spent up to now is 114.1 secs Computing kpt #: 186 total cpu time spent up to now is 114.7 secs Computing kpt #: 187 total cpu time spent up to now is 115.2 secs Computing kpt #: 188 total cpu time spent up to now is 115.9 secs Computing kpt #: 189 total cpu time spent up to now is 116.6 secs Computing kpt #: 190 total cpu time spent up to now is 117.3 secs Computing kpt #: 191 total cpu time spent up to now is 117.9 secs Computing kpt #: 192 total cpu time spent up to now is 118.5 secs Computing kpt #: 193 total cpu time spent up to now is 119.0 secs Computing kpt #: 194 total cpu time spent up to now is 119.6 secs Computing kpt #: 195 total cpu time spent up to now is 120.1 secs Computing kpt #: 196 total cpu time spent up to now is 120.6 secs Computing kpt #: 197 total cpu time spent up to now is 121.1 secs Computing kpt #: 198 total cpu time spent up to now is 121.6 secs Computing kpt #: 199 total cpu time spent up to now is 122.1 secs Computing kpt #: 200 total cpu time spent up to now is 122.6 secs Computing kpt #: 201 total cpu time spent up to now is 123.2 secs Computing kpt #: 202 total cpu time spent up to now is 123.7 secs Computing kpt #: 203 total cpu time spent up to now is 124.2 secs Computing kpt #: 204 total cpu time spent up to now is 124.7 secs Computing kpt #: 205 total cpu time spent up to now is 125.3 secs Computing kpt #: 206 total cpu time spent up to now is 125.8 secs Computing kpt #: 207 total cpu time spent up to now is 126.4 secs Computing kpt #: 208 total cpu time spent up to now is 127.0 secs Computing kpt #: 209 total cpu time spent up to now is 127.5 secs Computing kpt #: 210 total cpu time spent up to now is 128.0 secs Computing kpt #: 211 total cpu time spent up to now is 128.5 secs Computing kpt #: 212 total cpu time spent up to now is 129.1 secs Computing kpt #: 213 total cpu time spent up to now is 129.8 secs Computing kpt #: 214 total cpu time spent up to now is 130.6 secs Computing kpt #: 215 total cpu time spent up to now is 131.3 secs Computing kpt #: 216 total cpu time spent up to now is 131.8 secs Computing kpt #: 217 total cpu time spent up to now is 132.3 secs Computing kpt #: 218 total cpu time spent up to now is 132.8 secs Computing kpt #: 219 total cpu time spent up to now is 133.4 secs Computing kpt #: 220 total cpu time spent up to now is 134.0 secs Computing kpt #: 221 total cpu time spent up to now is 134.6 secs Computing kpt #: 222 total cpu time spent up to now is 135.3 secs Computing kpt #: 223 total cpu time spent up to now is 135.9 secs Computing kpt #: 224 total cpu time spent up to now is 136.6 secs Computing kpt #: 225 total cpu time spent up to now is 137.2 secs Computing kpt #: 226 total cpu time spent up to now is 137.8 secs Computing kpt #: 227 total cpu time spent up to now is 138.5 secs Computing kpt #: 228 total cpu time spent up to now is 139.2 secs Computing kpt #: 229 total cpu time spent up to now is 139.7 secs Computing kpt #: 230 total cpu time spent up to now is 140.3 secs Computing kpt #: 231 total cpu time spent up to now is 141.0 secs Computing kpt #: 232 total cpu time spent up to now is 141.5 secs Computing kpt #: 233 total cpu time spent up to now is 142.1 secs Computing kpt #: 234 total cpu time spent up to now is 142.8 secs Computing kpt #: 235 total cpu time spent up to now is 143.4 secs Computing kpt #: 236 total cpu time spent up to now is 144.0 secs Computing kpt #: 237 total cpu time spent up to now is 144.6 secs Computing kpt #: 238 total cpu time spent up to now is 145.3 secs Computing kpt #: 239 total cpu time spent up to now is 145.9 secs Computing kpt #: 240 total cpu time spent up to now is 146.6 secs Computing kpt #: 241 total cpu time spent up to now is 147.2 secs Computing kpt #: 242 total cpu time spent up to now is 147.9 secs Computing kpt #: 243 total cpu time spent up to now is 148.6 secs Computing kpt #: 244 total cpu time spent up to now is 149.2 secs Computing kpt #: 245 total cpu time spent up to now is 149.8 secs Computing kpt #: 246 total cpu time spent up to now is 150.4 secs Computing kpt #: 247 total cpu time spent up to now is 151.0 secs Computing kpt #: 248 total cpu time spent up to now is 151.5 secs Computing kpt #: 249 total cpu time spent up to now is 152.1 secs Computing kpt #: 250 total cpu time spent up to now is 152.6 secs Computing kpt #: 251 total cpu time spent up to now is 153.2 secs Computing kpt #: 252 total cpu time spent up to now is 153.7 secs Computing kpt #: 253 total cpu time spent up to now is 154.3 secs Computing kpt #: 254 total cpu time spent up to now is 154.8 secs Computing kpt #: 255 total cpu time spent up to now is 155.4 secs Computing kpt #: 256 total cpu time spent up to now is 155.9 secs Computing kpt #: 257 total cpu time spent up to now is 156.5 secs Computing kpt #: 258 total cpu time spent up to now is 157.0 secs Computing kpt #: 259 total cpu time spent up to now is 157.6 secs Computing kpt #: 260 total cpu time spent up to now is 158.1 secs Computing kpt #: 261 total cpu time spent up to now is 158.6 secs Computing kpt #: 262 total cpu time spent up to now is 159.2 secs Computing kpt #: 263 total cpu time spent up to now is 159.7 secs Computing kpt #: 264 total cpu time spent up to now is 160.2 secs Computing kpt #: 265 total cpu time spent up to now is 160.8 secs Computing kpt #: 266 total cpu time spent up to now is 161.4 secs Computing kpt #: 267 total cpu time spent up to now is 162.0 secs Computing kpt #: 268 total cpu time spent up to now is 162.6 secs Computing kpt #: 269 total cpu time spent up to now is 163.2 secs Computing kpt #: 270 total cpu time spent up to now is 163.8 secs Computing kpt #: 271 total cpu time spent up to now is 164.4 secs Computing kpt #: 272 total cpu time spent up to now is 165.0 secs Computing kpt #: 273 total cpu time spent up to now is 165.6 secs Computing kpt #: 274 total cpu time spent up to now is 166.2 secs Computing kpt #: 275 total cpu time spent up to now is 166.8 secs Computing kpt #: 276 total cpu time spent up to now is 167.4 secs Computing kpt #: 277 total cpu time spent up to now is 168.0 secs Computing kpt #: 278 total cpu time spent up to now is 168.6 secs Computing kpt #: 279 total cpu time spent up to now is 169.1 secs Computing kpt #: 280 total cpu time spent up to now is 169.7 secs Computing kpt #: 281 total cpu time spent up to now is 170.3 secs Computing kpt #: 282 total cpu time spent up to now is 170.9 secs Computing kpt #: 283 total cpu time spent up to now is 171.4 secs Computing kpt #: 284 total cpu time spent up to now is 172.0 secs Computing kpt #: 285 total cpu time spent up to now is 172.6 secs Computing kpt #: 286 total cpu time spent up to now is 173.2 secs Computing kpt #: 287 total cpu time spent up to now is 173.8 secs Computing kpt #: 288 total cpu time spent up to now is 174.4 secs Computing kpt #: 289 total cpu time spent up to now is 175.0 secs Computing kpt #: 290 total cpu time spent up to now is 175.6 secs Computing kpt #: 291 total cpu time spent up to now is 176.2 secs Computing kpt #: 292 total cpu time spent up to now is 176.7 secs Computing kpt #: 293 total cpu time spent up to now is 177.3 secs Computing kpt #: 294 total cpu time spent up to now is 177.8 secs Computing kpt #: 295 total cpu time spent up to now is 178.3 secs Computing kpt #: 296 total cpu time spent up to now is 178.9 secs Computing kpt #: 297 total cpu time spent up to now is 179.5 secs Computing kpt #: 298 total cpu time spent up to now is 180.2 secs Computing kpt #: 299 total cpu time spent up to now is 180.9 secs Computing kpt #: 300 total cpu time spent up to now is 181.5 secs Computing kpt #: 301 total cpu time spent up to now is 182.2 secs Computing kpt #: 302 total cpu time spent up to now is 182.9 secs Computing kpt #: 303 total cpu time spent up to now is 183.7 secs Computing kpt #: 304 total cpu time spent up to now is 184.3 secs Computing kpt #: 305 total cpu time spent up to now is 184.9 secs Computing kpt #: 306 total cpu time spent up to now is 185.6 secs Computing kpt #: 307 total cpu time spent up to now is 186.2 secs Computing kpt #: 308 total cpu time spent up to now is 186.8 secs Computing kpt #: 309 total cpu time spent up to now is 187.4 secs Computing kpt #: 310 total cpu time spent up to now is 188.1 secs Computing kpt #: 311 total cpu time spent up to now is 188.7 secs Computing kpt #: 312 total cpu time spent up to now is 189.5 secs Computing kpt #: 313 total cpu time spent up to now is 190.3 secs Computing kpt #: 314 total cpu time spent up to now is 191.1 secs Computing kpt #: 315 total cpu time spent up to now is 192.0 secs Computing kpt #: 316 total cpu time spent up to now is 192.9 secs Computing kpt #: 317 total cpu time spent up to now is 193.9 secs Computing kpt #: 318 total cpu time spent up to now is 194.9 secs Computing kpt #: 319 total cpu time spent up to now is 195.9 secs Computing kpt #: 320 total cpu time spent up to now is 196.5 secs Computing kpt #: 321 total cpu time spent up to now is 197.1 secs Computing kpt #: 322 total cpu time spent up to now is 197.7 secs Computing kpt #: 323 total cpu time spent up to now is 198.2 secs Computing kpt #: 324 total cpu time spent up to now is 198.7 secs Computing kpt #: 325 total cpu time spent up to now is 199.2 secs Computing kpt #: 326 total cpu time spent up to now is 199.7 secs Computing kpt #: 327 total cpu time spent up to now is 200.2 secs Computing kpt #: 328 total cpu time spent up to now is 200.8 secs Computing kpt #: 329 total cpu time spent up to now is 201.3 secs Computing kpt #: 330 total cpu time spent up to now is 201.8 secs Computing kpt #: 331 total cpu time spent up to now is 202.3 secs Computing kpt #: 332 total cpu time spent up to now is 202.9 secs Computing kpt #: 333 total cpu time spent up to now is 203.5 secs Computing kpt #: 334 total cpu time spent up to now is 204.1 secs Computing kpt #: 335 total cpu time spent up to now is 204.7 secs Computing kpt #: 336 total cpu time spent up to now is 205.3 secs Computing kpt #: 337 total cpu time spent up to now is 205.8 secs Computing kpt #: 338 total cpu time spent up to now is 206.5 secs Computing kpt #: 339 total cpu time spent up to now is 207.1 secs Computing kpt #: 340 total cpu time spent up to now is 207.8 secs Computing kpt #: 341 total cpu time spent up to now is 208.5 secs Computing kpt #: 342 total cpu time spent up to now is 209.2 secs Computing kpt #: 343 total cpu time spent up to now is 210.0 secs Computing kpt #: 344 total cpu time spent up to now is 210.8 secs Computing kpt #: 345 total cpu time spent up to now is 211.5 secs Computing kpt #: 346 total cpu time spent up to now is 212.3 secs Computing kpt #: 347 total cpu time spent up to now is 213.1 secs Computing kpt #: 348 total cpu time spent up to now is 213.8 secs Computing kpt #: 349 total cpu time spent up to now is 214.6 secs Computing kpt #: 350 total cpu time spent up to now is 215.4 secs Computing kpt #: 351 total cpu time spent up to now is 216.2 secs Computing kpt #: 352 total cpu time spent up to now is 217.0 secs Computing kpt #: 353 total cpu time spent up to now is 217.8 secs Computing kpt #: 354 total cpu time spent up to now is 218.6 secs Computing kpt #: 355 total cpu time spent up to now is 219.4 secs Computing kpt #: 356 total cpu time spent up to now is 220.3 secs Computing kpt #: 357 total cpu time spent up to now is 221.1 secs Computing kpt #: 358 total cpu time spent up to now is 221.9 secs Computing kpt #: 359 total cpu time spent up to now is 222.6 secs Computing kpt #: 360 total cpu time spent up to now is 223.5 secs Computing kpt #: 361 total cpu time spent up to now is 224.2 secs Computing kpt #: 362 total cpu time spent up to now is 224.9 secs Computing kpt #: 363 total cpu time spent up to now is 225.6 secs Computing kpt #: 364 total cpu time spent up to now is 226.3 secs Computing kpt #: 365 total cpu time spent up to now is 227.0 secs Computing kpt #: 366 total cpu time spent up to now is 227.7 secs Computing kpt #: 367 total cpu time spent up to now is 228.4 secs Computing kpt #: 368 total cpu time spent up to now is 229.0 secs Computing kpt #: 369 total cpu time spent up to now is 229.6 secs Computing kpt #: 370 total cpu time spent up to now is 230.1 secs Computing kpt #: 371 total cpu time spent up to now is 230.7 secs Computing kpt #: 372 total cpu time spent up to now is 231.2 secs Computing kpt #: 373 total cpu time spent up to now is 231.8 secs Computing kpt #: 374 total cpu time spent up to now is 232.4 secs Computing kpt #: 375 total cpu time spent up to now is 233.1 secs Computing kpt #: 376 total cpu time spent up to now is 233.8 secs Computing kpt #: 377 total cpu time spent up to now is 234.6 secs Computing kpt #: 378 total cpu time spent up to now is 235.4 secs Computing kpt #: 379 total cpu time spent up to now is 236.2 secs Computing kpt #: 380 total cpu time spent up to now is 237.1 secs Computing kpt #: 381 total cpu time spent up to now is 237.9 secs Computing kpt #: 382 total cpu time spent up to now is 238.7 secs Computing kpt #: 383 total cpu time spent up to now is 239.5 secs Computing kpt #: 384 total cpu time spent up to now is 240.1 secs Computing kpt #: 385 total cpu time spent up to now is 240.8 secs Computing kpt #: 386 total cpu time spent up to now is 241.4 secs Computing kpt #: 387 total cpu time spent up to now is 242.0 secs Computing kpt #: 388 total cpu time spent up to now is 242.6 secs Computing kpt #: 389 total cpu time spent up to now is 243.2 secs Computing kpt #: 390 total cpu time spent up to now is 243.8 secs Computing kpt #: 391 total cpu time spent up to now is 244.4 secs Computing kpt #: 392 total cpu time spent up to now is 245.1 secs Computing kpt #: 393 total cpu time spent up to now is 245.7 secs Computing kpt #: 394 total cpu time spent up to now is 246.6 secs Computing kpt #: 395 total cpu time spent up to now is 247.3 secs Computing kpt #: 396 total cpu time spent up to now is 248.1 secs Computing kpt #: 397 total cpu time spent up to now is 248.9 secs Computing kpt #: 398 total cpu time spent up to now is 249.7 secs Computing kpt #: 399 total cpu time spent up to now is 250.5 secs Computing kpt #: 400 total cpu time spent up to now is 251.4 secs ethr = 2.38E-08, avg # of iterations = 27.2 total cpu time spent up to now is 251.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3787 PWs) bands (ev): -0.8439 -0.8439 -0.4916 -0.4916 0.6848 0.6848 1.1732 1.1732 1.1879 1.1879 1.5915 1.5915 3.0085 3.0085 3.4033 3.4033 3.4985 3.4985 4.0235 4.0235 4.1730 4.1730 4.2922 4.2922 5.3259 5.3259 5.4365 5.4365 5.5902 5.5902 5.6939 5.6939 5.8092 5.8092 5.9607 5.9607 6.2885 6.2885 6.4229 6.4229 6.6184 6.6184 6.9174 6.9174 7.0577 7.0577 7.0894 7.0894 7.7219 7.7219 k = 0.0113 0.0161-0.0000 ( 3791 PWs) bands (ev): -0.8438 -0.8438 -0.4915 -0.4915 0.6859 0.6859 1.1735 1.1735 1.1883 1.1883 1.5916 1.5916 3.0082 3.0082 3.4028 3.4028 3.4987 3.4987 4.0239 4.0239 4.1730 4.1730 4.2920 4.2920 5.3228 5.3228 5.4346 5.4346 5.5903 5.5903 5.6937 5.6937 5.8079 5.8079 5.9596 5.9596 6.2878 6.2878 6.4220 6.4220 6.6127 6.6127 6.8665 6.8665 7.0666 7.0666 7.1263 7.1263 7.7323 7.7323 k = 0.0226 0.0322-0.0000 ( 3789 PWs) bands (ev): -0.8438 -0.8438 -0.4913 -0.4913 0.6891 0.6891 1.1745 1.1745 1.1894 1.1894 1.5918 1.5918 3.0072 3.0072 3.4012 3.4012 3.4994 3.4994 4.0250 4.0250 4.1732 4.1732 4.2914 4.2914 5.3136 5.3136 5.4288 5.4288 5.5904 5.5904 5.6933 5.6933 5.8041 5.8041 5.9564 5.9564 6.2854 6.2854 6.4192 6.4192 6.5957 6.5957 6.7847 6.7847 7.0349 7.0349 7.2283 7.2283 7.7605 7.7605 k = 0.0340 0.0483-0.0000 ( 3791 PWs) bands (ev): -0.8437 -0.8437 -0.4909 -0.4909 0.6944 0.6944 1.1762 1.1762 1.1913 1.1913 1.5921 1.5921 3.0055 3.0055 3.3986 3.3986 3.5006 3.5006 4.0268 4.0268 4.1734 4.1734 4.2904 4.2904 5.2982 5.2982 5.4189 5.4189 5.5907 5.5907 5.6925 5.6925 5.7980 5.7980 5.9513 5.9513 6.2813 6.2813 6.4140 6.4140 6.5678 6.5678 6.7063 6.7063 6.9895 6.9895 7.3435 7.3435 7.8012 7.8012 k = 0.0453 0.0644-0.0000 ( 3799 PWs) bands (ev): -0.8437 -0.8437 -0.4905 -0.4905 0.7017 0.7017 1.1783 1.1783 1.1941 1.1941 1.5925 1.5925 3.0031 3.0031 3.3948 3.3948 3.5022 3.5022 4.0293 4.0293 4.1738 4.1738 4.2890 4.2890 5.2768 5.2768 5.4047 5.4047 5.5912 5.5912 5.6914 5.6914 5.7898 5.7898 5.9444 5.9444 6.2748 6.2748 6.4058 6.4058 6.5301 6.5301 6.6376 6.6376 6.9401 6.9401 7.4643 7.4643 7.8503 7.8503 k = 0.0566 0.0805-0.0000 ( 3795 PWs) bands (ev): -0.8436 -0.8436 -0.4898 -0.4898 0.7110 0.7110 1.1809 1.1809 1.1981 1.1981 1.5931 1.5931 2.9999 2.9999 3.3900 3.3900 3.5042 3.5042 4.0325 4.0325 4.1742 4.1742 4.2872 4.2872 5.2494 5.2494 5.3855 5.3855 5.5919 5.5919 5.6898 5.6898 5.7800 5.7800 5.9360 5.9360 6.2653 6.2653 6.3937 6.3937 6.4841 6.4841 6.5816 6.5816 6.8922 6.8922 7.5875 7.5875 7.9059 7.9059 k = 0.0679 0.0966-0.0000 ( 3795 PWs) bands (ev): -0.8434 -0.8434 -0.4891 -0.4891 0.7220 0.7220 1.1837 1.1837 1.2035 1.2035 1.5937 1.5937 2.9958 2.9958 3.3841 3.3841 3.5067 3.5067 4.0364 4.0364 4.1748 4.1748 4.2849 4.2849 5.2164 5.2164 5.3612 5.3612 5.5930 5.5930 5.6878 5.6878 5.7690 5.7690 5.9264 5.9264 6.2518 6.2518 6.3771 6.3771 6.4331 6.4331 6.5397 6.5397 6.8485 6.8485 7.7104 7.7104 7.9674 7.9674 k = 0.0792 0.1127-0.0000 ( 3791 PWs) bands (ev): -0.8433 -0.8433 -0.4882 -0.4882 0.7346 0.7346 1.1867 1.1867 1.2104 1.2104 1.5945 1.5945 2.9909 2.9909 3.3770 3.3770 3.5095 3.5095 4.0410 4.0410 4.1754 4.1754 4.2821 4.2821 5.1785 5.1785 5.3312 5.3312 5.5944 5.5944 5.6850 5.6850 5.7575 5.7575 5.9159 5.9159 6.2334 6.2334 6.3528 6.3528 6.3850 6.3850 6.5110 6.5110 6.8095 6.8096 7.8298 7.8298 8.0343 8.0343 k = 0.0906 0.1288-0.0000 ( 3795 PWs) bands (ev): -0.8431 -0.8431 -0.4873 -0.4873 0.7486 0.7486 1.1899 1.1899 1.2191 1.2191 1.5954 1.5954 2.9849 2.9849 3.3688 3.3688 3.5126 3.5126 4.0462 4.0462 4.1761 4.1761 4.2788 4.2788 5.1366 5.1366 5.2955 5.2955 5.5961 5.5961 5.6812 5.6812 5.7462 5.7462 5.9045 5.9045 6.2103 6.2103 6.3096 6.3096 6.3567 6.3567 6.4918 6.4918 6.7749 6.7749 7.9410 7.9410 8.1068 8.1068 k = 0.1019 0.1449-0.0000 ( 3797 PWs) bands (ev): -0.8430 -0.8430 -0.4862 -0.4862 0.7638 0.7638 1.1933 1.1933 1.2297 1.2297 1.5964 1.5964 2.9778 2.9778 3.3594 3.3594 3.5159 3.5159 4.0519 4.0519 4.1769 4.1769 4.2749 4.2749 5.0915 5.0915 5.2541 5.2541 5.5983 5.5983 5.6759 5.6759 5.7359 5.7359 5.8927 5.8927 6.1839 6.1839 6.2586 6.2586 6.3410 6.3410 6.4788 6.4788 6.7440 6.7440 8.0383 8.0383 8.1856 8.1856 k = 0.1132 0.1610-0.0000 ( 3801 PWs) bands (ev): -0.8428 -0.8428 -0.4851 -0.4851 0.7798 0.7798 1.1968 1.1968 1.2425 1.2425 1.5975 1.5975 2.9695 2.9695 3.3487 3.3487 3.5195 3.5195 4.0582 4.0582 4.1778 4.1778 4.2705 4.2705 5.0445 5.0445 5.2072 5.2072 5.6007 5.6007 5.6685 5.6685 5.7273 5.7273 5.8805 5.8805 6.1558 6.1558 6.2100 6.2100 6.3296 6.3296 6.4692 6.4692 6.7161 6.7161 8.1158 8.1158 8.2714 8.2714 k = 0.1245 0.1771-0.0000 ( 3805 PWs) bands (ev): -0.8426 -0.8426 -0.4839 -0.4839 0.7964 0.7964 1.2005 1.2005 1.2575 1.2575 1.5987 1.5987 2.9600 2.9600 3.3369 3.3369 3.5232 3.5232 4.0650 4.0650 4.1787 4.1787 4.2655 4.2655 4.9967 4.9967 5.1554 5.1554 5.6034 5.6034 5.6588 5.6588 5.7208 5.7208 5.8685 5.8685 6.1275 6.1275 6.1658 6.1658 6.3207 6.3207 6.4617 6.4617 6.6906 6.6906 8.1715 8.1715 8.3629 8.3629 k = 0.1358 0.1932-0.0000 ( 3799 PWs) bands (ev): -0.8423 -0.8423 -0.4826 -0.4826 0.8132 0.8132 1.2043 1.2043 1.2751 1.2751 1.6000 1.6000 2.9492 2.9492 3.3237 3.3237 3.5269 3.5269 4.0722 4.0722 4.1795 4.1795 4.2602 4.2602 4.9491 4.9491 5.0995 5.0995 5.6060 5.6060 5.6472 5.6472 5.7162 5.7162 5.8567 5.8567 6.0996 6.0996 6.1268 6.1268 6.3132 6.3132 6.4555 6.4555 6.6671 6.6671 8.2068 8.2068 8.4581 8.4581 k = 0.1471 0.2093-0.0000 ( 3799 PWs) bands (ev): -0.8421 -0.8421 -0.4813 -0.4813 0.8300 0.8300 1.2083 1.2083 1.2954 1.2954 1.6014 1.6014 2.9371 2.9371 3.3093 3.3093 3.5306 3.5306 4.0798 4.0798 4.1802 4.1802 4.2545 4.2545 4.9027 4.9027 5.0404 5.0404 5.6078 5.6078 5.6350 5.6350 5.7131 5.7131 5.8457 5.8457 6.0725 6.0725 6.0927 6.0927 6.3068 6.3068 6.4499 6.4499 6.6454 6.6454 8.2245 8.2245 8.5558 8.5558 k = 0.1585 0.2254-0.0000 ( 3797 PWs) bands (ev): -0.8419 -0.8419 -0.4799 -0.4799 0.8463 0.8463 1.2124 1.2124 1.3186 1.3186 1.6029 1.6029 2.9236 2.9236 3.2935 3.2935 3.5343 3.5343 4.0876 4.0876 4.1806 4.1806 4.2488 4.2488 4.8583 4.8583 4.9791 4.9791 5.6055 5.6055 5.6261 5.6261 5.7112 5.7112 5.8354 5.8354 6.0464 6.0464 6.0631 6.0631 6.3010 6.3010 6.4449 6.4449 6.6250 6.6250 8.2275 8.2275 8.6561 8.6561 k = 0.1698 0.2415-0.0000 ( 3788 PWs) bands (ev): -0.8416 -0.8416 -0.4785 -0.4785 0.8619 0.8619 1.2167 1.2167 1.3449 1.3449 1.6045 1.6045 2.9088 2.9088 3.2763 3.2763 3.5377 3.5377 4.0955 4.0955 4.1804 4.1804 4.2435 4.2435 4.8164 4.8164 4.9166 4.9166 5.5950 5.5950 5.6251 5.6251 5.7102 5.7102 5.8260 5.8260 6.0216 6.0216 6.0372 6.0372 6.2959 6.2959 6.4402 6.4402 6.6058 6.6058 8.2187 8.2187 8.7590 8.7590 k = 0.1811 0.2576-0.0000 ( 3792 PWs) bands (ev): -0.8414 -0.8414 -0.4771 -0.4771 0.8766 0.8766 1.2210 1.2210 1.3742 1.3742 1.6063 1.6063 2.8928 2.8928 3.2577 3.2577 3.5409 3.5409 4.1035 4.1035 4.1794 4.1794 4.2390 4.2390 4.7775 4.7775 4.8540 4.8540 5.5806 5.5806 5.6281 5.6281 5.7096 5.7096 5.8175 5.8175 5.9983 5.9983 6.0139 6.0139 6.2911 6.2911 6.4357 6.4357 6.5876 6.5876 8.2000 8.2000 8.8645 8.8645 k = 0.1924 0.2737-0.0000 ( 3792 PWs) bands (ev): -0.8411 -0.8411 -0.4757 -0.4757 0.8902 0.8902 1.2253 1.2253 1.4065 1.4065 1.6083 1.6083 2.8757 2.8757 3.2378 3.2378 3.5438 3.5438 4.1112 4.1112 4.1772 4.1772 4.2360 4.2360 4.7416 4.7416 4.7920 4.7920 5.5654 5.5654 5.6324 5.6324 5.7095 5.7095 5.8097 5.8097 5.9767 5.9767 5.9927 5.9927 6.2868 6.2868 6.4313 6.4313 6.5703 6.5703 8.1730 8.1730 8.9725 8.9725 k = 0.2037 0.2898-0.0000 ( 3790 PWs) bands (ev): -0.8408 -0.8408 -0.4743 -0.4743 0.9027 0.9027 1.2297 1.2297 1.4415 1.4415 1.6106 1.6106 2.8578 2.8578 3.2165 3.2165 3.5463 3.5463 4.1186 4.1186 4.1737 4.1737 4.2349 4.2349 4.7088 4.7088 4.7315 4.7315 5.5504 5.5504 5.6374 5.6374 5.7097 5.7097 5.8022 5.8022 5.9566 5.9566 5.9731 5.9731 6.2828 6.2828 6.4271 6.4271 6.5537 6.5537 8.1387 8.1387 9.0829 9.0829 k = 0.2151 0.3060-0.0000 ( 3794 PWs) bands (ev): -0.8406 -0.8406 -0.4729 -0.4729 0.9140 0.9140 1.2341 1.2341 1.4787 1.4787 1.6136 1.6136 2.8393 2.8393 3.1938 3.1938 3.5483 3.5483 4.1253 4.1253 4.1692 4.1692 4.2357 4.2357 4.6731 4.6731 4.6793 4.6793 5.5360 5.5360 5.6427 5.6427 5.7102 5.7102 5.7949 5.7949 5.9383 5.9383 5.9547 5.9547 6.2792 6.2792 6.4230 6.4230 6.5378 6.5378 8.0977 8.0977 9.1956 9.1956 k = 0.2264 0.3221-0.0000 ( 3792 PWs) bands (ev): -0.8403 -0.8403 -0.4715 -0.4715 0.9241 0.9241 1.2384 1.2384 1.5169 1.5169 1.6181 1.6181 2.8206 2.8206 3.1697 3.1697 3.5500 3.5500 4.1310 4.1310 4.1642 4.1642 4.2383 4.2383 4.6179 4.6179 4.6524 4.6524 5.5222 5.5222 5.6484 5.6484 5.7108 5.7108 5.7873 5.7873 5.9219 5.9219 5.9374 5.9374 6.2761 6.2761 6.4189 6.4189 6.5225 6.5225 8.0507 8.0507 9.3105 9.3105 k = 0.2377 0.3382-0.0000 ( 3792 PWs) bands (ev): -0.8400 -0.8400 -0.4702 -0.4702 0.9331 0.9331 1.2426 1.2426 1.5535 1.5535 1.6265 1.6265 2.8020 2.8020 3.1444 3.1444 3.5511 3.5511 4.1352 4.1352 4.1594 4.1594 4.2424 4.2424 4.5660 4.5660 4.6282 4.6282 5.5092 5.5092 5.6543 5.6543 5.7115 5.7115 5.7792 5.7792 5.9076 5.9076 5.9208 5.9208 6.2734 6.2734 6.4149 6.4149 6.5078 6.5078 7.9980 7.9980 9.4273 9.4273 k = 0.2490 0.3543-0.0000 ( 3798 PWs) bands (ev): -0.8397 -0.8397 -0.4690 -0.4690 0.9411 0.9411 1.2467 1.2467 1.5815 1.5815 1.6450 1.6450 2.7842 2.7842 3.1180 3.1180 3.5517 3.5517 4.1372 4.1372 4.1556 4.1556 4.2477 4.2477 4.5183 4.5183 4.6064 4.6064 5.4968 5.4968 5.6605 5.6605 5.7123 5.7123 5.7704 5.7704 5.8955 5.8955 5.9048 5.9048 6.2711 6.2711 6.4110 6.4110 6.4935 6.4935 7.9401 7.9401 9.5458 9.5458 k = 0.2603 0.3704-0.0000 ( 3806 PWs) bands (ev): -0.8395 -0.8395 -0.4678 -0.4678 0.9481 0.9481 1.2506 1.2506 1.5960 1.5960 1.6782 1.6782 2.7678 2.7678 3.0905 3.0905 3.5518 3.5518 4.1367 4.1367 4.1530 4.1530 4.2540 4.2540 4.4754 4.4754 4.5868 4.5868 5.4848 5.4848 5.6668 5.6668 5.7131 5.7131 5.7609 5.7609 5.8857 5.8857 5.8894 5.8894 6.2693 6.2693 6.4071 6.4071 6.4797 6.4797 7.8773 7.8773 9.6656 9.6656 k = 0.2717 0.3865-0.0000 ( 3792 PWs) bands (ev): -0.8392 -0.8392 -0.4666 -0.4666 0.9542 0.9542 1.2544 1.2544 1.6026 1.6026 1.7196 1.7196 2.7532 2.7532 3.0621 3.0621 3.5513 3.5513 4.1345 4.1345 4.1505 4.1505 4.2610 4.2610 4.4379 4.4379 4.5691 4.5691 5.4729 5.4729 5.6731 5.6731 5.7137 5.7137 5.7512 5.7512 5.8742 5.8742 5.8784 5.8784 6.2679 6.2679 6.4032 6.4032 6.4663 6.4663 7.8101 7.8101 9.7864 9.7864 k = 0.2830 0.4026-0.0000 ( 3792 PWs) bands (ev): -0.8390 -0.8390 -0.4655 -0.4655 0.9596 0.9596 1.2580 1.2580 1.6063 1.6063 1.7636 1.7636 2.7415 2.7415 3.0330 3.0330 3.5503 3.5503 4.1318 4.1318 4.1466 4.1466 4.2686 4.2686 4.4065 4.4065 4.5532 4.5532 5.4608 5.4608 5.6790 5.6790 5.7135 5.7135 5.7424 5.7424 5.8597 5.8597 5.8727 5.8727 6.2670 6.2670 6.3992 6.3992 6.4533 6.4533 7.7391 7.7391 9.9075 9.9075 k = 0.2943 0.4187-0.0000 ( 3784 PWs) bands (ev): -0.8387 -0.8387 -0.4645 -0.4645 0.9643 0.9643 1.2613 1.2613 1.6087 1.6087 1.8077 1.8077 2.7333 2.7333 3.0034 3.0034 3.5488 3.5488 4.1289 4.1289 4.1404 4.1404 4.2765 4.2765 4.3818 4.3818 4.5390 4.5390 5.4480 5.4480 5.6838 5.6838 5.7113 5.7113 5.7365 5.7365 5.8456 5.8456 5.8687 5.8687 6.2664 6.2664 6.3952 6.3952 6.4409 6.4409 7.6649 7.6649 10.0279 10.0279 k = 0.3056 0.4348-0.0000 ( 3792 PWs) bands (ev): -0.8385 -0.8385 -0.4636 -0.4636 0.9684 0.9684 1.2644 1.2644 1.6106 1.6106 1.8504 1.8504 2.7295 2.7295 2.9735 2.9735 3.5466 3.5466 4.1243 4.1243 4.1333 4.1333 4.2848 4.2848 4.3637 4.3637 4.5263 4.5263 5.4341 5.4341 5.6862 5.6862 5.7071 5.7071 5.7355 5.7355 5.8322 5.8322 5.8661 5.8661 6.2663 6.2663 6.3909 6.3909 6.4290 6.4290 7.5883 7.5883 10.1459 10.1459 k = 0.3169 0.4509-0.0000 ( 3784 PWs) bands (ev): -0.8383 -0.8383 -0.4627 -0.4627 0.9719 0.9719 1.2672 1.2672 1.6120 1.6120 1.8905 1.8905 2.7310 2.7310 2.9436 2.9436 3.5439 3.5439 4.1138 4.1138 4.1298 4.1298 4.2935 4.2935 4.3518 4.3518 4.5152 4.5152 5.4185 5.4185 5.6838 5.6838 5.7042 5.7042 5.7384 5.7384 5.8195 5.8195 5.8645 5.8645 6.2664 6.2664 6.3860 6.3860 6.4180 6.4180 7.5102 7.5102 10.2587 10.2587 k = 0.3282 0.4670-0.0000 ( 3800 PWs) bands (ev): -0.8380 -0.8380 -0.4620 -0.4620 0.9750 0.9750 1.2698 1.2698 1.6132 1.6132 1.9268 1.9268 2.7386 2.7386 2.9139 2.9139 3.5404 3.5404 4.0993 4.0993 4.1289 4.1289 4.3028 4.3028 4.3449 4.3449 4.5055 4.5055 5.4009 5.4009 5.6772 5.6772 5.7036 5.7036 5.7432 5.7432 5.8083 5.8083 5.8637 5.8637 6.2666 6.2666 6.3801 6.3801 6.4083 6.4083 7.4314 7.4314 10.3617 10.3617 k = 0.3396 0.4831-0.0000 ( 3808 PWs) bands (ev): -0.8378 -0.8378 -0.4613 -0.4613 0.9777 0.9777 1.2721 1.2721 1.6142 1.6142 1.9587 1.9587 2.7528 2.7528 2.8847 2.8847 3.5363 3.5363 4.0832 4.0832 4.1290 4.1290 4.3129 4.3129 4.3419 4.3419 4.4972 4.4972 5.3807 5.3807 5.6692 5.6692 5.7036 5.7036 5.7481 5.7481 5.7995 5.7995 5.8635 5.8635 6.2668 6.2668 6.3728 6.3728 6.4003 6.4003 7.3530 7.3530 10.4495 10.4495 k = 0.3509 0.4992-0.0000 ( 3808 PWs) bands (ev): -0.8376 -0.8376 -0.4606 -0.4606 0.9799 0.9799 1.2741 1.2741 1.6150 1.6150 1.9856 1.9856 2.7739 2.7739 2.8562 2.8562 3.5313 3.5313 4.0665 4.0665 4.1298 4.1298 4.3239 4.3239 4.3416 4.3416 4.4902 4.4902 5.3576 5.3576 5.6614 5.6614 5.7031 5.7031 5.7504 5.7504 5.7953 5.7953 5.8639 5.8639 6.2666 6.2666 6.3641 6.3641 6.3942 6.3942 7.2762 7.2762 10.5189 10.5189 k = 0.3622 0.5153-0.0000 ( 3798 PWs) bands (ev): -0.8375 -0.8375 -0.4601 -0.4601 0.9818 0.9818 1.2758 1.2758 1.6157 1.6157 2.0074 2.0074 2.8018 2.8018 2.8287 2.8287 3.5254 3.5254 4.0502 4.0502 4.1311 4.1311 4.3350 4.3350 4.3444 4.3444 4.4846 4.4846 5.3312 5.3312 5.6543 5.6543 5.7021 5.7021 5.7480 5.7480 5.7974 5.7974 5.8649 5.8649 6.2655 6.2655 6.3544 6.3544 6.3896 6.3896 7.2018 7.2018 10.5735 10.5735 k = 0.3735 0.5314-0.0000 ( 3798 PWs) bands (ev): -0.8373 -0.8373 -0.4596 -0.4596 0.9835 0.9835 1.2772 1.2772 1.6163 1.6163 2.0243 2.0243 2.8023 2.8023 2.8358 2.8358 3.5186 3.5186 4.0346 4.0346 4.1327 4.1327 4.3410 4.3410 4.3550 4.3550 4.4801 4.4801 5.3013 5.3013 5.6482 5.6482 5.7004 5.7004 5.7421 5.7421 5.8045 5.8045 5.8665 5.8665 6.2631 6.2631 6.3447 6.3447 6.3860 6.3860 7.1312 7.1312 10.6203 10.6203 k = 0.3735 0.5314-0.0000 ( 3798 PWs) bands (ev): -0.8373 -0.8373 -0.4596 -0.4596 0.9835 0.9835 1.2772 1.2772 1.6163 1.6163 2.0243 2.0243 2.8023 2.8023 2.8358 2.8358 3.5186 3.5186 4.0346 4.0346 4.1327 4.1327 4.3410 4.3410 4.3550 4.3550 4.4801 4.4801 5.3013 5.3013 5.6482 5.6482 5.7004 5.7004 5.7421 5.7421 5.8045 5.8045 5.8665 5.8665 6.2631 6.2631 6.3447 6.3447 6.3860 6.3860 7.1312 7.1312 10.6203 10.6203 k = 0.3539 0.5314-0.0000 ( 3796 PWs) bands (ev): -0.8374 -0.8374 -0.4599 -0.4599 0.9824 0.9824 1.2762 1.2762 1.6159 1.6159 2.0130 2.0130 2.7794 2.7794 2.8561 2.8561 3.5226 3.5226 4.0438 4.0438 4.1317 4.1317 4.3350 4.3350 4.3522 4.3522 4.4832 4.4832 5.3183 5.3183 5.6517 5.6517 5.7014 5.7014 5.7460 5.7460 5.8010 5.8010 5.8661 5.8661 6.2647 6.2647 6.3486 6.3486 6.3899 6.3899 7.1727 7.1727 10.5486 10.5486 k = 0.3342 0.5314-0.0000 ( 3791 PWs) bands (ev): -0.8375 -0.8375 -0.4603 -0.4603 0.9810 0.9810 1.2748 1.2748 1.6153 1.6153 1.9973 1.9973 2.7376 2.7376 2.9012 2.9012 3.5263 3.5263 4.0538 4.0538 4.1308 4.1308 4.3265 4.3265 4.3548 4.3548 4.4881 4.4881 5.3323 5.3323 5.6556 5.6556 5.7018 5.7018 5.7498 5.7498 5.8009 5.8009 5.8675 5.8675 6.2657 6.2657 6.3494 6.3494 6.3974 6.3974 7.2188 7.2188 10.4102 10.4102 k = 0.3145 0.5314-0.0000 ( 3791 PWs) bands (ev): -0.8377 -0.8377 -0.4608 -0.4608 0.9792 0.9792 1.2730 1.2730 1.6146 1.6146 1.9789 1.9789 2.6955 2.6955 2.9505 2.9505 3.5298 3.5298 4.0644 4.0644 4.1301 4.1301 4.3193 4.3193 4.3587 4.3587 4.4950 4.4950 5.3429 5.3429 5.6596 5.6596 5.7010 5.7010 5.7533 5.7533 5.8042 5.8042 5.8714 5.8714 6.2664 6.2664 6.3481 6.3481 6.4072 6.4072 7.2692 7.2692 10.2449 10.2449 k = 0.2949 0.5314-0.0000 ( 3783 PWs) bands (ev): -0.8378 -0.8378 -0.4614 -0.4614 0.9771 0.9771 1.2708 1.2708 1.6137 1.6137 1.9591 1.9591 2.6544 2.6544 3.0011 3.0011 3.5333 3.5333 4.0753 4.0753 4.1296 4.1296 4.3141 4.3141 4.3633 4.3633 4.5041 4.5041 5.3498 5.3498 5.6633 5.6633 5.6993 5.6993 5.7569 5.7569 5.8098 5.8098 5.8790 5.8790 6.2668 6.2668 6.3458 6.3458 6.4181 6.4181 7.3237 7.3237 10.0730 10.0730 k = 0.2752 0.5314-0.0000 ( 3787 PWs) bands (ev): -0.8380 -0.8380 -0.4620 -0.4620 0.9748 0.9748 1.2683 1.2683 1.6126 1.6126 1.9391 1.9391 2.6146 2.6146 3.0511 3.0511 3.5371 3.5371 4.0859 4.0859 4.1296 4.1296 4.3108 4.3108 4.3686 4.3686 4.5159 4.5159 5.3532 5.3532 5.6659 5.6659 5.6974 5.6974 5.7610 5.7610 5.8153 5.8153 5.8917 5.8917 6.2672 6.2672 6.3429 6.3429 6.4293 6.4293 7.3814 7.3814 9.9028 9.9028 k = 0.2556 0.5314-0.0000 ( 3779 PWs) bands (ev): -0.8382 -0.8382 -0.4627 -0.4627 0.9722 0.9722 1.2655 1.2655 1.6113 1.6113 1.9197 1.9197 2.5766 2.5766 3.0989 3.0989 3.5413 3.5413 4.0954 4.0954 4.1304 4.1304 4.3092 4.3092 4.3741 4.3741 4.5310 4.5310 5.3531 5.3531 5.6663 5.6663 5.6967 5.6967 5.7656 5.7656 5.8195 5.8195 5.9101 5.9101 6.2676 6.2676 6.3397 6.3397 6.4406 6.4406 7.4411 7.4411 9.7391 9.7391 k = 0.2359 0.5314-0.0000 ( 3780 PWs) bands (ev): -0.8383 -0.8383 -0.4635 -0.4635 0.9694 0.9694 1.2625 1.2625 1.6100 1.6100 1.9013 1.9013 2.5405 2.5405 3.1433 3.1433 3.5460 3.5460 4.1031 4.1031 4.1323 4.1323 4.3092 4.3092 4.3798 4.3798 4.5502 4.5502 5.3500 5.3500 5.6642 5.6642 5.6982 5.6982 5.7706 5.7706 5.8220 5.8220 5.9337 5.9337 6.2681 6.2681 6.3364 6.3364 6.4519 6.4519 7.5010 7.5010 9.5857 9.5857 k = 0.2163 0.5314-0.0000 ( 3776 PWs) bands (ev): -0.8385 -0.8385 -0.4642 -0.4642 0.9664 0.9664 1.2593 1.2593 1.6085 1.6085 1.8842 1.8842 2.5066 2.5066 3.1834 3.1834 3.5514 3.5514 4.1083 4.1083 4.1356 4.1356 4.3107 4.3107 4.3850 4.3850 4.5739 4.5739 5.3441 5.3441 5.6600 5.6600 5.7015 5.7015 5.7756 5.7756 5.8232 5.8232 5.9615 5.9615 6.2688 6.2688 6.3330 6.3330 6.4630 6.4630 7.5584 7.5584 9.4462 9.4462 k = 0.1966 0.5314-0.0000 ( 3778 PWs) bands (ev): -0.8387 -0.8387 -0.4650 -0.4650 0.9634 0.9634 1.2561 1.2561 1.6070 1.6070 1.8688 1.8688 2.4750 2.4750 3.2186 3.2186 3.5576 3.5576 4.1112 4.1112 4.1398 4.1398 4.3134 4.3134 4.3896 4.3896 4.6024 4.6024 5.3357 5.3357 5.6549 5.6549 5.7059 5.7059 5.7805 5.7805 5.8237 5.8237 5.9924 5.9924 6.2698 6.2698 6.3298 6.3298 6.4741 6.4741 7.6097 7.6097 9.3251 9.3251 k = 0.1769 0.5314-0.0000 ( 3782 PWs) bands (ev): -0.8389 -0.8389 -0.4658 -0.4658 0.9603 0.9603 1.2529 1.2529 1.6055 1.6055 1.8550 1.8550 2.4460 2.4460 3.2486 3.2486 3.5644 3.5644 4.1127 4.1127 4.1440 4.1440 4.3171 4.3171 4.3931 4.3931 4.6355 4.6355 5.3249 5.3249 5.6495 5.6495 5.7109 5.7109 5.7851 5.7851 5.8239 5.8239 6.0254 6.0254 6.2712 6.2712 6.3268 6.3268 6.4852 6.4852 7.6505 7.6505 9.2276 9.2276 k = 0.1573 0.5314-0.0000 ( 3781 PWs) bands (ev): -0.8390 -0.8390 -0.4665 -0.4665 0.9573 0.9573 1.2498 1.2498 1.6040 1.6040 1.8429 1.8429 2.4197 2.4197 3.2737 3.2737 3.5716 3.5716 4.1134 4.1134 4.1477 4.1477 4.3217 4.3217 4.3955 4.3955 4.6725 4.6725 5.3122 5.3122 5.6441 5.6441 5.7162 5.7162 5.7889 5.7889 5.8242 5.8242 6.0597 6.0597 6.2729 6.2729 6.3243 6.3243 6.4967 6.4967 7.6758 7.6758 9.1594 9.1594 k = 0.1376 0.5314-0.0000 ( 3788 PWs) bands (ev): -0.8392 -0.8392 -0.4672 -0.4672 0.9544 0.9544 1.2468 1.2468 1.6026 1.6026 1.8325 1.8325 2.3962 2.3962 3.2940 3.2940 3.5790 3.5790 4.1137 4.1137 4.1506 4.1506 4.3267 4.3267 4.3966 4.3966 4.7124 4.7124 5.2976 5.2976 5.6392 5.6392 5.7214 5.7214 5.7919 5.7919 5.8248 5.8248 6.0940 6.0940 6.2750 6.2750 6.3227 6.3227 6.5087 6.5087 7.6817 7.6817 9.1252 9.1252 k = 0.1180 0.5314-0.0000 ( 3783 PWs) bands (ev): -0.8393 -0.8393 -0.4678 -0.4678 0.9518 0.9518 1.2441 1.2441 1.6012 1.6012 1.8237 1.8237 2.3756 2.3756 3.3101 3.3101 3.5862 3.5862 4.1138 4.1138 4.1527 4.1527 4.3322 4.3322 4.3967 4.3967 4.7537 4.7537 5.2814 5.2814 5.6347 5.6347 5.7265 5.7265 5.7937 5.7937 5.8259 5.8259 6.1269 6.1269 6.2773 6.2773 6.3227 6.3227 6.5215 6.5215 7.6674 7.6674 9.1272 9.1272 k = 0.0983 0.5314-0.0000 ( 3780 PWs) bands (ev): -0.8394 -0.8394 -0.4684 -0.4684 0.9494 0.9494 1.2417 1.2417 1.6000 1.6000 1.8164 1.8164 2.3581 2.3581 3.3225 3.3225 3.5929 3.5929 4.1138 4.1138 4.1542 4.1542 4.3378 4.3378 4.3958 4.3958 4.7948 4.7948 5.2640 5.2640 5.6309 5.6309 5.7312 5.7312 5.7944 5.7944 5.8274 5.8274 6.1564 6.1564 6.2795 6.2795 6.3250 6.3250 6.5356 6.5356 7.6357 7.6357 9.1637 9.1637 k = 0.0786 0.5314-0.0000 ( 3792 PWs) bands (ev): -0.8396 -0.8396 -0.4688 -0.4688 0.9473 0.9473 1.2397 1.2397 1.5990 1.5990 1.8106 1.8106 2.3436 2.3436 3.3319 3.3319 3.5988 3.5988 4.1137 4.1137 4.1553 4.1553 4.3433 4.3433 4.3942 4.3942 4.8341 4.8341 5.2460 5.2460 5.6276 5.6276 5.7355 5.7355 5.7943 5.7943 5.8292 5.8292 6.1807 6.1807 6.2809 6.2809 6.3304 6.3304 6.5508 6.5508 7.5931 7.5931 9.2305 9.2305 k = 0.0590 0.5314-0.0000 ( 3784 PWs) bands (ev): -0.8396 -0.8396 -0.4692 -0.4692 0.9456 0.9456 1.2380 1.2380 1.5982 1.5982 1.8062 1.8062 2.3322 2.3322 3.3386 3.3386 3.6036 3.6036 4.1136 4.1136 4.1559 4.1559 4.3484 4.3484 4.3920 4.3920 4.8693 4.8693 5.2285 5.2285 5.6251 5.6251 5.7392 5.7392 5.7937 5.7937 5.8310 5.8310 6.1988 6.1988 6.2815 6.2815 6.3380 6.3380 6.5666 6.5666 7.5475 7.5475 9.3221 9.3221 k = 0.0393 0.5314-0.0000 ( 3786 PWs) bands (ev): -0.8397 -0.8397 -0.4695 -0.4695 0.9444 0.9444 1.2369 1.2369 1.5976 1.5976 1.8031 1.8031 2.3241 2.3241 3.3432 3.3432 3.6071 3.6071 4.1136 4.1136 4.1563 4.1563 4.3529 4.3529 4.3897 4.3897 4.8981 4.8981 5.2131 5.2131 5.6233 5.6233 5.7420 5.7420 5.7930 5.7930 5.8324 5.8324 6.2107 6.2107 6.2814 6.2814 6.3460 6.3460 6.5812 6.5812 7.5071 7.5071 9.4334 9.4334 k = 0.0197 0.5314-0.0000 ( 3788 PWs) bands (ev): -0.8397 -0.8397 -0.4697 -0.4697 0.9436 0.9436 1.2361 1.2361 1.5972 1.5972 1.8013 1.8013 2.3192 2.3192 3.3458 3.3458 3.6093 3.6093 4.1135 4.1135 4.1565 4.1565 4.3560 4.3560 4.3878 4.3878 4.9173 4.9173 5.2021 5.2021 5.6222 5.6222 5.7438 5.7438 5.7924 5.7924 5.8333 5.8333 6.2174 6.2174 6.2811 6.2811 6.3518 6.3518 6.5918 6.5918 7.4793 7.4793 9.5593 9.5593 k = 0.0000 0.5314-0.0000 ( 3782 PWs) bands (ev): -0.8397 -0.8397 -0.4697 -0.4697 0.9434 0.9434 1.2359 1.2359 1.5971 1.5971 1.8007 1.8007 2.3176 2.3176 3.3467 3.3467 3.6100 3.6100 4.1135 4.1135 4.1566 4.1566 4.3572 4.3572 4.3870 4.3870 4.9241 4.9241 5.1980 5.1980 5.6218 5.6218 5.7444 5.7444 5.7921 5.7921 5.8336 5.8336 6.2195 6.2195 6.2809 6.2809 6.3539 6.3539 6.5958 6.5958 7.4693 7.4693 9.6700 9.6700 k = 0.0000 0.5314-0.0000 ( 3782 PWs) bands (ev): -0.8397 -0.8397 -0.4697 -0.4697 0.9434 0.9434 1.2359 1.2359 1.5971 1.5971 1.8007 1.8007 2.3176 2.3176 3.3467 3.3467 3.6100 3.6100 4.1135 4.1135 4.1566 4.1566 4.3572 4.3572 4.3870 4.3870 4.9241 4.9241 5.1980 5.1980 5.6218 5.6218 5.7444 5.7444 5.7921 5.7921 5.8336 5.8336 6.2195 6.2195 6.2809 6.2809 6.3539 6.3539 6.5958 6.5958 7.4693 7.4693 9.6700 9.6700 k = 0.0000 0.5314 0.0201 ( 3780 PWs) bands (ev): -0.8389 -0.8389 -0.4697 -0.4697 0.9437 0.9437 1.2361 1.2361 1.5964 1.5964 1.8012 1.8012 2.3199 2.3199 3.3486 3.3486 3.6117 3.6117 4.1142 4.1142 4.1568 4.1568 4.3573 4.3573 4.3869 4.3869 4.9239 4.9239 5.1969 5.1969 5.6213 5.6213 5.7444 5.7444 5.7925 5.7925 5.8337 5.8337 6.2186 6.2186 6.2806 6.2806 6.3507 6.3507 6.5981 6.5981 7.4700 7.4700 9.6720 9.6720 k = 0.0000 0.5314 0.0402 ( 3782 PWs) bands (ev): -0.8364 -0.8364 -0.4697 -0.4697 0.9447 0.9447 1.2367 1.2367 1.5943 1.5943 1.8028 1.8028 2.3268 2.3268 3.3544 3.3544 3.6167 3.6167 4.1161 4.1161 4.1576 4.1576 4.3576 4.3576 4.3864 4.3864 4.9231 4.9231 5.1936 5.1936 5.6198 5.6198 5.7442 5.7442 5.7937 5.7937 5.8338 5.8338 6.2160 6.2160 6.2794 6.2794 6.3413 6.3413 6.6045 6.6045 7.4719 7.4719 9.6782 9.6782 k = 0.0000 0.5314 0.0603 ( 3782 PWs) bands (ev): -0.8323 -0.8323 -0.4697 -0.4697 0.9463 0.9463 1.2377 1.2377 1.5909 1.5909 1.8056 1.8056 2.3382 2.3382 3.3640 3.3640 3.6249 3.6249 4.1192 4.1192 4.1589 4.1589 4.3581 4.3581 4.3855 4.3855 4.9218 4.9218 5.1882 5.1882 5.6173 5.6173 5.7440 5.7440 5.7952 5.7952 5.8343 5.8343 6.2116 6.2116 6.2776 6.2776 6.3268 6.3268 6.6143 6.6143 7.4750 7.4750 9.6886 9.6886 k = 0.0000 0.5314 0.0804 ( 3788 PWs) bands (ev): -0.8266 -0.8266 -0.4697 -0.4697 0.9485 0.9485 1.2391 1.2391 1.5860 1.5860 1.8096 1.8096 2.3541 2.3541 3.3774 3.3774 3.6365 3.6365 4.1235 4.1235 4.1607 4.1607 4.3587 4.3587 4.3844 4.3844 4.9201 4.9201 5.1808 5.1808 5.6139 5.6139 5.7437 5.7437 5.7967 5.7967 5.8354 5.8354 6.2054 6.2054 6.2749 6.2749 6.3084 6.3084 6.6266 6.6266 7.4794 7.4794 9.7032 9.7032 k = 0.0000 0.5314 0.1005 ( 3782 PWs) bands (ev): -0.8194 -0.8194 -0.4698 -0.4698 0.9514 0.9514 1.2409 1.2409 1.5797 1.5797 1.8151 1.8151 2.3743 2.3743 3.3946 3.3946 3.6512 3.6512 4.1290 4.1290 4.1629 4.1629 4.3594 4.3594 4.3831 4.3831 4.9180 4.9180 5.1715 5.1715 5.6098 5.6098 5.7434 5.7434 5.7977 5.7977 5.8373 5.8373 6.1975 6.1975 6.2707 6.2707 6.2879 6.2879 6.6407 6.6407 7.4850 7.4850 9.7220 9.7220 k = 0.0000 0.5314 0.1206 ( 3786 PWs) bands (ev): -0.8108 -0.8108 -0.4698 -0.4698 0.9550 0.9550 1.2431 1.2431 1.5721 1.5721 1.8221 1.8221 2.3989 2.3989 3.4154 3.4154 3.6691 3.6691 4.1354 4.1354 4.1657 4.1657 4.3598 4.3598 4.3818 4.3818 4.9155 4.9155 5.1607 5.1607 5.6050 5.6050 5.7428 5.7428 5.7980 5.7980 5.8404 5.8404 6.1876 6.1876 6.2589 6.2589 6.2726 6.2726 6.6558 6.6558 7.4919 7.4919 9.7450 9.7450 k = 0.0000 0.5314 0.1407 ( 3790 PWs) bands (ev): -0.8009 -0.8009 -0.4699 -0.4699 0.9593 0.9593 1.2458 1.2458 1.5631 1.5631 1.8309 1.8309 2.4275 2.4275 3.4397 3.4397 3.6900 3.6900 4.1427 4.1427 4.1689 4.1689 4.3599 4.3599 4.3807 4.3807 4.9129 4.9129 5.1485 5.1485 5.5996 5.5996 5.7419 5.7419 5.7975 5.7975 5.8443 5.8443 6.1753 6.1753 6.2368 6.2368 6.2667 6.2667 6.6718 6.6718 7.5000 7.5000 9.7722 9.7722 k = 0.0000 0.5314 0.1608 ( 3782 PWs) bands (ev): -0.7898 -0.7898 -0.4699 -0.4699 0.9643 0.9643 1.2488 1.2488 1.5528 1.5528 1.8415 1.8415 2.4603 2.4603 3.4675 3.4675 3.7138 3.7138 4.1506 4.1506 4.1729 4.1729 4.3592 4.3592 4.3802 4.3802 4.9102 4.9102 5.1352 5.1352 5.5939 5.5939 5.7406 5.7406 5.7964 5.7964 5.8488 5.8488 6.1596 6.1596 6.2142 6.2142 6.2620 6.2620 6.6884 6.6884 7.5092 7.5092 9.8035 9.8035 k = 0.0000 0.5314 0.1809 ( 3778 PWs) bands (ev): -0.7776 -0.7776 -0.4700 -0.4700 0.9701 0.9701 1.2522 1.2522 1.5412 1.5412 1.8542 1.8542 2.4969 2.4969 3.4985 3.4985 3.7404 3.7404 4.1585 4.1585 4.1777 4.1777 4.3575 4.3575 4.3804 4.3804 4.9076 4.9076 5.1211 5.1211 5.5878 5.5878 5.7387 5.7387 5.7949 5.7949 5.8535 5.8535 6.1396 6.1396 6.1942 6.1942 6.2574 6.2574 6.7055 6.7055 7.5197 7.5197 9.8390 9.8390 k = 0.0000 0.5314 0.2009 ( 3782 PWs) bands (ev): -0.7646 -0.7646 -0.4702 -0.4702 0.9767 0.9767 1.2560 1.2560 1.5286 1.5286 1.8691 1.8691 2.5374 2.5374 3.5325 3.5325 3.7696 3.7696 4.1658 4.1658 4.1841 4.1841 4.3548 4.3548 4.3815 4.3815 4.9052 4.9052 5.1064 5.1064 5.5816 5.5816 5.7364 5.7364 5.7932 5.7932 5.8579 5.8579 6.1151 6.1151 6.1778 6.1778 6.2529 6.2529 6.7232 6.7232 7.5313 7.5313 9.8784 9.8784 k = 0.0000 0.5314 0.2210 ( 3778 PWs) bands (ev): -0.7508 -0.7508 -0.4704 -0.4704 0.9840 0.9840 1.2601 1.2601 1.5150 1.5150 1.8863 1.8863 2.5814 2.5814 3.5694 3.5694 3.8010 3.8010 4.1717 4.1717 4.1924 4.1924 4.3512 4.3512 4.3835 4.3835 4.9032 4.9032 5.0914 5.0914 5.5755 5.5755 5.7334 5.7334 5.7912 5.7912 5.8616 5.8616 6.0875 6.0875 6.1643 6.1643 6.2485 6.2485 6.7414 6.7414 7.5441 7.5441 9.9219 9.9219 k = 0.0000 0.5314 0.2411 ( 3776 PWs) bands (ev): -0.7365 -0.7365 -0.4706 -0.4706 0.9923 0.9923 1.2645 1.2645 1.5004 1.5004 1.9059 1.9059 2.6290 2.6290 3.6089 3.6089 3.8345 3.8345 4.1762 4.1762 4.2024 4.2024 4.3470 4.3470 4.3861 4.3861 4.9019 4.9019 5.0764 5.0764 5.5696 5.5696 5.7300 5.7300 5.7890 5.7890 5.8641 5.8641 6.0582 6.0582 6.1532 6.1532 6.2444 6.2444 6.7602 6.7602 7.5580 7.5580 9.9692 9.9693 k = 0.0000 0.5314 0.2612 ( 3782 PWs) bands (ev): -0.7218 -0.7218 -0.4709 -0.4709 1.0014 1.0014 1.2692 1.2692 1.4850 1.4850 1.9281 1.9281 2.6800 2.6800 3.6506 3.6506 3.8695 3.8695 4.1799 4.1799 4.2132 4.2132 4.3424 4.3424 4.3894 4.3894 4.9015 4.9015 5.0618 5.0618 5.5641 5.5641 5.7261 5.7261 5.7866 5.7866 5.8648 5.8648 6.0287 6.0287 6.1441 6.1441 6.2408 6.2408 6.7797 6.7797 7.5730 7.5730 10.0204 10.0204 k = 0.0000 0.5314 0.2813 ( 3788 PWs) bands (ev): -0.7070 -0.7070 -0.4713 -0.4713 1.0115 1.0115 1.2742 1.2742 1.4690 1.4690 1.9530 1.9530 2.7342 2.7342 3.6943 3.6943 3.9055 3.9055 4.1828 4.1828 4.2243 4.2243 4.3379 4.3379 4.3935 4.3935 4.9024 4.9024 5.0479 5.0479 5.5592 5.5592 5.7218 5.7218 5.7839 5.7839 5.8631 5.8631 5.9998 5.9998 6.1371 6.1371 6.2377 6.2377 6.8001 6.8001 7.5893 7.5893 10.0753 10.0753 k = 0.0000 0.5314 0.3014 ( 3788 PWs) bands (ev): -0.6923 -0.6923 -0.4717 -0.4717 1.0225 1.0225 1.2794 1.2794 1.4524 1.4524 1.9809 1.9809 2.7913 2.7913 3.7394 3.7394 3.9419 3.9419 4.1851 4.1851 4.2350 4.2350 4.3338 4.3338 4.3984 4.3984 4.9048 4.9048 5.0352 5.0352 5.5552 5.5552 5.7171 5.7171 5.7808 5.7808 5.8583 5.8583 5.9727 5.9727 6.1323 6.1323 6.2353 6.2353 6.8214 6.8214 7.6068 7.6068 10.1338 10.1338 k = 0.0000 0.5314 0.3215 ( 3786 PWs) bands (ev): -0.6777 -0.6777 -0.4722 -0.4722 1.0345 1.0345 1.2847 1.2847 1.4354 1.4354 2.0117 2.0117 2.8513 2.8513 3.7853 3.7853 3.9778 3.9778 4.1869 4.1869 4.2446 4.2446 4.3310 4.3310 4.4043 4.4043 4.9090 4.9090 5.0240 5.0240 5.5523 5.5523 5.7119 5.7119 5.7772 5.7772 5.8496 5.8496 5.9486 5.9486 6.1297 6.1297 6.2338 6.2338 6.8437 6.8437 7.6256 7.6256 10.1958 10.1958 k = 0.0000 0.5314 0.3416 ( 3790 PWs) bands (ev): -0.6636 -0.6636 -0.4728 -0.4728 1.0474 1.0474 1.2900 1.2900 1.4181 1.4181 2.0456 2.0456 2.9138 2.9138 3.8316 3.8316 4.0122 4.0122 4.1883 4.1883 4.2521 4.2521 4.3305 4.3305 4.4116 4.4116 4.9155 4.9155 5.0149 5.0149 5.5508 5.5508 5.7062 5.7062 5.7728 5.7728 5.8366 5.8366 5.9287 5.9287 6.1294 6.1294 6.2331 6.2331 6.8673 6.8673 7.6458 7.6458 10.2613 10.2613 k = 0.0000 0.5314 0.3617 ( 3788 PWs) bands (ev): -0.6501 -0.6501 -0.4735 -0.4735 1.0613 1.0613 1.2953 1.2953 1.4007 1.4007 2.0829 2.0829 2.9785 2.9785 3.8774 3.8774 4.0438 4.0438 4.1894 4.1894 4.2566 4.2566 4.3333 4.3333 4.4204 4.4204 4.9244 4.9244 5.0085 5.0085 5.5510 5.5510 5.6999 5.6999 5.7671 5.7671 5.8206 5.8206 5.9131 5.9131 6.1312 6.1312 6.2333 6.2333 6.8922 6.8922 7.6675 7.6675 10.3301 10.3301 k = 0.0000 0.5314 0.3818 ( 3788 PWs) bands (ev): -0.6372 -0.6372 -0.4742 -0.4742 1.0760 1.0760 1.3004 1.3004 1.3834 1.3834 2.1236 2.1236 3.0452 3.0452 3.9217 3.9217 4.0711 4.0711 4.1907 4.1907 4.2582 4.2582 4.3397 4.3397 4.4310 4.4310 4.9360 4.9360 5.0058 5.0058 5.5531 5.5531 5.6927 5.6927 5.7586 5.7586 5.8045 5.8045 5.9010 5.9010 6.1351 6.1351 6.2345 6.2345 6.9187 6.9187 7.6909 7.6909 10.4020 10.4020 k = 0.0000 0.5314 0.4019 ( 3780 PWs) bands (ev): -0.6253 -0.6253 -0.4750 -0.4750 1.0916 1.0916 1.3048 1.3048 1.3668 1.3668 2.1678 2.1678 3.1134 3.1134 3.9634 3.9634 4.0927 4.0927 4.1926 4.1926 4.2582 4.2582 4.3489 4.3489 4.4437 4.4437 4.9500 4.9500 5.0079 5.0079 5.5574 5.5574 5.6845 5.6845 5.7459 5.7459 5.7918 5.7918 5.8916 5.8916 6.1407 6.1407 6.2368 6.2368 6.9469 6.9469 7.7161 7.7161 10.4768 10.4768 k = 0.0000 0.5314 0.4220 ( 3780 PWs) bands (ev): -0.6143 -0.6143 -0.4760 -0.4760 1.1079 1.1079 1.3075 1.3075 1.3518 1.3518 2.2156 2.2156 3.1827 3.1827 4.0011 4.0011 4.1078 4.1078 4.1952 4.1952 4.2581 4.2581 4.3600 4.3600 4.4584 4.4584 4.9655 4.9655 5.0166 5.0166 5.5639 5.5639 5.6746 5.6746 5.7298 5.7298 5.7838 5.7838 5.8841 5.8841 6.1479 6.1479 6.2401 6.2401 6.9771 6.9771 7.7434 7.7434 10.5545 10.5545 k = 0.0000 0.5314 0.4421 ( 3780 PWs) bands (ev): -0.6044 -0.6044 -0.4770 -0.4770 1.1247 1.1247 1.3060 1.3060 1.3414 1.3414 2.2671 2.2671 3.2526 3.2526 4.0329 4.0329 4.1169 4.1169 4.1982 4.1982 4.2595 4.2595 4.3720 4.3720 4.4748 4.4748 4.9817 4.9817 5.0335 5.0335 5.5729 5.5729 5.6625 5.6625 5.7140 5.7140 5.7791 5.7791 5.8782 5.8782 6.1564 6.1564 6.2444 6.2444 7.0096 7.0096 7.7730 7.7730 10.6346 10.6346 k = 0.0000 0.5314 0.4622 ( 3782 PWs) bands (ev): -0.5956 -0.5956 -0.4781 -0.4781 1.1420 1.1420 1.2973 1.2973 1.3383 1.3383 2.3223 2.3223 3.3223 3.3223 4.0564 4.0564 4.1219 4.1219 4.2015 4.2015 4.2630 4.2630 4.3844 4.3844 4.4926 4.4926 4.9989 4.9989 5.0587 5.0587 5.5837 5.5837 5.6481 5.6481 5.7011 5.7011 5.7765 5.7765 5.8738 5.8738 6.1661 6.1661 6.2498 6.2498 7.0445 7.0445 7.8051 7.8051 10.7168 10.7168 k = 0.0000 0.5314 0.4823 ( 3782 PWs) bands (ev): -0.5879 -0.5879 -0.4793 -0.4793 1.1594 1.1594 1.2840 1.2840 1.3404 1.3404 2.3813 2.3813 3.3912 3.3912 4.0696 4.0696 4.1251 4.1251 4.2059 4.2059 4.2678 4.2678 4.3972 4.3972 4.5109 4.5109 5.0185 5.0185 5.0905 5.0905 5.5945 5.5945 5.6337 5.6337 5.6925 5.6925 5.7756 5.7756 5.8708 5.8708 6.1767 6.1767 6.2563 6.2563 7.0823 7.0823 7.8401 7.8401 10.8006 10.8006 k = 0.0000 0.5314 0.5024 ( 3784 PWs) bands (ev): -0.5814 -0.5814 -0.4806 -0.4806 1.1763 1.1763 1.2697 1.2697 1.3444 1.3444 2.4439 2.4439 3.4583 3.4583 4.0730 4.0730 4.1269 4.1269 4.2123 4.2123 4.2728 4.2728 4.4103 4.4103 4.5293 4.5293 5.0415 5.0415 5.1269 5.1269 5.5971 5.5971 5.6275 5.6275 5.6890 5.6890 5.7766 5.7766 5.8693 5.8693 6.1882 6.1882 6.2640 6.2640 7.1232 7.1232 7.8783 7.8783 10.8848 10.8848 k = 0.0000 0.5314 0.5225 ( 3786 PWs) bands (ev): -0.5761 -0.5761 -0.4819 -0.4819 1.1916 1.1916 1.2568 1.2568 1.3492 1.3492 2.5102 2.5102 3.5225 3.5225 4.0693 4.0693 4.1270 4.1270 4.2200 4.2200 4.2771 4.2771 4.4240 4.4240 4.5474 4.5474 5.0683 5.0683 5.1661 5.1661 5.5866 5.5866 5.6334 5.6334 5.6924 5.6924 5.7804 5.7804 5.8693 5.8693 6.2006 6.2006 6.2729 6.2729 7.1677 7.1677 7.9202 7.9202 10.9680 10.9680 k = 0.0000 0.5314 0.5426 ( 3782 PWs) bands (ev): -0.5719 -0.5719 -0.4833 -0.4833 1.2014 1.2014 1.2495 1.2495 1.3542 1.3542 2.5799 2.5799 3.5826 3.5826 4.0615 4.0615 4.1256 4.1256 4.2278 4.2278 4.2801 4.2801 4.4387 4.4387 4.5652 4.5652 5.0985 5.0985 5.2058 5.2058 5.5740 5.5740 5.6388 5.6388 5.7043 5.7043 5.7882 5.7882 5.8708 5.8708 6.2138 6.2138 6.2832 6.2832 7.2161 7.2161 7.9660 7.9660 11.0467 11.0467 k = 0.0000 0.5314 0.5627 ( 3784 PWs) bands (ev): -0.5688 -0.5688 -0.4848 -0.4848 1.1998 1.1998 1.2536 1.2536 1.3593 1.3593 2.6528 2.6528 3.6374 3.6374 4.0511 4.0511 4.1238 4.1238 4.2344 4.2344 4.2814 4.2814 4.4547 4.4547 4.5827 4.5827 5.1314 5.1314 5.2434 5.2434 5.5642 5.5642 5.6410 5.6410 5.7221 5.7221 5.8020 5.8020 5.8741 5.8741 6.2277 6.2277 6.2951 6.2951 7.2690 7.2690 8.0162 8.0162 11.1135 11.1135 k = 0.0000 0.5314 0.5827 ( 3782 PWs) bands (ev): -0.5667 -0.5667 -0.4863 -0.4863 1.1897 1.1897 1.2665 1.2665 1.3645 1.3645 2.7287 2.7287 3.6854 3.6854 4.0392 4.0392 4.1228 4.1228 4.2394 4.2394 4.2809 4.2809 4.4723 4.4723 4.6005 4.6005 5.1660 5.1660 5.2760 5.2760 5.5595 5.5595 5.6420 5.6420 5.7411 5.7411 5.8231 5.8231 5.8804 5.8804 6.2422 6.2422 6.3093 6.3093 7.3266 7.3266 8.0713 8.0713 11.1505 11.1505 k = 0.0000 0.5314 0.6028 ( 3786 PWs) bands (ev): -0.5655 -0.5655 -0.4879 -0.4879 1.1768 1.1768 1.2824 1.2824 1.3696 1.3696 2.8072 2.8072 3.7257 3.7257 4.0263 4.0263 4.1232 4.1232 4.2428 4.2428 4.2787 4.2787 4.4916 4.4916 4.6191 4.6191 5.2008 5.2008 5.3012 5.3012 5.5612 5.5612 5.6433 5.6433 5.7597 5.7597 5.8480 5.8480 5.8935 5.8935 6.2573 6.2573 6.3262 6.3262 7.3896 7.3896 8.1315 8.1315 11.1248 11.1248 k = 0.0000 0.5314 0.6229 ( 3780 PWs) bands (ev): -0.5651 -0.5651 -0.4895 -0.4895 1.1631 1.1631 1.2990 1.2990 1.3746 1.3746 2.8879 2.8879 3.7576 3.7576 4.0130 4.0130 4.1252 4.1252 4.2444 4.2444 4.2751 4.2751 4.5125 4.5125 4.6393 4.6393 5.2345 5.2345 5.3177 5.3177 5.5691 5.5691 5.6458 5.6458 5.7787 5.7787 5.8671 5.8671 5.9217 5.9217 6.2727 6.2727 6.3469 6.3469 7.4582 7.4582 8.1974 8.1974 11.0196 11.0196 k = 0.0000 0.5314 0.6430 ( 3782 PWs) bands (ev): -0.5655 -0.5655 -0.4911 -0.4911 1.1496 1.1496 1.3155 1.3155 1.3797 1.3797 2.9703 2.9703 3.7811 3.7811 3.9995 3.9995 4.1285 4.1285 4.2444 4.2444 4.2706 4.2706 4.5343 4.5343 4.6622 4.6622 5.2651 5.2651 5.3270 5.3270 5.5814 5.5814 5.6499 5.6499 5.7992 5.7992 5.8799 5.8799 5.9634 5.9634 6.2882 6.2882 6.3728 6.3728 7.5329 7.5329 8.2693 8.2693 10.8628 10.8628 k = 0.0000 0.5314 0.6631 ( 3780 PWs) bands (ev): -0.5665 -0.5665 -0.4928 -0.4928 1.1363 1.1363 1.3315 1.3315 1.3848 1.3848 3.0537 3.0537 3.7970 3.7970 3.9861 3.9861 4.1326 4.1326 4.2424 4.2424 4.2657 4.2657 4.5565 4.5565 4.6883 4.6883 5.2884 5.2884 5.3344 5.3344 5.5955 5.5955 5.6557 5.6557 5.8206 5.8206 5.8928 5.8928 6.0111 6.0111 6.3037 6.3037 6.4056 6.4056 7.6138 7.6138 8.3475 8.3475 10.6833 10.6833 k = 0.0000 0.5314 0.6832 ( 3782 PWs) bands (ev): -0.5680 -0.5680 -0.4945 -0.4945 1.1236 1.1236 1.3466 1.3466 1.3902 1.3902 3.1373 3.1373 3.8066 3.8066 3.9732 3.9732 4.1367 4.1367 4.2383 4.2383 4.2613 4.2613 4.5785 4.5785 4.7180 4.7180 5.2983 5.2983 5.3478 5.3478 5.6092 5.6092 5.6633 5.6633 5.8402 5.8402 5.9103 5.9103 6.0600 6.0600 6.3192 6.3192 6.4475 6.4475 7.7010 7.7010 8.4322 8.4322 10.4949 10.4949 k = 0.0000 0.5314 0.7033 ( 3786 PWs) bands (ev): -0.5700 -0.5700 -0.4962 -0.4962 1.1114 1.1114 1.3604 1.3604 1.3960 1.3960 3.2204 3.2204 3.8111 3.8111 3.9611 3.9611 4.1403 4.1403 4.2322 4.2322 4.2575 4.2575 4.6000 4.6000 4.7511 4.7511 5.2965 5.2965 5.3668 5.3668 5.6214 5.6214 5.6723 5.6723 5.8553 5.8553 5.9348 5.9348 6.1070 6.1070 6.3347 6.3347 6.5006 6.5006 7.7945 7.7945 8.5235 8.5235 10.3044 10.3044 k = 0.0000 0.5314 0.7234 ( 3788 PWs) bands (ev): -0.5723 -0.5723 -0.4979 -0.4979 1.1000 1.1000 1.3723 1.3723 1.4027 1.4027 3.3017 3.3017 3.8120 3.8120 3.9500 3.9500 4.1431 4.1431 4.2246 4.2246 4.2545 4.2545 4.6215 4.6215 4.7866 4.7866 5.2895 5.2895 5.3860 5.3860 5.6322 5.6322 5.6824 5.6824 5.8657 5.8657 5.9655 5.9655 6.1497 6.1497 6.3502 6.3502 6.5665 6.5665 7.8937 7.8937 8.6215 8.6215 10.1155 10.1155 k = 0.0000 0.5314 0.7435 ( 3794 PWs) bands (ev): -0.5748 -0.5748 -0.4996 -0.4996 1.0892 1.0892 1.3819 1.3819 1.4108 1.4108 3.3802 3.3802 3.8102 3.8102 3.9404 3.9404 4.1448 4.1448 4.2159 4.2159 4.2518 4.2518 4.6433 4.6433 4.8234 4.8234 5.2803 5.2803 5.4037 5.4037 5.6416 5.6416 5.6929 5.6929 5.8730 5.8730 5.9998 5.9998 6.1871 6.1871 6.3658 6.3658 6.6457 6.6457 7.9977 7.9977 8.7259 8.7259 9.9312 9.9312 k = 0.0000 0.5314 0.7636 ( 3796 PWs) bands (ev): -0.5775 -0.5775 -0.5013 -0.5013 1.0791 1.0791 1.3892 1.3892 1.4201 1.4201 3.4543 3.4543 3.8066 3.8066 3.9328 3.9328 4.1455 4.1455 4.2068 4.2068 4.2496 4.2496 4.6663 4.6663 4.8604 4.8604 5.2699 5.2699 5.4194 5.4194 5.6500 5.6500 5.7033 5.7033 5.8785 5.8785 6.0359 6.0359 6.2191 6.2191 6.3815 6.3815 6.7376 6.7376 8.1051 8.1051 8.8363 8.8363 9.7546 9.7546 k = 0.0000 0.5314 0.7837 ( 3796 PWs) bands (ev): -0.5803 -0.5803 -0.5028 -0.5028 1.0698 1.0698 1.3946 1.3946 1.4301 1.4301 3.5225 3.5225 3.8020 3.8020 3.9277 3.9277 4.1454 4.1454 4.1974 4.1974 4.2477 4.2477 4.6909 4.6909 4.8967 4.8967 5.2588 5.2588 5.4335 5.4335 5.6576 5.6576 5.7130 5.7130 5.8826 5.8826 6.0726 6.0726 6.2463 6.2463 6.3975 6.3975 6.8411 6.8411 8.2127 8.2127 8.9516 8.9516 9.5901 9.5901 k = 0.0000 0.5314 0.8038 ( 3798 PWs) bands (ev): -0.5831 -0.5831 -0.5044 -0.5044 1.0612 1.0612 1.3989 1.3989 1.4401 1.4401 3.5831 3.5831 3.7968 3.7968 3.9259 3.9259 4.1446 4.1446 4.1880 4.1880 4.2462 4.2462 4.7177 4.7177 4.9315 4.9315 5.2472 5.2472 5.4464 5.4464 5.6646 5.6646 5.7217 5.7217 5.8858 5.8858 6.1094 6.1094 6.2694 6.2694 6.4138 6.4138 6.9548 6.9548 8.3152 8.3152 9.0690 9.0690 9.4451 9.4451 k = 0.0000 0.5314 0.8239 ( 3804 PWs) bands (ev): -0.5859 -0.5859 -0.5058 -0.5058 1.0535 1.0535 1.4024 1.4024 1.4496 1.4496 3.6341 3.6341 3.7913 3.7913 3.9283 3.9283 4.1433 4.1433 4.1788 4.1788 4.2452 4.2452 4.7467 4.7467 4.9642 4.9642 5.2352 5.2352 5.4585 5.4585 5.6710 5.6710 5.7292 5.7292 5.8882 5.8882 6.1458 6.1458 6.2891 6.2891 6.4306 6.4306 7.0775 7.0775 8.4020 8.4020 9.1779 9.1779 9.3389 9.3389 k = 0.0000 0.5314 0.8440 ( 3808 PWs) bands (ev): -0.5885 -0.5885 -0.5071 -0.5071 1.0465 1.0465 1.4053 1.4053 1.4584 1.4584 3.6744 3.6744 3.7860 3.7860 3.9355 3.9355 4.1416 4.1416 4.1700 4.1700 4.2447 4.2447 4.7780 4.7780 4.9943 4.9943 5.2228 5.2228 5.4701 5.4701 5.6769 5.6769 5.7352 5.7352 5.8900 5.8900 6.1814 6.1814 6.3059 6.3059 6.4479 6.4479 7.2082 7.2082 8.4555 8.4555 9.2167 9.2167 9.3440 9.3440 k = 0.0000 0.5314 0.8641 ( 3804 PWs) bands (ev): -0.5909 -0.5909 -0.5083 -0.5083 1.0403 1.0403 1.4078 1.4078 1.4664 1.4664 3.7036 3.7036 3.7809 3.7809 3.9473 3.9473 4.1395 4.1395 4.1617 4.1617 4.2448 4.2448 4.8111 4.8111 5.0214 5.0214 5.2098 5.2098 5.4815 5.4815 5.6820 5.6820 5.7399 5.7399 5.8911 5.8911 6.2157 6.2157 6.3203 6.3203 6.4661 6.4661 7.3458 7.3458 8.4573 8.4573 9.2257 9.2257 9.4166 9.4166 k = 0.0000 0.5314 0.8842 ( 3800 PWs) bands (ev): -0.5931 -0.5931 -0.5094 -0.5094 1.0350 1.0350 1.4099 1.4099 1.4734 1.4734 3.7230 3.7230 3.7764 3.7764 3.9624 3.9624 4.1370 4.1370 4.1543 4.1543 4.2454 4.2454 4.8453 4.8453 5.0453 5.0453 5.1962 5.1962 5.4925 5.4925 5.6864 5.6864 5.7433 5.7433 5.8919 5.8919 6.2479 6.2479 6.3323 6.3323 6.4855 6.4855 7.4897 7.4897 8.4094 8.4094 9.2809 9.2809 9.4258 9.4258 k = 0.0000 0.5314 0.9043 ( 3800 PWs) bands (ev): -0.5951 -0.5951 -0.5103 -0.5103 1.0305 1.0305 1.4116 1.4116 1.4794 1.4794 3.7349 3.7349 3.7725 3.7725 3.9787 3.9787 4.1341 4.1341 4.1480 4.1480 4.2463 4.2463 4.8798 4.8798 5.0655 5.0655 5.1821 5.1821 5.5032 5.5032 5.6899 5.6899 5.7457 5.7457 5.8922 5.8922 6.2769 6.2769 6.3423 6.3423 6.5060 6.5060 7.6389 7.6389 8.3339 8.3339 9.2785 9.2785 9.4360 9.4360 k = 0.0000 0.5314 0.9244 ( 3804 PWs) bands (ev): -0.5967 -0.5967 -0.5111 -0.5111 1.0267 1.0267 1.4130 1.4130 1.4844 1.4844 3.7417 3.7417 3.7694 3.7694 3.9942 3.9942 4.1304 4.1304 4.1433 4.1433 4.2475 4.2475 4.9132 4.9132 5.0820 5.0820 5.1677 5.1677 5.5131 5.5131 5.6924 5.6924 5.7473 5.7473 5.8924 5.8924 6.3016 6.3016 6.3504 6.3504 6.5272 6.5272 7.7925 7.7925 8.2521 8.2521 9.1414 9.1414 9.5597 9.5597 k = 0.0000 0.5314 0.9445 ( 3808 PWs) bands (ev): -0.5980 -0.5980 -0.5117 -0.5117 1.0238 1.0238 1.4141 1.4141 1.4883 1.4883 3.7452 3.7452 3.7670 3.7670 4.0074 4.0074 4.1263 4.1263 4.1402 4.1402 4.2487 4.2487 4.9441 4.9441 5.0941 5.0941 5.1535 5.1535 5.5218 5.5218 5.6940 5.6940 5.7483 5.7483 5.8923 5.8923 6.3210 6.3210 6.3566 6.3566 6.5479 6.5479 7.9479 7.9479 8.1796 8.1796 8.9771 8.9771 9.7115 9.7115 k = 0.0000 0.5314 0.9646 ( 3806 PWs) bands (ev): -0.5989 -0.5989 -0.5122 -0.5122 1.0218 1.0218 1.4148 1.4148 1.4911 1.4911 3.7469 3.7469 3.7655 3.7655 4.0175 4.0175 4.1225 4.1225 4.1383 4.1383 4.2497 4.2497 4.9706 4.9706 5.1013 5.1013 5.1412 5.1412 5.5287 5.5287 5.6947 5.6947 5.7490 5.7490 5.8923 5.8923 6.3349 6.3349 6.3610 6.3610 6.5658 6.5658 8.0729 8.0729 8.1568 8.1568 8.8063 8.8063 9.8750 9.8750 k = 0.0000 0.5314 0.9846 ( 3814 PWs) bands (ev): -0.5995 -0.5995 -0.5124 -0.5124 1.0205 1.0205 1.4153 1.4153 1.4928 1.4928 3.7476 3.7476 3.7646 3.7646 4.0239 4.0239 4.1198 4.1198 4.1373 4.1373 4.2503 4.2503 4.9897 4.9897 5.1028 5.1028 5.1338 5.1338 5.5332 5.5332 5.6950 5.6950 5.7494 5.7494 5.8922 5.8922 6.3431 6.3431 6.3637 6.3637 6.5781 6.5781 8.0633 8.0633 8.2926 8.2926 8.6353 8.6353 10.0412 10.0412 k = 0.0000 0.5314 1.0047 ( 3816 PWs) bands (ev): -0.5997 -0.5997 -0.5125 -0.5125 1.0201 1.0201 1.4154 1.4154 1.4933 1.4933 3.7477 3.7477 3.7643 3.7643 4.0261 4.0261 4.1188 4.1188 4.1370 4.1370 4.2506 4.2506 4.9969 4.9969 5.1021 5.1021 5.1317 5.1317 5.5347 5.5347 5.6950 5.6950 5.7495 5.7495 5.8922 5.8922 6.3458 6.3458 6.3646 6.3646 6.5825 6.5825 8.0522 8.0522 8.4317 8.4317 8.4919 8.4919 10.1540 10.1540 k = 0.0000 0.5314 1.0047 ( 3816 PWs) bands (ev): -0.5997 -0.5997 -0.5125 -0.5125 1.0201 1.0201 1.4154 1.4154 1.4933 1.4933 3.7477 3.7477 3.7643 3.7643 4.0261 4.0261 4.1188 4.1188 4.1370 4.1370 4.2506 4.2506 4.9969 4.9969 5.1021 5.1021 5.1317 5.1317 5.5347 5.5347 5.6950 5.6950 5.7495 5.7495 5.8922 5.8922 6.3458 6.3458 6.3646 6.3646 6.5825 6.5825 8.0522 8.0522 8.4317 8.4317 8.4919 8.4919 10.1540 10.1540 k = 0.0197 0.5314 1.0047 ( 3814 PWs) bands (ev): -0.5998 -0.5998 -0.5126 -0.5126 1.0200 1.0200 1.4154 1.4154 1.4931 1.4931 3.7477 3.7477 3.7641 3.7641 4.0241 4.0241 4.1191 4.1191 4.1362 4.1362 4.2503 4.2503 4.9971 4.9971 5.1022 5.1022 5.1356 5.1356 5.5369 5.5369 5.6951 5.6951 5.7504 5.7504 5.8932 5.8932 6.3453 6.3453 6.3649 6.3649 6.5841 6.5841 8.0511 8.0511 8.4320 8.4320 8.4919 8.4919 10.1349 10.1349 k = 0.0393 0.5314 1.0047 ( 3810 PWs) bands (ev): -0.5999 -0.5999 -0.5127 -0.5127 1.0196 1.0196 1.4151 1.4151 1.4924 1.4924 3.7474 3.7474 3.7634 3.7634 4.0185 4.0185 4.1192 4.1192 4.1341 4.1341 4.2497 4.2497 4.9979 4.9979 5.1033 5.1033 5.1460 5.1460 5.5435 5.5435 5.6954 5.6954 5.7534 5.7534 5.8962 5.8962 6.3440 6.3440 6.3656 6.3656 6.5888 6.5888 8.0477 8.0477 8.4329 8.4329 8.4920 8.4920 10.0831 10.0831 k = 0.0590 0.5314 1.0047 ( 3810 PWs) bands (ev): -0.6002 -0.6002 -0.5130 -0.5130 1.0189 1.0189 1.4147 1.4147 1.4912 1.4912 3.7470 3.7470 3.7624 3.7624 4.0102 4.0102 4.1173 4.1173 4.1318 4.1318 4.2494 4.2494 4.9993 4.9993 5.1065 5.1065 5.1614 5.1614 5.5542 5.5542 5.6957 5.6957 5.7586 5.7586 5.9010 5.9010 6.3418 6.3418 6.3668 6.3668 6.5965 6.5965 8.0421 8.0421 8.4345 8.4345 8.4920 8.4920 10.0088 10.0088 k = 0.0786 0.5314 1.0047 ( 3802 PWs) bands (ev): -0.6006 -0.6006 -0.5134 -0.5134 1.0179 1.0179 1.4142 1.4142 1.4896 1.4896 3.7462 3.7462 3.7609 3.7609 3.9999 3.9999 4.1120 4.1120 4.1295 4.1295 4.2499 4.2499 5.0018 5.0018 5.1121 5.1121 5.1803 5.1803 5.5687 5.5687 5.6960 5.6960 5.7663 5.7663 5.9077 5.9077 6.3389 6.3389 6.3686 6.3686 6.6071 6.6071 8.0342 8.0342 8.4366 8.4366 8.4921 8.4921 9.9208 9.9208 k = 0.0983 0.5314 1.0047 ( 3800 PWs) bands (ev): -0.6010 -0.6010 -0.5139 -0.5139 1.0167 1.0167 1.4135 1.4135 1.4876 1.4876 3.7450 3.7450 3.7590 3.7590 3.9885 3.9885 4.1039 4.1039 4.1261 4.1261 4.2520 4.2520 5.0055 5.0055 5.1199 5.1199 5.2018 5.2018 5.5865 5.5865 5.6965 5.6965 5.7770 5.7770 5.9160 5.9160 6.3354 6.3354 6.3710 6.3710 6.6205 6.6205 8.0239 8.0239 8.4394 8.4394 8.4922 8.4922 9.8245 9.8245 k = 0.1180 0.5314 1.0047 ( 3796 PWs) bands (ev): -0.6016 -0.6016 -0.5144 -0.5144 1.0153 1.0153 1.4127 1.4127 1.4852 1.4852 3.7432 3.7432 3.7567 3.7567 3.9763 3.9763 4.0940 4.0940 4.1208 4.1208 4.2559 4.2559 5.0104 5.0104 5.1295 5.1295 5.2252 5.2252 5.6068 5.6068 5.6976 5.6976 5.7906 5.7906 5.9258 5.9258 6.3316 6.3316 6.3740 6.3740 6.6365 6.6365 8.0112 8.0112 8.4427 8.4427 8.4923 8.4923 9.7235 9.7235 k = 0.1376 0.5314 1.0047 ( 3796 PWs) bands (ev): -0.6022 -0.6022 -0.5150 -0.5150 1.0137 1.0137 1.4117 1.4117 1.4825 1.4825 3.7407 3.7407 3.7541 3.7541 3.9639 3.9639 4.0832 4.0832 4.1136 4.1136 4.2614 4.2614 5.0167 5.0167 5.1406 5.1406 5.2497 5.2497 5.6281 5.6281 5.7001 5.7001 5.8072 5.8072 5.9371 5.9371 6.3275 6.3275 6.3779 6.3779 6.6552 6.6552 7.9961 7.9961 8.4466 8.4466 8.4923 8.4923 9.6201 9.6201 k = 0.1573 0.5314 1.0047 ( 3792 PWs) bands (ev): -0.6029 -0.6029 -0.5157 -0.5157 1.0119 1.0119 1.4106 1.4106 1.4795 1.4795 3.7372 3.7372 3.7511 3.7511 3.9516 3.9516 4.0718 4.0718 4.1048 4.1048 4.2683 4.2683 5.0241 5.0241 5.1530 5.1530 5.2746 5.2746 5.6483 5.6483 5.7062 5.7062 5.8268 5.8268 5.9499 5.9499 6.3233 6.3233 6.3826 6.3826 6.6763 6.6763 7.9784 7.9784 8.4509 8.4509 8.4921 8.4921 9.5160 9.5160 k = 0.1769 0.5314 1.0047 ( 3794 PWs) bands (ev): -0.6037 -0.6037 -0.5165 -0.5165 1.0100 1.0100 1.4094 1.4094 1.4763 1.4763 3.7328 3.7328 3.7477 3.7477 3.9394 3.9394 4.0603 4.0603 4.0952 4.0952 4.2760 4.2760 5.0326 5.0326 5.1662 5.1662 5.2992 5.2992 5.6634 5.6634 5.7191 5.7191 5.8486 5.8486 5.9643 5.9643 6.3191 6.3191 6.3884 6.3884 6.6997 6.6997 7.9581 7.9581 8.4555 8.4555 8.4918 8.4918 9.4126 9.4126 k = 0.1966 0.5314 1.0047 ( 3794 PWs) bands (ev): -0.6045 -0.6045 -0.5172 -0.5172 1.0079 1.0079 1.4082 1.4082 1.4729 1.4729 3.7275 3.7275 3.7437 3.7437 3.9277 3.9277 4.0492 4.0492 4.0853 4.0853 4.2840 4.2840 5.0419 5.0419 5.1799 5.1799 5.3230 5.3230 5.6718 5.6718 5.7402 5.7402 5.8720 5.8720 5.9807 5.9807 6.3152 6.3152 6.3952 6.3952 6.7253 6.7253 7.9351 7.9351 8.4603 8.4603 8.4912 8.4912 9.3111 9.3111 k = 0.2163 0.5314 1.0047 ( 3790 PWs) bands (ev): -0.6054 -0.6054 -0.5180 -0.5180 1.0058 1.0058 1.4068 1.4068 1.4694 1.4694 3.7213 3.7213 3.7391 3.7391 3.9164 3.9164 4.0388 4.0388 4.0756 4.0756 4.2921 4.2921 5.0518 5.0518 5.1940 5.1940 5.3456 5.3456 5.6763 5.6763 5.7665 5.7665 5.8956 5.8956 5.9996 5.9996 6.3116 6.3116 6.4032 6.4032 6.7530 6.7530 7.9094 7.9094 8.4644 8.4644 8.4905 8.4905 9.2131 9.2131 k = 0.2359 0.5314 1.0047 ( 3784 PWs) bands (ev): -0.6063 -0.6063 -0.5188 -0.5188 1.0036 1.0036 1.4054 1.4054 1.4659 1.4659 3.7145 3.7145 3.7339 3.7339 3.9059 3.9059 4.0293 4.0293 4.0666 4.0666 4.3000 4.3000 5.0620 5.0620 5.2080 5.2080 5.3667 5.3667 5.6791 5.6791 5.7953 5.7953 5.9180 5.9180 6.0216 6.0216 6.3086 6.3086 6.4125 6.4125 6.7827 6.7827 7.8812 7.8812 8.4663 8.4663 8.4908 8.4908 9.1201 9.1201 k = 0.2556 0.5314 1.0047 ( 3774 PWs) bands (ev): -0.6072 -0.6072 -0.5196 -0.5196 1.0014 1.0014 1.4040 1.4040 1.4624 1.4624 3.7072 3.7072 3.7279 3.7279 3.8959 3.8959 4.0208 4.0208 4.0584 4.0584 4.3075 4.3075 5.0724 5.0724 5.2218 5.2218 5.3861 5.3861 5.6815 5.6815 5.8250 5.8250 5.9381 5.9381 6.0468 6.0468 6.3065 6.3065 6.4231 6.4231 6.8139 6.8139 7.8505 7.8505 8.4627 8.4627 8.4938 8.4938 9.0342 9.0342 k = 0.2752 0.5314 1.0047 ( 3778 PWs) bands (ev): -0.6081 -0.6081 -0.5204 -0.5204 0.9992 0.9992 1.4025 1.4025 1.4590 1.4590 3.6996 3.6996 3.7213 3.7213 3.8867 3.8867 4.0136 4.0136 4.0514 4.0514 4.3145 4.3145 5.0827 5.0827 5.2349 5.2349 5.4037 5.4037 5.6838 5.6838 5.8547 5.8547 5.9554 5.9554 6.0744 6.0744 6.3056 6.3056 6.4350 6.4350 6.8465 6.8465 7.8177 7.8177 8.4521 8.4521 8.4998 8.4998 8.9581 8.9581 k = 0.2949 0.5314 1.0047 ( 3782 PWs) bands (ev): -0.6090 -0.6090 -0.5211 -0.5211 0.9971 0.9971 1.4011 1.4011 1.4556 1.4556 3.6918 3.6918 3.7143 3.7143 3.8782 3.8782 4.0075 4.0075 4.0455 4.0455 4.3207 4.3207 5.0927 5.0927 5.2471 5.2471 5.4195 5.4195 5.6865 5.6865 5.8834 5.8834 5.9703 5.9703 6.1029 6.1029 6.3067 6.3067 6.4482 6.4482 6.8800 6.8800 7.7831 7.7831 8.4335 8.4335 8.5078 8.5078 8.8946 8.8946 k = 0.3145 0.5314 1.0047 ( 3784 PWs) bands (ev): -0.6098 -0.6098 -0.5218 -0.5218 0.9951 0.9951 1.3996 1.3996 1.4525 1.4525 3.6841 3.6841 3.7070 3.7070 3.8704 3.8704 4.0027 4.0027 4.0408 4.0408 4.3262 4.3262 5.1022 5.1022 5.2580 5.2580 5.4335 5.4335 5.6894 5.6894 5.9100 5.9100 5.9837 5.9837 6.1301 6.1301 6.3105 6.3105 6.4623 6.4623 6.9138 6.9138 7.7474 7.7474 8.4061 8.4061 8.5171 8.5171 8.8465 8.8465 k = 0.3342 0.5314 1.0047 ( 3782 PWs) bands (ev): -0.6106 -0.6106 -0.5225 -0.5225 0.9932 0.9932 1.3982 1.3982 1.4495 1.4495 3.6766 3.6766 3.6996 3.6996 3.8632 3.8632 3.9991 3.9991 4.0373 4.0373 4.3309 4.3309 5.1111 5.1111 5.2674 5.2674 5.4459 5.4459 5.6925 5.6925 5.9330 5.9330 5.9970 5.9970 6.1538 6.1538 6.3180 6.3180 6.4772 6.4772 6.9471 6.9471 7.7113 7.7113 8.3706 8.3706 8.5276 8.5276 8.8148 8.8148 k = 0.3539 0.5314 1.0047 ( 3780 PWs) bands (ev): -0.6114 -0.6114 -0.5231 -0.5231 0.9915 0.9915 1.3969 1.3969 1.4467 1.4467 3.6695 3.6695 3.6925 3.6925 3.8566 3.8566 3.9967 3.9967 4.0349 4.0349 4.3348 4.3348 5.1192 5.1192 5.2748 5.2748 5.4566 5.4566 5.6959 5.6959 5.9507 5.9507 6.0117 6.0117 6.1722 6.1722 6.3297 6.3297 6.4925 6.4925 6.9790 6.9790 7.6757 7.6757 8.3297 8.3297 8.5391 8.5391 8.7984 8.7984 k = 0.3735 0.5314 1.0047 ( 3778 PWs) bands (ev): -0.6120 -0.6120 -0.5236 -0.5236 0.9900 0.9900 1.3956 1.3956 1.4443 1.4443 3.6629 3.6629 3.6859 3.6859 3.8506 3.8506 3.9953 3.9953 4.0335 4.0335 4.3378 4.3378 5.1264 5.1264 5.2803 5.2803 5.4657 5.4657 5.6993 5.6993 5.9624 5.9624 6.0283 6.0283 6.1847 6.1847 6.3453 6.3453 6.5076 6.5076 7.0084 7.0084 7.6415 7.6415 8.2876 8.2876 8.5519 8.5519 8.7949 8.7949 k = 0.3735 0.5314 1.0047 ( 3778 PWs) bands (ev): -0.6120 -0.6120 -0.5236 -0.5236 0.9900 0.9900 1.3956 1.3956 1.4443 1.4443 3.6629 3.6629 3.6859 3.6859 3.8506 3.8506 3.9953 3.9953 4.0335 4.0335 4.3378 4.3378 5.1264 5.1264 5.2803 5.2803 5.4657 5.4657 5.6993 5.6993 5.9624 5.9624 6.0283 6.0283 6.1847 6.1847 6.3453 6.3453 6.5076 6.5076 7.0084 7.0084 7.6415 7.6415 8.2876 8.2876 8.5519 8.5519 8.7949 8.7949 k = 0.3622 0.5153 1.0047 ( 3778 PWs) bands (ev): -0.6109 -0.6109 -0.5227 -0.5227 0.9925 0.9925 1.3977 1.3977 1.4484 1.4484 3.6740 3.6740 3.6974 3.6974 3.8607 3.8607 3.9970 3.9970 4.0353 4.0353 4.3328 4.3328 5.1143 5.1143 5.2725 5.2725 5.4505 5.4505 5.6939 5.6939 5.9457 5.9457 5.9982 5.9982 6.1679 6.1679 6.3147 6.3147 6.4818 6.4818 6.9614 6.9614 7.6991 7.6991 8.3610 8.3610 8.5316 8.5316 8.7916 8.7916 k = 0.3509 0.4992 1.0047 ( 3782 PWs) bands (ev): -0.6098 -0.6098 -0.5218 -0.5218 0.9952 0.9952 1.3999 1.3999 1.4526 1.4526 3.6856 3.6856 3.7098 3.7098 3.8711 3.8711 3.9992 3.9992 4.0376 4.0376 4.3268 4.3268 5.1014 5.1014 5.2642 5.2642 5.4340 5.4340 5.6895 5.6895 5.9246 5.9246 5.9704 5.9704 6.1509 6.1509 6.2823 6.2823 6.4561 6.4561 6.9177 6.9177 7.7553 7.7553 8.4370 8.4370 8.5193 8.5193 8.7891 8.7891 k = 0.3396 0.4831 1.0047 ( 3786 PWs) bands (ev): -0.6086 -0.6086 -0.5209 -0.5209 0.9979 0.9979 1.4022 1.4022 1.4569 1.4569 3.6977 3.6977 3.7230 3.7230 3.8815 3.8815 4.0020 4.0020 4.0406 4.0406 4.3199 4.3199 5.0878 5.0878 5.2552 5.2552 5.4161 5.4161 5.6861 5.6861 5.8963 5.8963 5.9482 5.9482 6.1339 6.1339 6.2486 6.2486 6.4306 6.4306 6.8777 6.8777 7.8084 7.8084 8.4993 8.4993 8.5322 8.5322 8.7874 8.7874 k = 0.3282 0.4670 1.0047 ( 3790 PWs) bands (ev): -0.6074 -0.6074 -0.5200 -0.5200 1.0007 1.0007 1.4044 1.4044 1.4611 1.4611 3.7102 3.7102 3.7368 3.7368 3.8918 3.8918 4.0056 4.0056 4.0444 4.0444 4.3118 4.3118 5.0735 5.0735 5.2454 5.2454 5.3969 5.3969 5.6837 5.6837 5.8627 5.8627 5.9311 5.9311 6.1168 6.1168 6.2140 6.2140 6.4051 6.4051 6.8420 6.8420 7.8563 7.8563 8.5120 8.5120 8.6079 8.6079 8.7865 8.7865 k = 0.3169 0.4509 1.0047 ( 3794 PWs) bands (ev): -0.6061 -0.6061 -0.5190 -0.5190 1.0036 1.0036 1.4067 1.4067 1.4652 1.4652 3.7231 3.7231 3.7512 3.7512 3.9018 3.9018 4.0098 4.0098 4.0492 4.0492 4.3028 4.3028 5.0585 5.0585 5.2344 5.2344 5.3765 5.3765 5.6813 5.6813 5.8276 5.8276 5.9169 5.9169 6.0997 6.0997 6.1787 6.1787 6.3802 6.3802 6.8105 6.8105 7.8970 7.8970 8.5288 8.5288 8.6938 8.6938 8.7865 8.7865 k = 0.3056 0.4348 1.0047 ( 3802 PWs) bands (ev): -0.6048 -0.6048 -0.5181 -0.5181 1.0065 1.0065 1.4091 1.4091 1.4692 1.4692 3.7364 3.7364 3.7660 3.7660 3.9113 3.9113 4.0148 4.0148 4.0551 4.0551 4.2928 4.2928 5.0430 5.0430 5.2220 5.2220 5.3550 5.3550 5.6770 5.6770 5.7953 5.7953 5.9042 5.9042 6.0826 6.0826 6.1428 6.1428 6.3560 6.3560 6.7832 6.7832 7.9292 7.9292 8.5574 8.5574 8.7791 8.7791 8.7913 8.7913 k = 0.2943 0.4187 1.0047 ( 3804 PWs) bands (ev): -0.6035 -0.6035 -0.5172 -0.5172 1.0095 1.0095 1.4114 1.4114 1.4730 1.4730 3.7499 3.7499 3.7810 3.7810 3.9202 3.9202 4.0205 4.0205 4.0623 4.0623 4.2819 4.2819 5.0269 5.0269 5.2078 5.2078 5.3326 5.3326 5.6666 5.6666 5.7712 5.7712 5.8926 5.8926 6.0652 6.0652 6.1070 6.1070 6.3329 6.3329 6.7598 6.7598 7.9526 7.9526 8.5983 8.5983 8.7881 8.7881 8.8759 8.8759 k = 0.2830 0.4026 1.0047 ( 3800 PWs) bands (ev): -0.6022 -0.6022 -0.5163 -0.5163 1.0125 1.0125 1.4137 1.4137 1.4765 1.4765 3.7637 3.7637 3.7962 3.7962 3.9283 3.9283 4.0268 4.0268 4.0709 4.0709 4.2703 4.2703 5.0104 5.0104 5.1916 5.1916 5.3096 5.3096 5.6464 5.6464 5.7598 5.7598 5.8818 5.8818 6.0461 6.0461 6.0728 6.0728 6.3114 6.3114 6.7399 6.7399 7.9676 7.9676 8.6505 8.6505 8.7912 8.7912 8.9698 8.9698 k = 0.2717 0.3865 1.0047 ( 3808 PWs) bands (ev): -0.6009 -0.6009 -0.5155 -0.5155 1.0154 1.0154 1.4159 1.4159 1.4798 1.4798 3.7776 3.7776 3.8115 3.8115 3.9358 3.9358 4.0336 4.0336 4.0808 4.0808 4.2582 4.2582 4.9934 4.9934 5.1733 5.1733 5.2860 5.2860 5.6183 5.6183 5.7596 5.7596 5.8716 5.8716 6.0212 6.0212 6.0451 6.0451 6.2918 6.2918 6.7231 6.7231 7.9758 7.9758 8.7120 8.7120 8.7957 8.7957 9.0655 9.0655 k = 0.2603 0.3704 1.0047 ( 3800 PWs) bands (ev): -0.5996 -0.5996 -0.5146 -0.5146 1.0184 1.0184 1.4181 1.4181 1.4827 1.4827 3.7916 3.7916 3.8266 3.8266 3.9427 3.9427 4.0410 4.0410 4.0918 4.0918 4.2457 4.2457 4.9759 4.9759 5.1529 5.1529 5.2623 5.2623 5.5869 5.5869 5.7659 5.7659 5.8617 5.8617 5.9894 5.9894 6.0255 6.0255 6.2743 6.2743 6.7091 6.7091 7.9788 7.9788 8.7756 8.7756 8.8071 8.8071 9.1622 9.1622 k = 0.2490 0.3543 1.0047 ( 3804 PWs) bands (ev): -0.5983 -0.5983 -0.5138 -0.5138 1.0213 1.0213 1.4202 1.4202 1.4854 1.4854 3.8055 3.8055 3.8415 3.8415 3.9491 3.9491 4.0488 4.0488 4.1036 4.1036 4.2332 4.2332 4.9580 4.9580 5.1308 5.1308 5.2385 5.2385 5.5551 5.5551 5.7752 5.7752 5.8517 5.8517 5.9568 5.9568 6.0091 6.0091 6.2593 6.2593 6.6974 6.6974 7.9779 7.9779 8.8001 8.8001 8.8650 8.8650 9.2567 9.2567 k = 0.2377 0.3382 1.0047 ( 3804 PWs) bands (ev): -0.5970 -0.5970 -0.5131 -0.5131 1.0241 1.0241 1.4222 1.4222 1.4877 1.4877 3.8193 3.8193 3.8561 3.8561 3.9550 3.9550 4.0573 4.0573 4.1160 4.1160 4.2208 4.2208 4.9395 4.9395 5.1072 5.1072 5.2148 5.2148 5.5246 5.5246 5.7851 5.7851 5.8399 5.8399 5.9279 5.9279 5.9939 5.9939 6.2471 6.2471 6.6879 6.6879 7.9744 7.9744 8.8089 8.8089 8.9445 8.9445 9.3267 9.3267 k = 0.2264 0.3221 1.0047 ( 3804 PWs) bands (ev): -0.5958 -0.5958 -0.5124 -0.5124 1.0268 1.0268 1.4241 1.4241 1.4897 1.4897 3.8329 3.8329 3.8701 3.8701 3.9606 3.9606 4.0663 4.0663 4.1283 4.1283 4.2091 4.2091 4.9206 4.9206 5.0830 5.0830 5.1914 5.1914 5.4957 5.4957 5.7927 5.7927 5.8243 5.8243 5.9067 5.9067 5.9795 5.9795 6.2382 6.2382 6.6803 6.6803 7.9691 7.9691 8.8177 8.8177 9.0287 9.0287 9.3620 9.3620 k = 0.2151 0.3060 1.0047 ( 3808 PWs) bands (ev): -0.5946 -0.5946 -0.5118 -0.5118 1.0295 1.0295 1.4259 1.4259 1.4914 1.4914 3.8461 3.8461 3.8834 3.8834 3.9658 3.9658 4.0759 4.0759 4.1398 4.1398 4.1987 4.1987 4.9012 4.9012 5.0586 5.0586 5.1684 5.1684 5.4687 5.4687 5.7891 5.7891 5.8106 5.8106 5.8959 5.8959 5.9657 5.9657 6.2329 6.2329 6.6744 6.6744 7.9627 7.9627 8.8276 8.8276 9.1155 9.1155 9.3927 9.3927 k = 0.2037 0.2898 1.0047 ( 3808 PWs) bands (ev): -0.5934 -0.5934 -0.5112 -0.5112 1.0321 1.0321 1.4275 1.4275 1.4928 1.4928 3.8590 3.8590 3.8957 3.8957 3.9709 3.9709 4.0859 4.0859 4.1495 4.1495 4.1909 4.1909 4.8813 4.8813 5.0348 5.0348 5.1461 5.1461 5.4436 5.4436 5.7646 5.7646 5.8096 5.8096 5.8932 5.8932 5.9527 5.9527 6.2318 6.2318 6.6700 6.6700 7.9556 7.9556 8.8389 8.8389 9.2040 9.2040 9.4247 9.4247 k = 0.1924 0.2737 1.0047 ( 3820 PWs) bands (ev): -0.5923 -0.5923 -0.5107 -0.5107 1.0345 1.0345 1.4289 1.4289 1.4939 1.4939 3.8715 3.8715 3.9069 3.9069 3.9757 3.9757 4.0962 4.0962 4.1548 4.1548 4.1881 4.1881 4.8614 4.8614 5.0118 5.0118 5.1248 5.1248 5.4202 5.4202 5.7337 5.7337 5.8099 5.8099 5.8943 5.8943 5.9407 5.9407 6.2352 6.2352 6.6670 6.6670 7.9482 7.9482 8.8517 8.8517 9.2931 9.2931 9.4593 9.4593 k = 0.1811 0.2576 1.0047 ( 3816 PWs) bands (ev): -0.5912 -0.5912 -0.5102 -0.5102 1.0369 1.0369 1.4302 1.4302 1.4948 1.4948 3.8835 3.8835 3.9167 3.9167 3.9804 3.9804 4.1063 4.1063 4.1549 4.1549 4.1916 4.1916 4.8416 4.8416 4.9900 4.9900 5.1046 5.1046 5.3984 5.3984 5.7014 5.7014 5.8094 5.8094 5.8951 5.8951 5.9306 5.9306 6.2434 6.2434 6.6652 6.6652 7.9406 7.9406 8.8659 8.8659 9.3817 9.3817 9.4971 9.4971 k = 0.1698 0.2415 1.0047 ( 3816 PWs) bands (ev): -0.5902 -0.5902 -0.5098 -0.5098 1.0391 1.0391 1.4313 1.4313 1.4955 1.4955 3.8948 3.8948 3.9247 3.9247 3.9850 3.9850 4.1156 4.1156 4.1534 4.1534 4.1984 4.1984 4.8224 4.8224 4.9694 4.9694 5.0860 5.0860 5.3780 5.3780 5.6689 5.6689 5.8083 5.8083 5.8925 5.8925 5.9236 5.9236 6.2560 6.2560 6.6644 6.6644 7.9332 7.9332 8.8818 8.8818 9.4677 9.4677 9.5399 9.5399 k = 0.1585 0.2254 1.0047 ( 3816 PWs) bands (ev): -0.5893 -0.5893 -0.5094 -0.5094 1.0411 1.0411 1.4322 1.4322 1.4960 1.4960 3.9055 3.9055 3.9310 3.9310 3.9895 3.9895 4.1226 4.1226 4.1546 4.1546 4.2057 4.2057 4.8043 4.8043 4.9498 4.9498 5.0691 5.0691 5.3589 5.3589 5.6369 5.6369 5.8071 5.8071 5.8856 5.8856 5.9199 5.9199 6.2725 6.2725 6.6647 6.6647 7.9259 7.9259 8.8991 8.8991 9.5448 9.5448 9.5932 9.5932 k = 0.1471 0.2093 1.0047 ( 3816 PWs) bands (ev): -0.5884 -0.5884 -0.5090 -0.5090 1.0430 1.0430 1.4329 1.4329 1.4963 1.4963 3.9153 3.9153 3.9352 3.9352 3.9941 3.9941 4.1264 4.1264 4.1602 4.1602 4.2124 4.2124 4.7876 4.7876 4.9312 4.9312 5.0541 5.0541 5.3411 5.3411 5.6056 5.6056 5.8058 5.8058 5.8761 5.8761 5.9176 5.9176 6.2924 6.2924 6.6658 6.6658 7.9190 7.9190 8.9180 8.9180 9.6050 9.6050 9.6646 9.6646 k = 0.1358 0.1932 1.0047 ( 3826 PWs) bands (ev): -0.5875 -0.5875 -0.5087 -0.5087 1.0448 1.0448 1.4334 1.4334 1.4966 1.4966 3.9242 3.9242 3.9376 3.9376 3.9987 3.9987 4.1283 4.1283 4.1693 4.1693 4.2182 4.2182 4.7725 4.7725 4.9135 4.9135 5.0413 5.0413 5.3245 5.3245 5.5752 5.5752 5.8044 5.8044 5.8657 5.8657 5.9154 5.9154 6.3145 6.3145 6.6675 6.6675 7.9124 7.9124 8.9382 8.9382 9.6572 9.6572 9.7443 9.7443 k = 0.1245 0.1771 1.0047 ( 3822 PWs) bands (ev): -0.5868 -0.5868 -0.5085 -0.5085 1.0464 1.0464 1.4337 1.4337 1.4968 1.4968 3.9316 3.9316 3.9386 3.9386 4.0035 4.0035 4.1298 4.1298 4.1798 4.1798 4.2228 4.2228 4.7593 4.7593 4.8969 4.8969 5.0305 5.0305 5.3092 5.3092 5.5460 5.5460 5.8031 5.8031 5.8552 5.8552 5.9130 5.9130 6.3380 6.3380 6.6698 6.6698 7.9062 7.9062 8.9596 8.9596 9.7092 9.7092 9.8237 9.8237 k = 0.1132 0.1610 1.0047 ( 3810 PWs) bands (ev): -0.5861 -0.5861 -0.5083 -0.5083 1.0479 1.0479 1.4338 1.4338 1.4969 1.4969 3.9347 3.9347 3.9414 3.9414 4.0084 4.0084 4.1318 4.1318 4.1905 4.1905 4.2267 4.2267 4.7478 4.7478 4.8814 4.8814 5.0217 5.0217 5.2952 5.2952 5.5180 5.5180 5.8017 5.8017 5.8450 5.8450 5.9104 5.9104 6.3621 6.3621 6.6726 6.6726 7.9004 7.9004 8.9819 8.9819 9.7626 9.7626 9.9000 9.9000 k = 0.1019 0.1449 1.0047 ( 3818 PWs) bands (ev): -0.5855 -0.5855 -0.5081 -0.5081 1.0493 1.0493 1.4339 1.4339 1.4970 1.4970 3.9332 3.9332 3.9465 3.9465 4.0135 4.0135 4.1343 4.1343 4.2005 4.2005 4.2304 4.2304 4.7378 4.7378 4.8673 4.8673 5.0147 5.0147 5.2826 5.2826 5.4914 5.4914 5.8002 5.8002 5.8353 5.8353 5.9077 5.9077 6.3860 6.3860 6.6756 6.6756 7.8952 7.8952 9.0049 9.0049 9.8177 9.8177 9.9718 9.9718 k = 0.0906 0.1288 1.0047 ( 3810 PWs) bands (ev): -0.5849 -0.5849 -0.5079 -0.5079 1.0504 1.0504 1.4337 1.4337 1.4970 1.4970 3.9303 3.9303 3.9512 3.9512 4.0185 4.0185 4.1371 4.1371 4.2087 4.2087 4.2347 4.2347 4.7290 4.7290 4.8550 4.8550 5.0093 5.0093 5.2714 5.2714 5.4663 5.4663 5.7987 5.7987 5.8263 5.8263 5.9051 5.9051 6.4091 6.4091 6.6787 6.6787 7.8904 7.8904 9.0281 9.0281 9.8741 9.8741 10.0381 10.0381 k = 0.0792 0.1127 1.0047 ( 3808 PWs) bands (ev): -0.5844 -0.5844 -0.5078 -0.5078 1.0515 1.0515 1.4336 1.4336 1.4971 1.4971 3.9270 3.9270 3.9550 3.9550 4.0234 4.0234 4.1400 4.1400 4.2141 4.2141 4.2408 4.2408 4.7211 4.7211 4.8445 4.8445 5.0052 5.0052 5.2618 5.2618 5.4428 5.4428 5.7971 5.7971 5.8181 5.8181 5.9028 5.9028 6.4307 6.4307 6.6817 6.6817 7.8862 7.8862 9.0509 9.0509 9.9311 9.9311 10.0979 10.0979 k = 0.0679 0.0966 1.0047 ( 3802 PWs) bands (ev): -0.5840 -0.5840 -0.5077 -0.5077 1.0524 1.0524 1.4333 1.4333 1.4971 1.4971 3.9235 3.9235 3.9578 3.9578 4.0281 4.0281 4.1428 4.1428 4.2168 4.2168 4.2483 4.2483 4.7138 4.7138 4.8362 4.8362 5.0022 5.0022 5.2539 5.2539 5.4214 5.4214 5.7954 5.7954 5.8109 5.8109 5.9007 5.9007 6.4505 6.4505 6.6846 6.6846 7.8825 7.8825 9.0729 9.0729 9.9875 9.9875 10.1505 10.1505 k = 0.0566 0.0805 1.0047 ( 3802 PWs) bands (ev): -0.5836 -0.5836 -0.5076 -0.5076 1.0531 1.0531 1.4330 1.4330 1.4972 1.4972 3.9202 3.9202 3.9599 3.9599 4.0324 4.0324 4.1455 4.1455 4.2179 4.2179 4.2562 4.2562 4.7070 4.7070 4.8299 4.8299 5.0002 5.0002 5.2476 5.2476 5.4021 5.4021 5.7938 5.7938 5.8048 5.8048 5.8991 5.8991 6.4679 6.4679 6.6873 6.6873 7.8794 7.8794 9.0933 9.0933 10.0418 10.0418 10.1954 10.1954 k = 0.0453 0.0644 1.0047 ( 3804 PWs) bands (ev): -0.5833 -0.5833 -0.5076 -0.5076 1.0537 1.0537 1.4328 1.4328 1.4972 1.4972 3.9173 3.9173 3.9614 3.9614 4.0361 4.0361 4.1477 4.1477 4.2181 4.2181 4.2637 4.2637 4.7008 4.7008 4.8254 4.8254 4.9988 4.9988 5.2429 5.2429 5.3853 5.3853 5.7920 5.7920 5.7999 5.7999 5.8978 5.8978 6.4826 6.4826 6.6895 6.6895 7.8768 7.8768 9.1113 9.1113 10.0922 10.0922 10.2320 10.2320 k = 0.0340 0.0483 1.0047 ( 3812 PWs) bands (ev): -0.5831 -0.5831 -0.5075 -0.5075 1.0542 1.0542 1.4325 1.4325 1.4973 1.4973 3.9148 3.9148 3.9624 3.9624 4.0391 4.0391 4.1495 4.1495 4.2180 4.2180 4.2700 4.2700 4.6955 4.6955 4.8225 4.8225 4.9980 4.9980 5.2397 5.2397 5.3715 5.3715 5.7903 5.7903 5.7963 5.7963 5.8968 5.8968 6.4944 6.4944 6.6914 6.6914 7.8748 7.8748 9.1263 9.1263 10.1359 10.1359 10.2604 10.2604 k = 0.0226 0.0322 1.0047 ( 3812 PWs) bands (ev): -0.5829 -0.5829 -0.5075 -0.5075 1.0545 1.0545 1.4323 1.4323 1.4973 1.4973 3.9130 3.9130 3.9629 3.9629 4.0413 4.0413 4.1508 4.1508 4.2178 4.2178 4.2749 4.2749 4.6914 4.6914 4.8207 4.8207 4.9975 4.9975 5.2378 5.2378 5.3612 5.3612 5.7887 5.7887 5.7940 5.7940 5.8961 5.8961 6.5030 6.5030 6.6927 6.6927 7.8734 7.8734 9.1376 9.1376 10.1703 10.1703 10.2804 10.2804 k = 0.0113 0.0161 1.0047 ( 3812 PWs) bands (ev): -0.5828 -0.5828 -0.5075 -0.5075 1.0547 1.0547 1.4322 1.4322 1.4973 1.4973 3.9119 3.9119 3.9633 3.9633 4.0427 4.0427 4.1516 4.1516 4.2176 4.2176 4.2779 4.2779 4.6888 4.6888 4.8198 4.8198 4.9972 4.9972 5.2368 5.2368 5.3547 5.3547 5.7875 5.7875 5.7928 5.7928 5.8957 5.8957 6.5082 6.5082 6.6935 6.6935 7.8725 7.8725 9.1446 9.1446 10.1924 10.1924 10.2924 10.2924 k = 0.0000 0.0000 1.0047 ( 3804 PWs) bands (ev): -0.5828 -0.5828 -0.5074 -0.5074 1.0548 1.0548 1.4322 1.4322 1.4973 1.4973 3.9115 3.9115 3.9634 3.9634 4.0431 4.0431 4.1519 4.1519 4.2176 4.2176 4.2789 4.2789 4.6879 4.6879 4.8195 4.8195 4.9971 4.9971 5.2365 5.2365 5.3525 5.3525 5.7871 5.7871 5.7925 5.7925 5.8956 5.8956 6.5100 6.5100 6.6938 6.6938 7.8722 7.8722 9.1470 9.1470 10.2000 10.2000 10.2964 10.2964 k = 0.0000 0.0000 1.0047 ( 3804 PWs) bands (ev): -0.5828 -0.5828 -0.5074 -0.5074 1.0548 1.0548 1.4322 1.4322 1.4973 1.4973 3.9115 3.9115 3.9634 3.9634 4.0431 4.0431 4.1519 4.1519 4.2176 4.2176 4.2789 4.2789 4.6879 4.6879 4.8195 4.8195 4.9971 4.9971 5.2365 5.2365 5.3525 5.3525 5.7871 5.7871 5.7925 5.7925 5.8956 5.8956 6.5100 6.5100 6.6938 6.6938 7.8722 7.8722 9.1470 9.1470 10.2000 10.2000 10.2964 10.2964 k = 0.0000 0.0000 0.9846 ( 3806 PWs) bands (ev): -0.5826 -0.5826 -0.5074 -0.5074 1.0552 1.0552 1.4319 1.4319 1.4967 1.4967 3.9114 3.9114 3.9593 3.9593 4.0447 4.0447 4.1518 4.1518 4.2169 4.2169 4.2788 4.2788 4.6525 4.6525 4.8540 4.8540 4.9971 4.9971 5.2362 5.2362 5.3529 5.3529 5.7853 5.7853 5.7942 5.7942 5.8960 5.8960 6.5082 6.5082 6.6909 6.6909 7.8761 7.8761 9.1291 9.1291 10.1591 10.1591 10.3178 10.3178 k = 0.0000 0.0000 0.9646 ( 3810 PWs) bands (ev): -0.5821 -0.5821 -0.5072 -0.5072 1.0564 1.0564 1.4312 1.4312 1.4948 1.4948 3.9096 3.9096 3.9482 3.9482 4.0489 4.0489 4.1516 4.1516 4.2148 4.2148 4.2785 4.2785 4.5888 4.5888 4.9141 4.9141 4.9988 4.9988 5.2356 5.2356 5.3540 5.3540 5.7821 5.7821 5.7971 5.7971 5.8970 5.8970 6.5031 6.5031 6.6824 6.6824 7.8868 7.8868 9.0807 9.0807 10.0547 10.0547 10.3794 10.3794 k = 0.0000 0.0000 0.9445 ( 3810 PWs) bands (ev): -0.5813 -0.5813 -0.5068 -0.5068 1.0584 1.0584 1.4301 1.4301 1.4916 1.4916 3.8982 3.8982 3.9370 3.9370 4.0549 4.0549 4.1511 4.1511 4.2114 4.2114 4.2779 4.2779 4.5249 4.5249 4.9608 4.9608 5.0152 5.0152 5.2345 5.2345 5.3558 5.3558 5.7788 5.7788 5.8000 5.8000 5.8988 5.8988 6.4945 6.4945 6.6687 6.6687 7.9020 7.9020 9.0141 9.0141 9.9190 9.9190 10.4678 10.4678 k = 0.0000 0.0000 0.9244 ( 3806 PWs) bands (ev): -0.5801 -0.5801 -0.5064 -0.5064 1.0612 1.0612 1.4284 1.4284 1.4872 1.4872 3.8657 3.8657 3.9351 3.9351 4.0622 4.0622 4.1502 4.1502 4.2071 4.2071 4.2771 4.2771 4.4690 4.4690 4.9707 4.9707 5.0641 5.0641 5.2332 5.2332 5.3582 5.3582 5.7756 5.7756 5.8026 5.8026 5.9012 5.9012 6.4824 6.4824 6.6503 6.6503 7.9177 7.9177 8.9424 8.9424 9.7708 9.7708 10.5659 10.5659 k = 0.0000 0.0000 0.9043 ( 3802 PWs) bands (ev): -0.5786 -0.5786 -0.5058 -0.5058 1.0648 1.0648 1.4263 1.4263 1.4815 1.4815 3.8136 3.8136 3.9391 3.9391 4.0704 4.0704 4.1489 4.1489 4.2025 4.2025 4.2760 4.2760 4.4248 4.4248 4.9675 4.9675 5.1197 5.1197 5.2317 5.2317 5.3613 5.3613 5.7726 5.7726 5.8049 5.8049 5.9041 5.9041 6.4668 6.4668 6.6277 6.6277 7.9283 7.9283 8.8775 8.8775 9.6192 9.6192 10.6535 10.6535 k = 0.0000 0.0000 0.8842 ( 3802 PWs) bands (ev): -0.5769 -0.5769 -0.5051 -0.5051 1.0692 1.0692 1.4238 1.4238 1.4747 1.4747 3.7450 3.7450 3.9458 3.9458 4.0794 4.0794 4.1474 4.1474 4.1984 4.1984 4.2748 4.2748 4.3927 4.3927 4.9611 4.9611 5.1713 5.1713 5.2303 5.2303 5.3650 5.3650 5.7697 5.7697 5.8069 5.8069 5.9074 5.9074 6.4478 6.4478 6.6014 6.6014 7.9273 7.9273 8.8293 8.8293 9.4686 9.4686 10.7076 10.7076 k = 0.0000 0.0000 0.8641 ( 3808 PWs) bands (ev): -0.5750 -0.5750 -0.5043 -0.5043 1.0744 1.0744 1.4207 1.4207 1.4668 1.4668 3.6623 3.6623 3.9543 3.9543 4.0889 4.0889 4.1457 4.1457 4.1954 4.1954 4.2736 4.2736 4.3710 4.3710 4.9533 4.9533 5.2151 5.2151 5.2307 5.2307 5.3694 5.3694 5.7669 5.7669 5.8085 5.8085 5.9110 5.9110 6.4253 6.4253 6.5718 6.5718 7.9094 7.9094 8.8042 8.8042 9.3216 9.3216 10.7129 10.7129 k = 0.0000 0.0000 0.8440 ( 3812 PWs) bands (ev): -0.5728 -0.5728 -0.5034 -0.5034 1.0804 1.0804 1.4172 1.4172 1.4578 1.4578 3.5688 3.5688 3.9642 3.9642 4.0989 4.0989 4.1439 4.1439 4.1940 4.1940 4.2725 4.2725 4.3568 4.3568 4.9446 4.9446 5.2256 5.2256 5.2574 5.2574 5.3749 5.3749 5.7642 5.7642 5.8099 5.8099 5.9146 5.9146 6.3994 6.3994 6.5390 6.5390 7.8731 7.8731 8.8036 8.8036 9.1798 9.1798 10.6769 10.6769 k = 0.0000 0.0000 0.8239 ( 3804 PWs) bands (ev): -0.5706 -0.5706 -0.5024 -0.5024 1.0871 1.0871 1.4132 1.4132 1.4479 1.4479 3.4674 3.4674 3.9754 3.9754 4.1090 4.1090 4.1422 4.1422 4.1941 4.1941 4.2719 4.2719 4.3474 4.3474 4.9356 4.9356 5.2248 5.2248 5.2875 5.2875 5.3823 5.3823 5.7615 5.7615 5.8112 5.8112 5.9180 5.9180 6.3704 6.3704 6.5032 6.5032 7.8209 7.8209 8.8232 8.8232 9.0449 9.0449 10.6194 10.6194 k = 0.0000 0.0000 0.8038 ( 3798 PWs) bands (ev): -0.5682 -0.5682 -0.5013 -0.5013 1.0947 1.0947 1.4086 1.4086 1.4371 1.4371 3.3607 3.3607 3.9876 3.9876 4.1181 4.1181 4.1409 4.1409 4.1956 4.1956 4.2717 4.2717 4.3412 4.3412 4.9267 4.9267 5.2240 5.2240 5.3091 5.3091 5.3924 5.3924 5.7586 5.7586 5.8124 5.8124 5.9210 5.9210 6.3386 6.3386 6.4645 6.4645 7.7580 7.7580 8.8502 8.8502 8.9232 8.9232 10.5540 10.5540 k = 0.0000 0.0000 0.7837 ( 3806 PWs) bands (ev): -0.5659 -0.5659 -0.5002 -0.5002 1.1030 1.1030 1.4032 1.4032 1.4258 1.4258 3.2506 3.2506 4.0007 4.0007 4.1229 4.1229 4.1427 4.1427 4.1987 4.1987 4.2719 4.2719 4.3367 4.3367 4.9182 4.9182 5.2234 5.2234 5.3219 5.3219 5.4055 5.4055 5.7555 5.7555 5.8134 5.8134 5.9233 5.9233 6.3042 6.3042 6.4230 6.4230 7.6899 7.6899 8.7850 8.7850 8.9071 8.9071 10.4844 10.4844 k = 0.0000 0.0000 0.7636 ( 3808 PWs) bands (ev): -0.5636 -0.5636 -0.4991 -0.4991 1.1121 1.1121 1.3966 1.3966 1.4145 1.4145 3.1385 3.1385 4.0142 4.0142 4.1202 4.1202 4.1503 4.1503 4.2033 4.2033 4.2726 4.2726 4.3332 4.3332 4.9104 4.9104 5.2231 5.2231 5.3272 5.3272 5.4206 5.4206 5.7520 5.7520 5.8142 5.8142 5.9246 5.9246 6.2679 6.2679 6.3789 6.3789 7.6207 7.6207 8.6744 8.6744 8.9434 8.9434 10.4077 10.4077 k = 0.0000 0.0000 0.7435 ( 3806 PWs) bands (ev): -0.5614 -0.5614 -0.4979 -0.4979 1.1219 1.1219 1.3879 1.3879 1.4042 1.4042 3.0256 3.0256 4.0275 4.0275 4.1133 4.1133 4.1605 4.1605 4.2089 4.2089 4.2736 4.2736 4.3303 4.3303 4.9037 4.9037 5.2233 5.2233 5.3271 5.3271 5.4360 5.4360 5.7479 5.7479 5.8145 5.8145 5.9245 5.9245 6.2304 6.2304 6.3327 6.3327 7.5534 7.5534 8.5695 8.5695 8.9760 8.9760 10.3195 10.3195 k = 0.0000 0.0000 0.7234 ( 3802 PWs) bands (ev): -0.5594 -0.5594 -0.4968 -0.4968 1.1324 1.1324 1.3763 1.3763 1.3956 1.3956 2.9127 2.9127 4.0389 4.0389 4.1053 4.1053 4.1712 4.1712 4.2154 4.2154 4.2749 4.2749 4.3275 4.3275 4.8984 4.8984 5.2239 5.2239 5.3227 5.3227 5.4511 5.4511 5.7431 5.7431 5.8139 5.8139 5.9225 5.9225 6.1925 6.1925 6.2855 6.2855 7.4899 7.4899 8.4723 8.4723 8.9995 8.9995 10.2199 10.2199 k = 0.0000 0.0000 0.7033 ( 3806 PWs) bands (ev): -0.5577 -0.5577 -0.4956 -0.4956 1.1436 1.1436 1.3625 1.3625 1.3883 1.3883 2.8005 2.8005 4.0442 4.0442 4.1006 4.1006 4.1814 4.1814 4.2222 4.2222 4.2761 4.2761 4.3248 4.3248 4.8947 4.8947 5.2249 5.2249 5.3149 5.3149 5.4656 5.4656 5.7370 5.7370 5.8120 5.8120 5.9184 5.9184 6.1551 6.1551 6.2389 6.2389 7.4313 7.4313 8.3833 8.3833 9.0126 9.0126 10.1120 10.1120 k = 0.0000 0.0000 0.6832 ( 3806 PWs) bands (ev): -0.5564 -0.5564 -0.4944 -0.4944 1.1555 1.1555 1.3475 1.3475 1.3815 1.3815 2.6895 2.6895 4.0380 4.0380 4.1046 4.1046 4.1908 4.1908 4.2288 4.2288 4.2773 4.2773 4.3220 4.3220 4.8928 4.8928 5.2261 5.2261 5.3043 5.3043 5.4796 5.4796 5.7290 5.7290 5.8084 5.8084 5.9121 5.9121 6.1182 6.1182 6.1956 6.1956 7.3782 7.3782 8.3022 8.3022 9.0157 9.0157 9.9990 9.9990 k = 0.0000 0.0000 0.6631 ( 3806 PWs) bands (ev): -0.5556 -0.5556 -0.4933 -0.4933 1.1680 1.1680 1.3316 1.3316 1.3747 1.3747 2.5804 2.5804 4.0216 4.0216 4.1158 4.1158 4.1987 4.1987 4.2347 4.2347 4.2783 4.2783 4.3194 4.3194 4.8929 4.8929 5.2274 5.2274 5.2916 5.2916 5.4930 5.4930 5.7180 5.7180 5.8028 5.8028 5.9039 5.9039 6.0807 6.0807 6.1596 6.1596 7.3307 7.3307 8.2288 8.2288 9.0106 9.0106 9.8831 9.8831 k = 0.0000 0.0000 0.6430 ( 3810 PWs) bands (ev): -0.5553 -0.5553 -0.4923 -0.4923 1.1812 1.1812 1.3151 1.3151 1.3678 1.3678 2.4734 2.4734 3.9990 3.9990 4.1299 4.1299 4.2046 4.2046 4.2393 4.2393 4.2791 4.2791 4.3171 4.3171 4.8950 4.8950 5.2281 5.2281 5.2779 5.2779 5.5060 5.5060 5.7027 5.7027 5.7955 5.7955 5.8946 5.8946 6.0422 6.0422 6.1337 6.1337 7.2887 7.2887 8.1628 8.1628 8.9994 8.9994 9.7658 9.7658 k = 0.0000 0.0000 0.6229 ( 3808 PWs) bands (ev): -0.5557 -0.5557 -0.4913 -0.4913 1.1948 1.1948 1.2983 1.2983 1.3609 1.3609 2.3689 2.3689 3.9722 3.9722 4.1445 4.1445 4.2077 4.2077 4.2422 4.2422 4.2794 4.2794 4.3156 4.3156 4.8991 4.8991 5.2269 5.2269 5.2652 5.2652 5.5185 5.5185 5.6825 5.6825 5.7871 5.7871 5.8844 5.8844 6.0054 6.0054 6.1175 6.1175 7.2517 7.2517 8.1036 8.1036 8.9841 8.9841 9.6481 9.6481 k = 0.0000 0.0000 0.6028 ( 3808 PWs) bands (ev): -0.5568 -0.5568 -0.4903 -0.4903 1.2090 1.2090 1.2812 1.2812 1.3539 1.3539 2.2673 2.2673 3.9421 3.9421 4.1579 4.1579 4.2075 4.2075 4.2433 4.2433 4.2792 4.2792 4.3152 4.3152 4.9051 4.9051 5.2208 5.2208 5.2568 5.2568 5.5302 5.5302 5.6584 5.6584 5.7775 5.7775 5.8728 5.8728 5.9748 5.9748 6.1087 6.1087 7.2194 7.2194 8.0509 8.0509 8.9664 8.9664 9.5305 9.5305 k = 0.0000 0.0000 0.5827 ( 3802 PWs) bands (ev): -0.5587 -0.5587 -0.4895 -0.4895 1.2233 1.2233 1.2641 1.2641 1.3468 1.3468 2.1689 2.1689 3.9090 3.9090 4.1685 4.1685 4.2038 4.2038 4.2430 4.2430 4.2779 4.2779 4.3162 4.3162 4.9130 4.9130 5.2089 5.2089 5.2544 5.2544 5.5403 5.5403 5.6334 5.6334 5.7649 5.7649 5.8605 5.8605 5.9538 5.9538 6.1052 6.1052 7.1913 7.1913 8.0040 8.0040 8.9478 8.9478 9.4135 9.4135 k = 0.0000 0.0000 0.5627 ( 3802 PWs) bands (ev): -0.5616 -0.5616 -0.4887 -0.4887 1.2357 1.2357 1.2491 1.2491 1.3397 1.3397 2.0738 2.0738 3.8735 3.8735 4.1735 4.1735 4.1971 4.1971 4.2427 4.2427 4.2754 4.2754 4.3183 4.3183 4.9226 4.9226 5.1939 5.1939 5.2559 5.2559 5.5471 5.5471 5.6118 5.6118 5.7471 5.7471 5.8510 5.8510 5.9423 5.9423 6.1054 6.1054 7.1670 7.1670 7.9623 7.9623 8.9291 8.9291 9.2974 9.2974 k = 0.0000 0.0000 0.5426 ( 3802 PWs) bands (ev): -0.5655 -0.5655 -0.4880 -0.4880 1.2264 1.2264 1.2558 1.2558 1.3327 1.3327 1.9825 1.9825 3.8358 3.8358 4.1692 4.1692 4.1884 4.1884 4.2442 4.2442 4.2715 4.2715 4.3212 4.3212 4.9336 4.9336 5.1785 5.1785 5.2595 5.2595 5.5471 5.5471 5.5995 5.5995 5.7241 5.7241 5.8474 5.8474 5.9376 5.9376 6.1084 6.1084 7.1459 7.1459 7.9254 7.9254 8.9111 8.9111 9.1824 9.1824 k = 0.0000 0.0000 0.5225 ( 3794 PWs) bands (ev): -0.5704 -0.5704 -0.4874 -0.4874 1.2090 1.2090 1.2702 1.2702 1.3262 1.3262 1.8951 1.8951 3.7962 3.7962 4.1555 4.1555 4.1769 4.1769 4.2478 4.2478 4.2663 4.2663 4.3244 4.3244 4.9459 4.9459 5.1642 5.1642 5.2651 5.2651 5.5392 5.5392 5.5989 5.5989 5.6989 5.6989 5.8498 5.8498 5.9370 5.9370 6.1136 6.1136 7.1277 7.1277 7.8928 7.8928 8.8942 8.8942 9.0687 9.0687 k = 0.0000 0.0000 0.5024 ( 3794 PWs) bands (ev): -0.5764 -0.5764 -0.4869 -0.4869 1.1910 1.1910 1.2838 1.2838 1.3212 1.3212 1.8120 1.8120 3.7550 3.7550 4.1356 4.1356 4.1605 4.1605 4.2516 4.2516 4.2607 4.2607 4.3273 4.3273 4.9590 4.9590 5.1521 5.1521 5.2729 5.2729 5.5293 5.5293 5.6047 5.6047 5.6744 5.6744 5.8566 5.8566 5.9390 5.9390 6.1206 6.1206 7.1120 7.1120 7.8639 7.8639 8.8786 8.8786 8.9564 8.9564 k = 0.0000 0.0000 0.4823 ( 3794 PWs) bands (ev): -0.5836 -0.5836 -0.4865 -0.4865 1.1726 1.1726 1.2927 1.2927 1.3213 1.3213 1.7334 1.7334 3.7126 3.7126 4.1109 4.1109 4.1390 4.1390 4.2490 4.2490 4.2598 4.2598 4.3298 4.3298 4.9728 4.9728 5.1432 5.1432 5.2833 5.2833 5.5214 5.5214 5.6127 5.6127 5.6527 5.6527 5.8667 5.8667 5.9430 5.9430 6.1292 6.1292 7.0985 7.0985 7.8383 7.8383 8.8457 8.8457 8.8645 8.8645 k = 0.0000 0.0000 0.4622 ( 3794 PWs) bands (ev): -0.5918 -0.5918 -0.4862 -0.4862 1.1538 1.1538 1.2925 1.2925 1.3306 1.3306 1.6596 1.6596 3.6693 3.6693 4.0823 4.0823 4.1129 4.1129 4.2407 4.2407 4.2622 4.2622 4.3315 4.3315 4.9870 4.9870 5.1387 5.1387 5.2968 5.2968 5.5162 5.5162 5.6215 5.6215 5.6352 5.6352 5.8793 5.8793 5.9485 5.9485 6.1393 6.1393 7.0868 7.0868 7.8156 7.8156 8.7367 8.7367 8.8518 8.8518 k = 0.0000 0.0000 0.4421 ( 3790 PWs) bands (ev): -0.6012 -0.6012 -0.4860 -0.4860 1.1343 1.1343 1.2873 1.2873 1.3449 1.3449 1.5911 1.5911 3.6253 3.6253 4.0501 4.0501 4.0829 4.0829 4.2306 4.2306 4.2636 4.2636 4.3323 4.3323 5.0017 5.0017 5.1388 5.1388 5.3134 5.3134 5.5133 5.5133 5.6216 5.6216 5.6314 5.6314 5.8938 5.8938 5.9554 5.9554 6.1508 6.1508 7.0769 7.0769 7.7954 7.7954 8.6295 8.6295 8.7495 8.7495 k = 0.0000 0.0000 0.4220 ( 3790 PWs) bands (ev): -0.6117 -0.6117 -0.4859 -0.4859 1.1139 1.1139 1.2807 1.2807 1.3607 1.3607 1.5282 1.5282 3.5811 3.5811 4.0150 4.0150 4.0495 4.0495 4.2196 4.2196 4.2634 4.2634 4.3323 4.3323 5.0172 5.0172 5.1437 5.1437 5.3332 5.3332 5.5119 5.5119 5.6139 5.6139 5.6410 5.6410 5.9097 5.9097 5.9637 5.9637 6.1638 6.1638 7.0683 7.0683 7.7774 7.7774 8.5240 8.5240 8.6408 8.6408 k = 0.0000 0.0000 0.4019 ( 3798 PWs) bands (ev): -0.6233 -0.6233 -0.4859 -0.4859 1.0922 1.0922 1.2736 1.2736 1.3765 1.3765 1.4717 1.4717 3.5369 3.5369 3.9774 3.9774 4.0134 4.0134 4.2077 4.2077 4.2615 4.2615 4.3315 4.3315 5.0338 5.0338 5.1527 5.1527 5.3559 5.3559 5.5115 5.5115 5.6109 5.6109 5.6513 5.6513 5.9265 5.9265 5.9734 5.9734 6.1783 6.1783 7.0609 7.0609 7.7611 7.7611 8.4206 8.4206 8.5344 8.5344 k = 0.0000 0.0000 0.3818 ( 3793 PWs) bands (ev): -0.6357 -0.6357 -0.4859 -0.4859 1.0690 1.0690 1.2663 1.2663 1.3897 1.3897 1.4242 1.4242 3.4931 3.4931 3.9379 3.9379 3.9753 3.9753 4.1951 4.1951 4.2583 4.2583 4.3301 4.3301 5.0522 5.0522 5.1647 5.1647 5.3809 5.3809 5.5119 5.5119 5.6123 5.6123 5.6623 5.6623 5.9439 5.9439 5.9846 5.9846 6.1942 6.1942 7.0546 7.0546 7.7462 7.7462 8.3191 8.3191 8.4305 8.4305 k = 0.0000 0.0000 0.3617 ( 3789 PWs) bands (ev): -0.6490 -0.6490 -0.4861 -0.4861 1.0441 1.0441 1.2589 1.2589 1.3710 1.3710 1.4151 1.4151 3.4499 3.4499 3.8969 3.8969 3.9360 3.9360 4.1821 4.1821 4.2539 4.2539 4.3282 4.3282 5.0724 5.0724 5.1789 5.1789 5.4078 5.4078 5.5133 5.5133 5.6173 5.6173 5.6740 5.6740 5.9617 5.9617 5.9974 5.9974 6.2116 6.2116 7.0493 7.0493 7.7324 7.7324 8.2197 8.2197 8.3294 8.3294 k = 0.0000 0.0000 0.3416 ( 3781 PWs) bands (ev): -0.6631 -0.6631 -0.4863 -0.4863 1.0172 1.0172 1.2515 1.2515 1.3352 1.3352 1.4295 1.4295 3.4076 3.4076 3.8549 3.8549 3.8962 3.8962 4.1688 4.1688 4.2486 4.2486 4.3259 4.3259 5.0947 5.0947 5.1942 5.1942 5.4356 5.4356 5.5162 5.5162 5.6250 5.6250 5.6868 5.6868 5.9797 5.9797 6.0121 6.0121 6.2305 6.2305 7.0447 7.0447 7.7191 7.7191 8.1227 8.1227 8.2314 8.2314 k = 0.0000 0.0000 0.3215 ( 3789 PWs) bands (ev): -0.6776 -0.6776 -0.4865 -0.4865 0.9888 0.9888 1.2442 1.2442 1.3044 1.3044 1.4450 1.4450 3.3664 3.3664 3.8126 3.8126 3.8566 3.8566 4.1553 4.1553 4.2426 4.2426 4.3233 4.3233 5.1189 5.1189 5.2100 5.2100 5.4628 5.4628 5.5216 5.5216 5.6346 5.6346 5.7007 5.7007 5.9977 5.9977 6.0285 6.0285 6.2509 6.2509 7.0407 7.0407 7.7056 7.7056 8.0280 8.0280 8.1370 8.1370 k = 0.0000 0.0000 0.3014 ( 3797 PWs) bands (ev): -0.6926 -0.6926 -0.4869 -0.4869 0.9592 0.9592 1.2367 1.2367 1.2792 1.2792 1.4605 1.4605 3.3267 3.3267 3.7705 3.7705 3.8177 3.8177 4.1419 4.1419 4.2363 4.2363 4.3205 4.3205 5.1445 5.1445 5.2258 5.2258 5.4866 5.4866 5.5316 5.5316 5.6455 5.6455 5.7162 5.7162 6.0159 6.0159 6.0469 6.0469 6.2727 6.2727 7.0374 7.0374 7.6908 7.6908 7.9361 7.9361 8.0471 8.0471 k = 0.0000 0.0000 0.2813 ( 3799 PWs) bands (ev): -0.7078 -0.7078 -0.4872 -0.4872 0.9291 0.9291 1.2291 1.2291 1.2592 1.2592 1.4755 1.4755 3.2885 3.2885 3.7289 3.7289 3.7799 3.7799 4.1287 4.1287 4.2297 4.2297 4.3177 4.3177 5.1711 5.1711 5.2410 5.2410 5.5037 5.5037 5.5488 5.5488 5.6571 5.6571 5.7332 5.7332 6.0346 6.0346 6.0670 6.0670 6.2957 6.2957 7.0345 7.0345 7.6726 7.6726 7.8474 7.8474 7.9634 7.9634 k = 0.0000 0.0000 0.2612 ( 3793 PWs) bands (ev): -0.7229 -0.7229 -0.4876 -0.4876 0.8991 0.8991 1.2211 1.2211 1.2439 1.2439 1.4900 1.4900 3.2523 3.2523 3.6885 3.6885 3.7437 3.7437 4.1158 4.1158 4.2231 4.2231 4.3148 4.3148 5.1982 5.1982 5.2556 5.2556 5.5150 5.5150 5.5714 5.5714 5.6691 5.6691 5.7520 5.7520 6.0538 6.0538 6.0889 6.0889 6.3199 6.3199 7.0320 7.0320 7.6467 7.6467 7.7631 7.7631 7.8892 7.8892 k = 0.0000 0.0000 0.2411 ( 3793 PWs) bands (ev): -0.7380 -0.7380 -0.4880 -0.4880 0.8700 0.8700 1.2130 1.2130 1.2324 1.2324 1.5039 1.5039 3.2180 3.2180 3.6497 3.6497 3.7094 3.7094 4.1034 4.1034 4.2166 4.2166 4.3119 4.3119 5.2250 5.2250 5.2695 5.2695 5.5237 5.5237 5.5950 5.5950 5.6817 5.6817 5.7723 5.7723 6.0739 6.0739 6.1126 6.1126 6.3450 6.3450 7.0299 7.0299 7.6068 7.6068 7.6850 7.6850 7.8292 7.8292 k = 0.0000 0.0000 0.2210 ( 3801 PWs) bands (ev): -0.7526 -0.7526 -0.4885 -0.4885 0.8421 0.8421 1.2052 1.2052 1.2237 1.2237 1.5170 1.5170 3.1859 3.1859 3.6129 3.6129 3.6771 3.6771 4.0916 4.0916 4.2103 4.2103 4.3091 4.3091 5.2504 5.2504 5.2834 5.2834 5.5317 5.5317 5.6168 5.6168 5.6950 5.6950 5.7940 5.7940 6.0947 6.0947 6.1381 6.1381 6.3711 6.3711 7.0280 7.0280 7.5487 7.5487 7.6136 7.6136 7.7873 7.7873 k = 0.0000 0.0000 0.2009 ( 3809 PWs) bands (ev): -0.7667 -0.7667 -0.4889 -0.4889 0.8159 0.8159 1.1982 1.1982 1.2168 1.2168 1.5292 1.5292 3.1561 3.1561 3.5783 3.5783 3.6471 3.6471 4.0804 4.0804 4.2043 4.2043 4.3064 4.3064 5.2720 5.2720 5.2989 5.2989 5.5396 5.5396 5.6354 5.6354 5.7091 5.7091 5.8164 5.8164 6.1163 6.1163 6.1655 6.1655 6.3977 6.3977 7.0262 7.0262 7.4792 7.4792 7.5450 7.5450 7.7613 7.7613 k = 0.0000 0.0000 0.1809 ( 3803 PWs) bands (ev): -0.7801 -0.7801 -0.4893 -0.4893 0.7917 0.7917 1.1923 1.1923 1.2110 1.2110 1.5405 1.5405 3.1288 3.1288 3.5463 3.5463 3.6196 3.6196 4.0701 4.0701 4.1987 4.1987 4.3039 4.3039 5.2875 5.2875 5.3182 5.3182 5.5473 5.5473 5.6504 5.6504 5.7240 5.7240 5.8391 5.8391 6.1385 6.1385 6.1948 6.1948 6.4248 6.4248 7.0244 7.0244 7.4066 7.4066 7.4769 7.4769 7.7454 7.7454 k = 0.0000 0.0000 0.1608 ( 3803 PWs) bands (ev): -0.7926 -0.7926 -0.4898 -0.4898 0.7697 0.7697 1.1874 1.1874 1.2061 1.2061 1.5509 1.5509 3.1041 3.1041 3.5172 3.5172 3.5947 3.5947 4.0607 4.0607 4.1935 4.1935 4.3016 4.3016 5.2979 5.2979 5.3395 5.3395 5.5549 5.5549 5.6621 5.6621 5.7393 5.7393 5.8612 5.8612 6.1611 6.1611 6.2257 6.2257 6.4521 6.4521 7.0224 7.0224 7.3350 7.3350 7.4103 7.4103 7.7356 7.7356 k = 0.0000 0.0000 0.1407 ( 3803 PWs) bands (ev): -0.8040 -0.8040 -0.4901 -0.4901 0.7501 0.7501 1.1835 1.1835 1.2018 1.2018 1.5601 1.5601 3.0820 3.0820 3.4911 3.4911 3.5725 3.5725 4.0522 4.0522 4.1889 4.1889 4.2995 4.2995 5.3057 5.3057 5.3604 5.3604 5.5622 5.5622 5.6711 5.6711 5.7541 5.7541 5.8823 5.8823 6.1838 6.1838 6.2580 6.2580 6.4792 6.4792 7.0200 7.0200 7.2664 7.2664 7.3467 7.3467 7.7293 7.7293 k = 0.0000 0.0000 0.1206 ( 3799 PWs) bands (ev): -0.8142 -0.8142 -0.4905 -0.4905 0.7329 0.7329 1.1804 1.1804 1.1981 1.1981 1.5683 1.5683 3.0627 3.0627 3.4681 3.4681 3.5530 3.5530 4.0447 4.0447 4.1847 4.1847 4.2976 4.2976 5.3116 5.3116 5.3796 5.3796 5.5689 5.5689 5.6780 5.6780 5.7678 5.7678 5.9017 5.9017 6.2062 6.2062 6.2909 6.2909 6.5060 6.5060 7.0164 7.0164 7.2024 7.2024 7.2874 7.2874 7.7253 7.7253 k = 0.0000 0.0000 0.1005 ( 3807 PWs) bands (ev): -0.8230 -0.8230 -0.4908 -0.4908 0.7183 0.7183 1.1779 1.1779 1.1950 1.1950 1.5753 1.5753 3.0463 3.0463 3.4485 3.4485 3.5365 3.5365 4.0383 4.0383 4.1812 4.1812 4.2960 4.2960 5.3163 5.3163 5.3965 5.3965 5.5750 5.5750 5.6833 5.6833 5.7800 5.7800 5.9189 5.9189 6.2276 6.2276 6.3235 6.3235 6.5321 6.5321 7.0100 7.0100 7.1457 7.1457 7.2336 7.2336 7.7230 7.7230 k = 0.0000 0.0000 0.0804 ( 3805 PWs) bands (ev): -0.8304 -0.8304 -0.4911 -0.4911 0.7063 0.7063 1.1761 1.1761 1.1925 1.1925 1.5811 1.5811 3.0327 3.0327 3.4324 3.4324 3.5229 3.5229 4.0330 4.0330 4.1783 4.1783 4.2946 4.2946 5.3199 5.3199 5.4106 5.4106 5.5803 5.5803 5.6873 5.6873 5.7903 5.7903 5.9335 5.9335 6.2472 6.2472 6.3544 6.3544 6.5569 6.5569 6.9974 6.9974 7.1010 7.1010 7.1864 7.1864 7.7218 7.7218 k = 0.0000 0.0000 0.0603 ( 3805 PWs) bands (ev): -0.8362 -0.8362 -0.4913 -0.4913 0.6969 0.6969 1.1748 1.1748 1.1905 1.1905 1.5857 1.5857 3.0222 3.0222 3.4197 3.4197 3.5122 3.5122 4.0289 4.0289 4.1760 4.1760 4.2936 4.2936 5.3226 5.3226 5.4218 5.4218 5.5845 5.5845 5.6903 5.6903 5.7984 5.7984 5.9452 5.9452 6.2641 6.2641 6.3819 6.3819 6.5798 6.5798 6.9750 6.9750 7.0736 7.0736 7.1470 7.1470 7.7214 7.7214 k = 0.0000 0.0000 0.0402 ( 3797 PWs) bands (ev): -0.8404 -0.8404 -0.4914 -0.4914 0.6902 0.6902 1.1739 1.1739 1.1891 1.1891 1.5889 1.5889 3.0146 3.0146 3.4106 3.4106 3.5046 3.5046 4.0259 4.0259 4.1743 4.1743 4.2928 4.2928 5.3244 5.3244 5.4299 5.4299 5.5877 5.5877 5.6923 5.6923 5.8044 5.8044 5.9537 5.9537 6.2773 6.2773 6.4038 6.4038 6.5993 6.5993 6.9475 6.9475 7.0616 7.0616 7.1166 7.1166 7.7215 7.7216 k = 0.0000 0.0000 0.0201 ( 3803 PWs) bands (ev): -0.8430 -0.8430 -0.4915 -0.4915 0.6862 0.6862 1.1733 1.1733 1.1882 1.1882 1.5909 1.5909 3.0100 3.0100 3.4052 3.4052 3.5000 3.5000 4.0241 4.0241 4.1733 4.1733 4.2923 4.2923 5.3255 5.3255 5.4348 5.4348 5.5896 5.5896 5.6935 5.6935 5.8080 5.8080 5.9589 5.9589 6.2856 6.2856 6.4180 6.4180 6.6132 6.6132 6.9257 6.9257 7.0581 7.0581 7.0967 7.0967 7.7218 7.7218 k = 0.0000 0.0000 0.0000 ( 3787 PWs) bands (ev): -0.8439 -0.8439 -0.4916 -0.4916 0.6848 0.6848 1.1732 1.1732 1.1879 1.1879 1.5915 1.5915 3.0085 3.0085 3.4033 3.4033 3.4985 3.4985 4.0235 4.0235 4.1730 4.1730 4.2922 4.2922 5.3259 5.3259 5.4365 5.4365 5.5902 5.5902 5.6939 5.6939 5.8092 5.8092 5.9607 5.9607 6.2885 6.2885 6.4229 6.4229 6.6184 6.6184 6.9174 6.9174 7.0577 7.0577 7.0894 7.0894 7.7219 7.7219 k = 0.0000 0.0000 0.0000 ( 3787 PWs) bands (ev): -0.8439 -0.8439 -0.4916 -0.4916 0.6848 0.6848 1.1732 1.1732 1.1879 1.1879 1.5915 1.5915 3.0085 3.0085 3.4033 3.4033 3.4985 3.4985 4.0235 4.0235 4.1730 4.1730 4.2922 4.2922 5.3259 5.3259 5.4365 5.4365 5.5902 5.5902 5.6939 5.6939 5.8092 5.8092 5.9607 5.9607 6.2885 6.2885 6.4229 6.4229 6.6184 6.6184 6.9174 6.9174 7.0577 7.0577 7.0894 7.0894 7.7219 7.7219 k =-0.0161 0.0113 0.0000 ( 3791 PWs) bands (ev): -0.8438 -0.8438 -0.4915 -0.4915 0.6860 0.6860 1.1736 1.1736 1.1882 1.1882 1.5916 1.5916 3.0090 3.0090 3.4032 3.4032 3.4982 3.4982 4.0235 4.0235 4.1732 4.1732 4.2920 4.2920 5.3238 5.3238 5.4354 5.4354 5.5900 5.5900 5.6937 5.6937 5.8080 5.8080 5.9599 5.9599 6.2878 6.2878 6.4195 6.4195 6.6180 6.6180 6.8943 6.8943 6.9934 6.9934 7.1785 7.1785 7.7320 7.7320 k =-0.0323 0.0227 0.0000 ( 3791 PWs) bands (ev): -0.8438 -0.8438 -0.4912 -0.4912 0.6895 0.6895 1.1750 1.1750 1.1889 1.1889 1.5918 1.5918 3.0107 3.0107 3.4029 3.4029 3.4973 3.4973 4.0233 4.0233 4.1738 4.1738 4.2914 4.2914 5.3175 5.3175 5.4320 5.4320 5.5893 5.5893 5.6931 5.6931 5.8043 5.8043 5.9577 5.9577 6.2857 6.2857 6.4096 6.4096 6.6168 6.6168 6.8232 6.8232 6.9580 6.9580 7.2904 7.2904 7.7586 7.7586 k =-0.0484 0.0340 0.0000 ( 3799 PWs) bands (ev): -0.8437 -0.8437 -0.4908 -0.4908 0.6953 0.6953 1.1773 1.1773 1.1901 1.1901 1.5921 1.5921 3.0135 3.0135 3.4024 3.4024 3.4957 3.4957 4.0230 4.0230 4.1749 4.1749 4.2903 4.2903 5.3071 5.3071 5.4259 5.4259 5.5881 5.5881 5.6922 5.6922 5.7981 5.7981 5.9539 5.9539 6.2819 6.2819 6.3935 6.3935 6.6148 6.6148 6.7363 6.7363 6.9389 6.9389 7.4070 7.4070 7.7633 7.7633 k =-0.0645 0.0453 0.0000 ( 3795 PWs) bands (ev): -0.8435 -0.8435 -0.4902 -0.4902 0.7033 0.7033 1.1806 1.1806 1.1918 1.1918 1.5925 1.5925 3.0173 3.0173 3.4016 3.4016 3.4935 3.4935 4.0226 4.0226 4.1763 4.1763 4.2889 4.2889 5.2927 5.2927 5.4168 5.4168 5.5866 5.5866 5.6910 5.6910 5.7894 5.7894 5.9487 5.9487 6.2765 6.2765 6.3719 6.3719 6.6120 6.6120 6.6515 6.6515 6.9222 6.9222 7.5183 7.5183 7.6619 7.6619 k =-0.0806 0.0567 0.0000 ( 3799 PWs) bands (ev): -0.8434 -0.8434 -0.4894 -0.4894 0.7134 0.7134 1.1849 1.1849 1.1942 1.1942 1.5931 1.5931 3.0222 3.0222 3.4005 3.4005 3.4905 3.4905 4.0221 4.0221 4.1782 4.1782 4.2869 4.2869 5.2745 5.2745 5.4037 5.4037 5.5850 5.5850 5.6895 5.6895 5.7780 5.7780 5.9422 5.9422 6.2691 6.2691 6.3455 6.3455 6.5736 6.5736 6.6084 6.6084 6.9063 6.9063 7.4877 7.4877 7.6773 7.6773 k =-0.0968 0.0680 0.0000 ( 3811 PWs) bands (ev): -0.8431 -0.8431 -0.4885 -0.4885 0.7254 0.7254 1.1899 1.1899 1.1974 1.1974 1.5937 1.5937 3.0281 3.0281 3.3992 3.3992 3.4867 3.4867 4.0215 4.0215 4.1805 4.1805 4.2845 4.2845 5.2527 5.2527 5.3860 5.3860 5.5834 5.5834 5.6879 5.6879 5.7640 5.7640 5.9343 5.9343 6.2590 6.2590 6.3151 6.3151 6.5054 6.5054 6.6040 6.6040 6.8911 6.8911 7.3520 7.3520 7.8004 7.8004 k =-0.1129 0.0794 0.0000 ( 3811 PWs) bands (ev): -0.8429 -0.8429 -0.4874 -0.4874 0.7393 0.7393 1.1949 1.1949 1.2025 1.2025 1.5945 1.5945 3.0350 3.0350 3.3976 3.3976 3.4820 3.4820 4.0208 4.0208 4.1833 4.1833 4.2816 4.2816 5.2277 5.2277 5.3627 5.3627 5.5821 5.5821 5.6861 5.6861 5.7474 5.7474 5.9252 5.9252 6.2447 6.2447 6.2824 6.2824 6.4484 6.4484 6.5988 6.5988 6.8769 6.8769 7.2147 7.2147 7.9327 7.9327 k =-0.1290 0.0907 0.0000 ( 3803 PWs) bands (ev): -0.8426 -0.8426 -0.4862 -0.4862 0.7547 0.7547 1.1992 1.1992 1.2102 1.2102 1.5954 1.5954 3.0428 3.0428 3.3957 3.3957 3.4762 3.4762 4.0200 4.0200 4.1863 4.1863 4.2782 4.2782 5.1999 5.1999 5.3331 5.3331 5.5812 5.5812 5.6836 5.6836 5.7288 5.7288 5.9150 5.9150 6.2216 6.2216 6.2528 6.2528 6.4031 6.4031 6.5927 6.5927 6.8631 6.8631 7.0834 7.0834 8.0692 8.0692 k =-0.1452 0.1020 0.0000 ( 3799 PWs) bands (ev): -0.8423 -0.8423 -0.4849 -0.4849 0.7714 0.7714 1.2032 1.2032 1.2204 1.2204 1.5963 1.5963 3.0515 3.0515 3.3935 3.3935 3.4692 3.4692 4.0190 4.0190 4.1898 4.1898 4.2742 4.2742 5.1696 5.1696 5.2968 5.2968 5.5808 5.5808 5.6786 5.6786 5.7099 5.7099 5.9037 5.9037 6.1879 6.1879 6.2302 6.2302 6.3680 6.3680 6.5858 6.5858 6.8480 6.8480 6.9624 6.9624 8.2090 8.2090 k =-0.1613 0.1134 0.0000 ( 3799 PWs) bands (ev): -0.8420 -0.8420 -0.4835 -0.4835 0.7891 0.7891 1.2072 1.2072 1.2331 1.2331 1.5974 1.5974 3.0610 3.0610 3.3909 3.3909 3.4608 3.4608 4.0179 4.0179 4.1935 4.1935 4.2697 4.2697 5.1373 5.1373 5.2539 5.2539 5.5810 5.5810 5.6655 5.6655 5.6966 5.6966 5.8916 5.8916 6.1509 6.1509 6.2098 6.2098 6.3405 6.3405 6.5780 6.5780 6.8145 6.8145 6.8706 6.8706 8.3518 8.3518 k =-0.1774 0.1247 0.0000 ( 3797 PWs) bands (ev): -0.8417 -0.8417 -0.4820 -0.4820 0.8075 0.8075 1.2114 1.2114 1.2483 1.2483 1.5986 1.5986 3.0712 3.0712 3.3880 3.3880 3.4509 3.4509 4.0166 4.0166 4.1975 4.1975 4.2648 4.2648 5.1034 5.1034 5.2053 5.2053 5.5815 5.5815 5.6414 5.6414 5.6915 5.6915 5.8785 5.8785 6.1150 6.1150 6.1888 6.1888 6.3183 6.3183 6.5691 6.5691 6.7295 6.7295 6.8428 6.8428 8.4975 8.4975 k =-0.1935 0.1360 0.0000 ( 3800 PWs) bands (ev): -0.8413 -0.8413 -0.4804 -0.4804 0.8261 0.8261 1.2157 1.2157 1.2664 1.2664 1.5998 1.5998 3.0818 3.0818 3.3846 3.3846 3.4391 3.4391 4.0152 4.0152 4.2014 4.2014 4.2595 4.2595 5.0681 5.0681 5.1524 5.1524 5.5806 5.5806 5.6125 5.6125 5.6897 5.6897 5.8647 5.8647 6.0819 6.0819 6.1668 6.1668 6.2994 6.2994 6.5581 6.5581 6.6432 6.6432 6.8309 6.8309 8.6458 8.6458 k =-0.2097 0.1474 0.0000 ( 3804 PWs) bands (ev): -0.8409 -0.8409 -0.4787 -0.4787 0.8445 0.8445 1.2202 1.2202 1.2876 1.2876 1.6011 1.6011 3.0928 3.0928 3.3809 3.3809 3.4254 3.4254 4.0135 4.0135 4.2049 4.2049 4.2544 4.2544 5.0310 5.0310 5.0973 5.0973 5.5647 5.5647 5.5938 5.5938 5.6890 5.6890 5.8505 5.8505 6.0517 6.0517 6.1440 6.1440 6.2824 6.2824 6.5386 6.5386 6.5764 6.5764 6.8218 6.8218 8.7966 8.7966 k =-0.2258 0.1587 0.0000 ( 3814 PWs) bands (ev): -0.8406 -0.8406 -0.4770 -0.4770 0.8624 0.8624 1.2249 1.2249 1.3123 1.3123 1.6024 1.6024 3.1039 3.1039 3.3767 3.3767 3.4094 3.4094 4.0117 4.0117 4.2074 4.2074 4.2500 4.2500 4.9905 4.9905 5.0436 5.0436 5.5262 5.5262 5.5930 5.5930 5.6888 5.6888 5.8360 5.8360 6.0242 6.0242 6.1209 6.1209 6.2666 6.2666 6.4925 6.4925 6.5491 6.5491 6.8138 6.8138 8.9499 8.9499 k =-0.2419 0.1701 0.0000 ( 3814 PWs) bands (ev): -0.8402 -0.8402 -0.4753 -0.4753 0.8794 0.8794 1.2296 1.2296 1.3406 1.3406 1.6039 1.6039 3.1146 3.1146 3.3720 3.3720 3.3913 3.3913 4.0095 4.0095 4.2076 4.2076 4.2477 4.2477 4.9436 4.9436 4.9965 4.9965 5.4799 5.4799 5.5953 5.5953 5.6889 5.6889 5.8216 5.8216 5.9987 5.9987 6.0983 6.0983 6.2514 6.2514 6.4451 6.4451 6.5354 6.5354 6.8067 6.8067 9.1054 9.1054 k =-0.2581 0.1814 0.0000 ( 3792 PWs) bands (ev): -0.8398 -0.8398 -0.4736 -0.4736 0.8953 0.8953 1.2345 1.2345 1.3729 1.3729 1.6053 1.6053 3.1243 3.1243 3.3657 3.3657 3.3722 3.3722 4.0070 4.0070 4.2046 4.2046 4.2484 4.2484 4.8904 4.8904 4.9574 4.9574 5.4286 5.4286 5.5983 5.5983 5.6891 5.6891 5.8077 5.8077 5.9750 5.9750 6.0772 6.0772 6.2370 6.2370 6.4074 6.4074 6.5232 6.5232 6.8002 6.8002 9.2631 9.2631 k =-0.2742 0.1927 0.0000 ( 3792 PWs) bands (ev): -0.8394 -0.8394 -0.4719 -0.4719 0.9098 0.9098 1.2393 1.2393 1.4090 1.4090 1.6068 1.6068 3.1320 3.1320 3.3473 3.3473 3.3632 3.3632 4.0041 4.0041 4.1988 4.1988 4.2521 4.2521 4.8353 4.8353 4.9236 4.9236 5.3735 5.3735 5.6017 5.6017 5.6893 5.6893 5.7945 5.7945 5.9527 5.9527 6.0582 6.0582 6.2232 6.2232 6.3786 6.3786 6.5111 6.5111 6.7943 6.7943 9.4227 9.4227 k =-0.2903 0.2041 0.0000 ( 3796 PWs) bands (ev): -0.8391 -0.8391 -0.4702 -0.4702 0.9229 0.9229 1.2441 1.2441 1.4490 1.4490 1.6084 1.6084 3.1358 3.1358 3.3250 3.3250 3.3575 3.3575 4.0008 4.0008 4.1912 4.1912 4.2577 4.2577 4.7817 4.7817 4.8932 4.8932 5.3160 5.3160 5.6051 5.6051 5.6894 5.6894 5.7821 5.7821 5.9321 5.9321 6.0417 6.0417 6.2104 6.2104 6.3569 6.3569 6.4988 6.4988 6.7889 6.7889 9.5841 9.5841 k =-0.3065 0.2154 0.0000 ( 3794 PWs) bands (ev): -0.8387 -0.8387 -0.4686 -0.4686 0.9345 0.9345 1.2489 1.2489 1.4926 1.4926 1.6101 1.6101 3.1326 3.1326 3.3048 3.3048 3.3518 3.3518 3.9969 3.9969 4.1831 4.1831 4.2647 4.2647 4.7312 4.7312 4.8652 4.8652 5.2576 5.2576 5.6086 5.6086 5.6893 5.6893 5.7705 5.7705 5.9135 5.9135 6.0276 6.0276 6.1985 6.1985 6.3406 6.3406 6.4863 6.4863 6.7840 6.7840 9.7471 9.7471 k =-0.3226 0.2267 0.0000 ( 3786 PWs) bands (ev): -0.8384 -0.8384 -0.4670 -0.4670 0.9447 0.9447 1.2535 1.2535 1.5393 1.5393 1.6122 1.6122 3.1186 3.1186 3.2904 3.2904 3.3461 3.3461 3.9925 3.9925 4.1749 4.1749 4.2725 4.2725 4.6849 4.6849 4.8394 4.8394 5.1995 5.1995 5.6119 5.6119 5.6888 5.6888 5.7597 5.7597 5.8971 5.8971 6.0155 6.0155 6.1877 6.1877 6.3284 6.3284 6.4738 6.4738 6.7796 6.7796 9.9114 9.9114 k =-0.3387 0.2381 0.0000 ( 3784 PWs) bands (ev): -0.8380 -0.8380 -0.4655 -0.4655 0.9536 0.9536 1.2579 1.2579 1.5866 1.5866 1.6168 1.6168 3.0916 3.0916 3.2839 3.2839 3.3404 3.3404 3.9876 3.9876 4.1674 4.1674 4.2811 4.2811 4.6434 4.6434 4.8154 4.8154 5.1429 5.1429 5.6149 5.6149 5.6880 5.6880 5.7496 5.7496 5.8833 5.8833 6.0052 6.0052 6.1778 6.1778 6.3194 6.3194 6.4612 6.4612 6.7756 6.7756 10.0765 10.0765 k =-0.3548 0.2494 0.0000 ( 3798 PWs) bands (ev): -0.8377 -0.8377 -0.4641 -0.4641 0.9612 0.9612 1.2620 1.2620 1.6094 1.6094 1.6487 1.6487 3.0528 3.0528 3.2844 3.2844 3.3348 3.3348 3.9824 3.9824 4.1609 4.1609 4.2901 4.2901 4.6068 4.6068 4.7932 4.7932 5.0891 5.0891 5.6178 5.6178 5.6868 5.6868 5.7401 5.7401 5.8722 5.8722 5.9961 5.9961 6.1689 6.1689 6.3130 6.3130 6.4488 6.4488 6.7720 6.7720 10.2420 10.2420 k =-0.3710 0.2608 0.0000 ( 3794 PWs) bands (ev): -0.8375 -0.8375 -0.4628 -0.4628 0.9678 0.9678 1.2659 1.2659 1.6127 1.6127 1.7021 1.7021 3.0054 3.0054 3.2891 3.2891 3.3294 3.3294 3.9769 3.9769 4.1556 4.1556 4.2996 4.2996 4.5750 4.5750 4.7725 4.7725 5.0388 5.0388 5.6202 5.6202 5.6851 5.6851 5.7313 5.7313 5.8639 5.8639 5.9880 5.9880 6.1610 6.1610 6.3087 6.3087 6.4365 6.4365 6.7689 6.7689 10.4072 10.4072 k =-0.3871 0.2721 0.0000 ( 3790 PWs) bands (ev): -0.8372 -0.8372 -0.4616 -0.4616 0.9733 0.9733 1.2695 1.2695 1.6144 1.6144 1.7587 1.7587 2.9521 2.9521 3.2960 3.2960 3.3243 3.3243 3.9715 3.9715 4.1515 4.1515 4.3094 4.3094 4.5479 4.5479 4.7530 4.7530 4.9931 4.9931 5.6224 5.6224 5.6830 5.6830 5.7233 5.7233 5.8582 5.8582 5.9807 5.9807 6.1540 6.1540 6.3062 6.3062 6.4245 6.4245 6.7661 6.7661 10.5711 10.5711 k =-0.4032 0.2834 0.0000 ( 3784 PWs) bands (ev): -0.8370 -0.8370 -0.4606 -0.4606 0.9779 0.9779 1.2727 1.2727 1.6157 1.6157 1.8162 1.8162 2.8953 2.8953 3.3036 3.3036 3.3196 3.3196 3.9663 3.9663 4.1485 4.1485 4.3195 4.3195 4.5250 4.5250 4.7346 4.7346 4.9527 4.9527 5.6242 5.6242 5.6806 5.6806 5.7161 5.7161 5.8548 5.8548 5.9741 5.9741 6.1479 6.1479 6.3053 6.3053 6.4130 6.4130 6.7637 6.7637 10.7323 10.7323 k =-0.4194 0.2948 0.0000 ( 3784 PWs) bands (ev): -0.8368 -0.8368 -0.4597 -0.4597 0.9817 0.9817 1.2755 1.2755 1.6167 1.6167 1.8733 1.8733 2.8375 2.8375 3.3107 3.3107 3.3158 3.3158 3.9615 3.9615 4.1466 4.1466 4.3295 4.3295 4.5061 4.5061 4.7171 4.7171 4.9184 4.9184 5.6256 5.6256 5.6781 5.6781 5.7099 5.7099 5.8532 5.8532 5.9680 5.9680 6.1428 6.1428 6.3057 6.3057 6.4022 6.4022 6.7618 6.7618 10.8885 10.8885 k =-0.4355 0.3061 0.0000 ( 3780 PWs) bands (ev): -0.8366 -0.8366 -0.4589 -0.4589 0.9847 0.9847 1.2778 1.2778 1.6175 1.6175 1.9282 1.9282 2.7810 2.7810 3.3113 3.3113 3.3185 3.3185 3.9574 3.9574 4.1454 4.1454 4.3393 4.3393 4.4908 4.4908 4.7009 4.7009 4.8905 4.8905 5.6267 5.6267 5.6755 5.6755 5.7048 5.7048 5.8529 5.8529 5.9627 5.9627 6.1386 6.1386 6.3071 6.3071 6.3923 6.3923 6.7601 6.7601 11.0363 11.0363 k =-0.4516 0.3174 0.0000 ( 3778 PWs) bands (ev): -0.8365 -0.8365 -0.4583 -0.4583 0.9869 0.9869 1.2796 1.2796 1.6181 1.6181 1.9783 1.9783 2.7291 2.7291 3.3086 3.3086 3.3239 3.3239 3.9541 3.9541 4.1448 4.1448 4.3482 4.3482 4.4787 4.4787 4.6866 4.6866 4.8692 4.8692 5.6275 5.6275 5.6732 5.6732 5.7009 5.7009 5.8535 5.8535 5.9582 5.9582 6.1354 6.1354 6.3092 6.3092 6.3836 6.3836 6.7589 6.7589 11.1701 11.1701 k =-0.4677 0.3288 0.0000 ( 3770 PWs) bands (ev): -0.8364 -0.8364 -0.4579 -0.4579 0.9885 0.9885 1.2809 1.2809 1.6186 1.6186 2.0198 2.0198 2.6859 2.6859 3.3065 3.3065 3.3281 3.3281 3.9517 3.9517 4.1446 4.1446 4.3557 4.3557 4.4699 4.4699 4.6751 4.6751 4.8543 4.8543 5.6280 5.6280 5.6714 5.6714 5.6981 5.6981 5.8543 5.8543 5.9547 5.9547 6.1331 6.1331 6.3115 6.3115 6.3766 6.3766 6.7580 6.7580 11.2813 11.2813 k =-0.4839 0.3401 0.0000 ( 3770 PWs) bands (ev): -0.8364 -0.8364 -0.4576 -0.4576 0.9895 0.9895 1.2817 1.2817 1.6189 1.6189 2.0481 2.0481 2.6565 2.6565 3.3052 3.3052 3.3307 3.3307 3.9502 3.9502 4.1445 4.1445 4.3607 4.3607 4.4645 4.4645 4.6676 4.6676 4.8456 4.8456 5.6283 5.6283 5.6702 5.6702 5.6965 5.6965 5.8550 5.8550 5.9524 5.9524 6.1317 6.1317 6.3133 6.3133 6.3720 6.3720 6.7574 6.7574 11.3573 11.3573 k =-0.5000 0.3515 0.0000 ( 3770 PWs) bands (ev): -0.8363 -0.8363 -0.4575 -0.4575 0.9898 0.9898 1.2820 1.2820 1.6190 1.6190 2.0582 2.0582 2.6460 2.6460 3.3048 3.3048 3.3316 3.3316 3.9497 3.9497 4.1445 4.1445 4.3625 4.3625 4.4626 4.4626 4.6650 4.6650 4.8427 4.8427 5.6284 5.6284 5.6698 5.6698 5.6960 5.6960 5.8553 5.8553 5.9517 5.9517 6.1312 6.1312 6.3140 6.3140 6.3703 6.3703 6.7573 6.7573 11.3848 11.3848 k =-0.5000 0.3515 0.0000 ( 3770 PWs) bands (ev): -0.8363 -0.8363 -0.4575 -0.4575 0.9898 0.9898 1.2820 1.2820 1.6190 1.6190 2.0582 2.0582 2.6460 2.6460 3.3048 3.3048 3.3316 3.3316 3.9497 3.9497 4.1445 4.1445 4.3625 4.3625 4.4626 4.4626 4.6650 4.6650 4.8427 4.8427 5.6284 5.6284 5.6698 5.6698 5.6960 5.6960 5.8553 5.8553 5.9517 5.9517 6.1312 6.1312 6.3140 6.3140 6.3703 6.3703 6.7573 6.7573 11.3848 11.3848 k =-0.4885 0.3678-0.0000 ( 3770 PWs) bands (ev): -0.8364 -0.8364 -0.4575 -0.4575 0.9898 0.9898 1.2820 1.2820 1.6189 1.6189 2.0583 2.0583 2.6474 2.6474 3.2806 3.2806 3.3524 3.3524 3.9504 3.9504 4.1444 4.1444 4.3622 4.3622 4.4627 4.4627 4.6511 4.6511 4.8586 4.8586 5.6284 5.6284 5.6702 5.6702 5.6964 5.6964 5.8551 5.8551 5.9492 5.9492 6.1345 6.1345 6.3140 6.3140 6.3704 6.3704 6.7599 6.7599 11.3214 11.3214 k =-0.4770 0.3842-0.0000 ( 3774 PWs) bands (ev): -0.8364 -0.8364 -0.4576 -0.4576 0.9897 0.9897 1.2820 1.2820 1.6189 1.6189 2.0585 2.0585 2.6516 2.6516 3.2434 3.2434 3.3795 3.3795 3.9524 3.9524 4.1441 4.1441 4.3613 4.3613 4.4628 4.4628 4.6194 4.6194 4.8964 4.8964 5.6285 5.6285 5.6714 5.6714 5.6977 5.6977 5.8546 5.8546 5.9422 5.9422 6.1437 6.1437 6.3142 6.3142 6.3708 6.3708 6.7679 6.7679 11.2267 11.2267 k =-0.4655 0.4005-0.0000 ( 3774 PWs) bands (ev): -0.8364 -0.8364 -0.4577 -0.4577 0.9895 0.9895 1.2819 1.2819 1.6188 1.6188 2.0587 2.0587 2.6586 2.6586 3.2023 3.2023 3.4042 3.4042 3.9559 3.9559 4.1437 4.1437 4.3600 4.3600 4.4630 4.4630 4.5820 4.5820 4.9436 4.9436 5.6287 5.6287 5.6734 5.6734 5.6999 5.6999 5.8536 5.8536 5.9321 5.9321 6.1573 6.1573 6.3145 6.3145 6.3714 6.3714 6.7816 6.7816 11.1343 11.1343 k =-0.4540 0.4169-0.0000 ( 3774 PWs) bands (ev): -0.8365 -0.8365 -0.4577 -0.4577 0.9892 0.9892 1.2817 1.2817 1.6187 1.6187 2.0587 2.0587 2.6682 2.6682 3.1582 3.1582 3.4261 3.4261 3.9607 3.9607 4.1430 4.1430 4.3582 4.3582 4.4630 4.4630 4.5447 4.5447 4.9942 4.9942 5.6291 5.6291 5.6760 5.6760 5.7028 5.7028 5.8520 5.8520 5.9203 5.9203 6.1737 6.1737 6.3150 6.3150 6.3723 6.3723 6.8012 6.8012 11.0476 11.0476 k =-0.4425 0.4332-0.0000 ( 3782 PWs) bands (ev): -0.8365 -0.8365 -0.4579 -0.4579 0.9888 0.9888 1.2815 1.2815 1.6185 1.6185 2.0585 2.0585 2.6805 2.6805 3.1118 3.1118 3.4455 3.4455 3.9670 3.9670 4.1421 4.1421 4.3561 4.3561 4.4621 4.4621 4.5104 4.5104 5.0452 5.0452 5.6299 5.6299 5.6794 5.6794 5.7063 5.7063 5.8496 5.8496 5.9079 5.9079 6.1914 6.1914 6.3157 6.3157 6.3734 6.3734 6.8274 6.8274 10.9676 10.9676 k =-0.4310 0.4496-0.0000 ( 3788 PWs) bands (ev): -0.8366 -0.8366 -0.4580 -0.4580 0.9883 0.9883 1.2812 1.2812 1.6183 1.6183 2.0575 2.0575 2.6954 2.6954 3.0637 3.0637 3.4624 3.4624 3.9747 3.9747 4.1410 4.1410 4.3538 4.3538 4.4566 4.4566 4.4838 4.4838 5.0952 5.0952 5.6311 5.6311 5.6832 5.6832 5.7105 5.7105 5.8461 5.8461 5.8961 5.8961 6.2091 6.2091 6.3171 6.3171 6.3747 6.3747 6.8605 6.8605 10.8945 10.8945 k =-0.4195 0.4660-0.0000 ( 3792 PWs) bands (ev): -0.8367 -0.8367 -0.4582 -0.4582 0.9877 0.9877 1.2808 1.2808 1.6180 1.6180 2.0555 2.0555 2.7126 2.7126 3.0149 3.0149 3.4771 3.4771 3.9838 3.9838 4.1396 4.1396 4.3514 4.3514 4.4377 4.4377 4.4741 4.4741 5.1430 5.1430 5.6329 5.6329 5.6872 5.6872 5.7155 5.7155 5.8407 5.8407 5.8859 5.8859 6.2255 6.2255 6.3193 6.3193 6.3763 6.3763 6.9008 6.9008 10.8283 10.8283 k =-0.4080 0.4823-0.0000 ( 3792 PWs) bands (ev): -0.8369 -0.8369 -0.4585 -0.4585 0.9870 0.9870 1.2802 1.2802 1.6177 1.6177 2.0518 2.0518 2.7321 2.7321 2.9665 2.9665 3.4898 3.4898 3.9944 3.9944 4.1380 4.1380 4.3490 4.3490 4.4138 4.4138 4.4732 4.4732 5.1879 5.1879 5.6355 5.6355 5.6912 5.6912 5.7212 5.7212 5.8333 5.8333 5.8781 5.8781 6.2396 6.2396 6.3229 6.3229 6.3782 6.3782 6.9484 6.9484 10.7687 10.7687 k =-0.3965 0.4987-0.0000 ( 3784 PWs) bands (ev): -0.8370 -0.8370 -0.4588 -0.4588 0.9860 0.9860 1.2794 1.2794 1.6173 1.6173 2.0459 2.0459 2.7536 2.7536 2.9197 2.9197 3.5009 3.5009 4.0064 4.0064 4.1362 4.1362 4.3465 4.3465 4.3914 4.3914 4.4744 4.4744 5.2294 5.2294 5.6388 5.6388 5.6948 5.6948 5.7277 5.7277 5.8241 5.8241 5.8726 5.8726 6.2507 6.2507 6.3283 6.3283 6.3804 6.3804 7.0030 7.0030 10.7151 10.7151 k =-0.3850 0.5150-0.0000 ( 3796 PWs) bands (ev): -0.8371 -0.8371 -0.4592 -0.4592 0.9849 0.9849 1.2784 1.2784 1.6169 1.6169 2.0370 2.0370 2.7771 2.7771 2.8757 2.8757 3.5104 3.5104 4.0199 4.0199 4.1344 4.1344 4.3439 4.3439 4.3717 4.3717 4.4767 4.4767 5.2672 5.2672 5.6430 5.6430 5.6980 5.6980 5.7349 5.7349 5.8140 5.8140 5.8689 5.8689 6.2584 6.2584 6.3357 6.3357 6.3829 6.3829 7.0642 7.0642 10.6664 10.6664 k =-0.3735 0.5314-0.0000 ( 3798 PWs) bands (ev): -0.8373 -0.8373 -0.4596 -0.4596 0.9835 0.9835 1.2772 1.2772 1.6163 1.6163 2.0243 2.0243 2.8023 2.8023 2.8358 2.8358 3.5186 3.5186 4.0346 4.0346 4.1327 4.1327 4.3410 4.3410 4.3550 4.3550 4.4801 4.4801 5.3013 5.3013 5.6482 5.6482 5.7004 5.7004 5.7421 5.7421 5.8045 5.8045 5.8665 5.8665 6.2631 6.2631 6.3447 6.3447 6.3860 6.3860 7.1312 7.1312 10.6203 10.6203 k =-0.3735 0.5314-0.0000 ( 3798 PWs) bands (ev): -0.8373 -0.8373 -0.4596 -0.4596 0.9835 0.9835 1.2772 1.2772 1.6163 1.6163 2.0243 2.0243 2.8023 2.8023 2.8358 2.8358 3.5186 3.5186 4.0346 4.0346 4.1327 4.1327 4.3410 4.3410 4.3550 4.3550 4.4801 4.4801 5.3013 5.3013 5.6482 5.6482 5.7004 5.7004 5.7421 5.7421 5.8045 5.8045 5.8665 5.8665 6.2631 6.2631 6.3447 6.3447 6.3860 6.3860 7.1312 7.1312 10.6203 10.6203 k =-0.3735 0.5314 0.0201 ( 3798 PWs) bands (ev): -0.8365 -0.8365 -0.4596 -0.4596 0.9836 0.9836 1.2774 1.2774 1.6154 1.6154 2.0251 2.0251 2.8046 2.8046 2.8380 2.8380 3.5203 3.5203 4.0352 4.0352 4.1330 4.1330 4.3409 4.3409 4.3549 4.3549 4.4805 4.4805 5.2988 5.2988 5.6493 5.6493 5.7000 5.7000 5.7424 5.7424 5.8046 5.8046 5.8665 5.8665 6.2625 6.2625 6.3440 6.3440 6.3857 6.3857 7.1327 7.1327 10.6214 10.6214 k =-0.3735 0.5314 0.0402 ( 3794 PWs) bands (ev): -0.8340 -0.8340 -0.4597 -0.4597 0.9839 0.9839 1.2778 1.2778 1.6127 1.6127 2.0273 2.0273 2.8115 2.8115 2.8446 2.8446 3.5255 3.5255 4.0369 4.0369 4.1339 4.1339 4.3406 4.3406 4.3543 4.3543 4.4817 4.4817 5.2915 5.2915 5.6524 5.6524 5.6986 5.6986 5.7433 5.7433 5.8050 5.8050 5.8666 5.8666 6.2608 6.2608 6.3419 6.3419 6.3848 6.3848 7.1372 7.1372 10.6249 10.6249 k =-0.3735 0.5314 0.0603 ( 3796 PWs) bands (ev): -0.8300 -0.8300 -0.4598 -0.4598 0.9844 0.9844 1.2786 1.2786 1.6081 1.6081 2.0311 2.0311 2.8229 2.8229 2.8556 2.8556 3.5342 3.5342 4.0398 4.0398 4.1353 4.1353 4.3399 4.3399 4.3534 4.3534 4.4837 4.4837 5.2798 5.2798 5.6567 5.6567 5.6966 5.6966 5.7449 5.7449 5.8056 5.8056 5.8667 5.8667 6.2580 6.2580 6.3385 6.3385 6.3835 6.3835 7.1447 7.1447 10.6306 10.6306 k =-0.3735 0.5314 0.0804 ( 3803 PWs) bands (ev): -0.8244 -0.8244 -0.4600 -0.4600 0.9852 0.9852 1.2796 1.2796 1.6018 1.6018 2.0364 2.0364 2.8389 2.8389 2.8709 2.8709 3.5464 3.5464 4.0438 4.0438 4.1374 4.1374 4.3390 4.3390 4.3523 4.3523 4.4864 4.4864 5.2645 5.2645 5.6614 5.6614 5.6942 5.6942 5.7472 5.7472 5.8067 5.8067 5.8667 5.8667 6.2542 6.2542 6.3340 6.3340 6.3816 6.3816 7.1550 7.1550 10.6386 10.6386 k =-0.3735 0.5314 0.1005 ( 3803 PWs) bands (ev): -0.8173 -0.8173 -0.4603 -0.4603 0.9863 0.9863 1.2810 1.2810 1.5939 1.5939 2.0433 2.0433 2.8593 2.8593 2.8904 2.8904 3.5619 3.5619 4.0488 4.0488 4.1400 4.1400 4.3377 4.3377 4.3511 4.3511 4.4898 4.4898 5.2461 5.2461 5.6649 5.6649 5.6922 5.6922 5.7503 5.7503 5.8082 5.8082 5.8665 5.8665 6.2495 6.2495 6.3285 6.3285 6.3795 6.3795 7.1680 7.1680 10.6488 10.6488 k =-0.3735 0.5314 0.1206 ( 3787 PWs) bands (ev): -0.8088 -0.8088 -0.4606 -0.4606 0.9878 0.9878 1.2826 1.2826 1.5843 1.5843 2.0518 2.0518 2.8840 2.8840 2.9142 2.9142 3.5807 3.5807 4.0547 4.0547 4.1433 4.1433 4.3359 4.3359 4.3498 4.3498 4.4940 4.4940 5.2254 5.2254 5.6656 5.6656 5.6917 5.6917 5.7540 5.7540 5.8104 5.8104 5.8659 5.8659 6.2440 6.2440 6.3223 6.3223 6.3771 6.3771 7.1836 7.1836 10.6611 10.6611 k =-0.3735 0.5314 0.1407 ( 3783 PWs) bands (ev): -0.7990 -0.7990 -0.4610 -0.4610 0.9897 0.9897 1.2844 1.2844 1.5733 1.5733 2.0619 2.0619 2.9130 2.9130 2.9421 2.9421 3.6027 3.6027 4.0614 4.0614 4.1471 4.1471 4.3335 4.3335 4.3485 4.3485 4.4989 4.4989 5.2031 5.2031 5.6629 5.6629 5.6933 5.6933 5.7578 5.7578 5.8133 5.8133 5.8650 5.8650 6.2379 6.2379 6.3157 6.3157 6.3747 6.3747 7.2015 7.2015 10.6755 10.6755 k =-0.3735 0.5314 0.1608 ( 3777 PWs) bands (ev): -0.7881 -0.7881 -0.4614 -0.4614 0.9922 0.9922 1.2865 1.2865 1.5610 1.5610 2.0737 2.0737 2.9460 2.9460 2.9741 2.9741 3.6278 3.6278 4.0688 4.0688 4.1516 4.1516 4.3307 4.3307 4.3475 4.3475 4.5044 4.5044 5.1795 5.1795 5.6576 5.6576 5.6961 5.6961 5.7614 5.7614 5.8168 5.8168 5.8637 5.8637 6.2314 6.2314 6.3088 6.3088 6.3723 6.3723 7.2216 7.2216 10.6918 10.6918 k =-0.3735 0.5314 0.1809 ( 3782 PWs) bands (ev): -0.7762 -0.7762 -0.4619 -0.4619 0.9952 0.9952 1.2889 1.2889 1.5473 1.5473 2.0873 2.0873 2.9831 2.9831 3.0099 3.0099 3.6559 3.6559 4.0766 4.0766 4.1567 4.1567 4.3274 4.3274 4.3466 4.3466 4.5105 4.5105 5.1554 5.1554 5.6509 5.6509 5.6992 5.6992 5.7643 5.7643 5.8206 5.8206 5.8623 5.8623 6.2245 6.2245 6.3020 6.3020 6.3703 6.3703 7.2437 7.2437 10.7100 10.7100 k =-0.3735 0.5314 0.2009 ( 3778 PWs) bands (ev): -0.7633 -0.7633 -0.4625 -0.4625 0.9989 0.9989 1.2914 1.2914 1.5326 1.5326 2.1028 2.1028 3.0240 3.0240 3.0495 3.0495 3.6867 3.6867 4.0848 4.0848 4.1627 4.1627 4.3237 4.3237 4.3460 4.3460 4.5172 4.5172 5.1310 5.1310 5.6434 5.6434 5.7024 5.7024 5.7663 5.7663 5.8237 5.8237 5.8615 5.8615 6.2177 6.2177 6.2954 6.2954 6.3687 6.3687 7.2678 7.2678 10.7300 10.7300 k =-0.3735 0.5314 0.2210 ( 3784 PWs) bands (ev): -0.7498 -0.7498 -0.4632 -0.4632 1.0033 1.0033 1.2941 1.2941 1.5169 1.5169 2.1201 2.1201 3.0685 3.0685 3.0926 3.0926 3.7200 3.7200 4.0931 4.0931 4.1694 4.1694 4.3198 4.3198 4.3456 4.3456 4.5243 4.5243 5.1070 5.1070 5.6354 5.6354 5.7056 5.7056 5.7676 5.7676 5.8246 5.8246 5.8621 5.8621 6.2110 6.2110 6.2892 6.2892 6.3678 6.3678 7.2937 7.2937 10.7516 10.7516 k =-0.3735 0.5314 0.2411 ( 3788 PWs) bands (ev): -0.7358 -0.7358 -0.4639 -0.4639 1.0087 1.0087 1.2969 1.2969 1.5003 1.5003 2.1395 2.1395 3.1164 3.1164 3.1391 3.1391 3.7555 3.7555 4.1012 4.1012 4.1772 4.1772 4.3158 4.3158 4.3457 4.3457 4.5319 4.5319 5.0836 5.0836 5.6271 5.6271 5.7087 5.7087 5.7682 5.7682 5.8226 5.8226 5.8647 5.8647 6.2047 6.2047 6.2836 6.2836 6.3677 6.3677 7.3214 7.3214 10.7747 10.7747 k =-0.3735 0.5314 0.2612 ( 3788 PWs) bands (ev): -0.7215 -0.7215 -0.4647 -0.4647 1.0149 1.0149 1.2999 1.2999 1.4829 1.4829 2.1609 2.1609 3.1674 3.1674 3.1886 3.1886 3.7929 3.7929 4.1091 4.1091 4.1859 4.1859 4.3118 4.3118 4.3463 4.3463 4.5398 4.5398 5.0615 5.0615 5.6187 5.6187 5.7118 5.7118 5.7683 5.7683 5.8177 5.8177 5.8690 5.8690 6.1990 6.1990 6.2786 6.2786 6.3687 6.3687 7.3506 7.3506 10.7990 10.7990 k =-0.3735 0.5314 0.2813 ( 3788 PWs) bands (ev): -0.7070 -0.7070 -0.4656 -0.4656 1.0222 1.0222 1.3031 1.3031 1.4649 1.4649 2.1846 2.1846 3.2212 3.2212 3.2408 3.2408 3.8318 3.8318 4.1167 4.1167 4.1957 4.1957 4.3081 4.3081 4.3476 4.3476 4.5479 4.5479 5.0411 5.0411 5.6105 5.6105 5.7147 5.7147 5.7680 5.7680 5.8109 5.8109 5.8739 5.8739 6.1942 6.1942 6.2744 6.2744 6.3708 6.3708 7.3815 7.3815 10.8243 10.8243 k =-0.3735 0.5314 0.3014 ( 3790 PWs) bands (ev): -0.6926 -0.6926 -0.4667 -0.4667 1.0305 1.0305 1.3063 1.3063 1.4463 1.4463 2.2105 2.2105 3.2772 3.2772 3.2953 3.2953 3.8716 3.8716 4.1238 4.1238 4.2064 4.2064 4.3050 4.3050 4.3501 4.3501 4.5562 4.5562 5.0230 5.0230 5.6024 5.6024 5.7173 5.7173 5.7676 5.7676 5.8029 5.8029 5.8789 5.8789 6.1904 6.1904 6.2709 6.2709 6.3742 6.3742 7.4140 7.4140 10.8504 10.8504 k =-0.3735 0.5314 0.3215 ( 3789 PWs) bands (ev): -0.6784 -0.6784 -0.4678 -0.4678 1.0399 1.0399 1.3095 1.3095 1.4274 1.4274 2.2389 2.2389 3.3349 3.3349 3.3516 3.3516 3.9117 3.9117 4.1307 4.1307 4.2178 4.2178 4.3029 4.3029 4.3542 4.3542 4.5645 4.5645 5.0078 5.0078 5.5947 5.5947 5.7192 5.7192 5.7667 5.7667 5.7950 5.7950 5.8836 5.8836 6.1878 6.1878 6.2682 6.2682 6.3788 6.3788 7.4481 7.4481 10.8771 10.8771 k =-0.3735 0.5314 0.3416 ( 3786 PWs) bands (ev): -0.6647 -0.6647 -0.4690 -0.4690 1.0504 1.0504 1.3128 1.3128 1.4082 1.4082 2.2698 2.2698 3.3936 3.3936 3.4090 3.4090 3.9515 3.9515 4.1375 4.1375 4.2293 4.2293 4.3026 4.3026 4.3604 4.3604 4.5728 4.5728 4.9963 4.9963 5.5874 5.5874 5.7201 5.7201 5.7645 5.7645 5.7887 5.7887 5.8881 5.8881 6.1865 6.1865 6.2664 6.2664 6.3846 6.3846 7.4839 7.4839 10.9038 10.9038 k =-0.3735 0.5314 0.3617 ( 3792 PWs) bands (ev): -0.6516 -0.6516 -0.4702 -0.4702 1.0621 1.0621 1.3160 1.3160 1.3890 1.3890 2.3034 2.3034 3.4522 3.4522 3.4667 3.4667 3.9901 3.9901 4.1442 4.1442 4.2399 4.2399 4.3055 4.3055 4.3696 4.3696 4.5810 4.5810 4.9892 4.9892 5.5806 5.5806 5.7195 5.7195 5.7598 5.7598 5.7863 5.7863 5.8925 5.8925 6.1866 6.1866 6.2654 6.2654 6.3917 6.3917 7.5213 7.5213 10.9302 10.9302 k =-0.3735 0.5314 0.3818 ( 3792 PWs) bands (ev): -0.6392 -0.6392 -0.4716 -0.4716 1.0748 1.0748 1.3189 1.3189 1.3699 1.3699 2.3397 2.3397 3.5098 3.5098 3.5237 3.5237 4.0269 4.0269 4.1511 4.1511 4.2480 4.2480 4.3135 4.3135 4.3826 4.3826 4.5894 4.5894 4.9871 4.9871 5.5744 5.5744 5.7168 5.7168 5.7530 5.7530 5.7883 5.7883 5.8969 5.8969 6.1881 6.1881 6.2654 6.2654 6.3999 6.3999 7.5605 7.5605 10.9558 10.9558 k =-0.3735 0.5314 0.4019 ( 3793 PWs) bands (ev): -0.6277 -0.6277 -0.4731 -0.4731 1.0885 1.0885 1.3208 1.3208 1.3519 1.3519 2.3789 2.3789 3.5649 3.5649 3.5788 3.5788 4.0612 4.0612 4.1581 4.1581 4.2529 4.2529 4.3280 4.3280 4.4005 4.4005 4.5982 4.5982 4.9908 4.9908 5.5688 5.5688 5.7120 5.7120 5.7458 5.7458 5.7934 5.7934 5.9017 5.9017 6.1908 6.1908 6.2663 6.2663 6.4093 6.4093 7.6016 7.6016 10.9799 10.9799 k =-0.3735 0.5314 0.4220 ( 3783 PWs) bands (ev): -0.6172 -0.6172 -0.4747 -0.4747 1.1031 1.1031 1.3179 1.3179 1.3388 1.3388 2.4209 2.4209 3.6163 3.6163 3.6303 3.6303 4.0926 4.0926 4.1648 4.1648 4.2554 4.2554 4.3493 4.3493 4.4243 4.4243 4.6081 4.6081 5.0008 5.0008 5.5639 5.5639 5.7054 5.7054 5.7392 5.7392 5.8007 5.8007 5.9073 5.9073 6.1948 6.1948 6.2683 6.2683 6.4196 6.4196 7.6448 7.6448 11.0017 11.0017 k =-0.3735 0.5314 0.4421 ( 3781 PWs) bands (ev): -0.6078 -0.6078 -0.4764 -0.4764 1.1185 1.1185 1.3047 1.3047 1.3362 1.3362 2.4660 2.4660 3.6628 3.6628 3.6764 3.6764 4.1207 4.1207 4.1706 4.1706 4.2570 4.2570 4.3769 4.3769 4.4545 4.4545 4.6199 4.6199 5.0171 5.0171 5.5597 5.5597 5.6976 5.6976 5.7333 5.7333 5.8100 5.8100 5.9139 5.9139 6.1998 6.1998 6.2715 6.2715 6.4309 6.4309 7.6901 7.6901 11.0201 11.0201 k =-0.3735 0.5314 0.4622 ( 3785 PWs) bands (ev): -0.5995 -0.5995 -0.4781 -0.4781 1.1345 1.1345 1.2873 1.2873 1.3382 1.3382 2.5141 2.5141 3.7033 3.7033 3.7159 3.7159 4.1451 4.1451 4.1747 4.1747 4.2590 4.2590 4.4111 4.4111 4.4914 4.4914 4.6351 4.6351 5.0400 5.0400 5.5564 5.5564 5.6895 5.6895 5.7282 5.7282 5.8210 5.8210 5.9220 5.9220 6.2057 6.2057 6.2760 6.2760 6.4431 6.4431 7.7379 7.7379 11.0340 11.0340 k =-0.3735 0.5314 0.4823 ( 3786 PWs) bands (ev): -0.5923 -0.5923 -0.4800 -0.4800 1.1508 1.1508 1.2693 1.2693 1.3413 1.3413 2.5651 2.5651 3.7369 3.7369 3.7482 3.7482 4.1646 4.1646 4.1766 4.1766 4.2625 4.2625 4.4520 4.4520 4.5335 4.5335 4.6563 4.6563 5.0689 5.0689 5.5539 5.5539 5.6819 5.6819 5.7237 5.7237 5.8336 5.8336 5.9317 5.9317 6.2122 6.2122 6.2820 6.2820 6.4562 6.4562 7.7882 7.7882 11.0415 11.0415 k =-0.3735 0.5314 0.5024 ( 3788 PWs) bands (ev): -0.5864 -0.5864 -0.4819 -0.4819 1.1669 1.1669 1.2520 1.2520 1.3446 1.3446 2.6191 2.6191 3.7624 3.7624 3.7740 3.7740 4.1743 4.1743 4.1799 4.1799 4.2680 4.2680 4.4987 4.4987 4.5775 4.5775 4.6879 4.6879 5.1032 5.1032 5.5524 5.5524 5.6754 5.6754 5.7200 5.7200 5.8478 5.8478 5.9434 5.9434 6.2193 6.2193 6.2896 6.2896 6.4701 6.4701 7.8415 7.8415 11.0406 11.0406 k =-0.3735 0.5314 0.5225 ( 3790 PWs) bands (ev): -0.5816 -0.5816 -0.4839 -0.4839 1.1816 1.1816 1.2366 1.2366 1.3480 1.3480 2.6759 2.6759 3.7796 3.7796 3.7946 3.7946 4.1719 4.1719 4.1866 4.1866 4.2754 4.2754 4.5482 4.5482 4.6212 4.6212 4.7343 4.7343 5.1421 5.1421 5.5518 5.5518 5.6705 5.6705 5.7177 5.7177 5.8637 5.8637 5.9574 5.9574 6.2268 6.2268 6.2989 6.2989 6.4849 6.4849 7.8980 7.8980 11.0288 11.0288 k =-0.3735 0.5314 0.5426 ( 3787 PWs) bands (ev): -0.5779 -0.5779 -0.4859 -0.4859 1.1900 1.1900 1.2280 1.2280 1.3515 1.3515 2.7354 2.7354 3.7898 3.7898 3.8105 3.8105 4.1670 4.1670 4.1882 4.1882 4.2839 4.2839 4.5929 4.5929 4.6692 4.6692 4.7956 4.7956 5.1844 5.1844 5.5523 5.5523 5.6674 5.6674 5.7175 5.7175 5.8814 5.8814 5.9738 5.9738 6.2346 6.2346 6.3103 6.3103 6.5008 6.5008 7.9579 7.9579 11.0030 11.0030 k =-0.3735 0.5314 0.5627 ( 3785 PWs) bands (ev): -0.5752 -0.5752 -0.4880 -0.4880 1.1846 1.1846 1.2336 1.2336 1.3550 1.3550 2.7973 2.7973 3.7945 3.7945 3.8220 3.8220 4.1605 4.1605 4.1855 4.1855 4.2923 4.2923 4.6273 4.6273 4.7280 4.7280 4.8675 4.8675 5.2290 5.2290 5.5541 5.5541 5.6661 5.6661 5.7203 5.7203 5.9009 5.9009 5.9930 5.9930 6.2427 6.2427 6.3238 6.3238 6.5178 6.5178 8.0216 8.0216 10.9598 10.9598 k =-0.3735 0.5314 0.5827 ( 3783 PWs) bands (ev): -0.5736 -0.5736 -0.4902 -0.4902 1.1714 1.1714 1.2472 1.2472 1.3584 1.3584 2.8613 2.8613 3.7950 3.7950 3.8297 3.8297 4.1528 4.1528 4.1797 4.1797 4.3001 4.3001 4.6542 4.6542 4.7945 4.7945 4.9454 4.9454 5.2749 5.2749 5.5572 5.5572 5.6666 5.6666 5.7278 5.7278 5.9222 5.9222 6.0156 6.0156 6.2512 6.2512 6.3399 6.3399 6.5362 6.5362 8.0894 8.0894 10.8961 10.8961 k =-0.3735 0.5314 0.6028 ( 3781 PWs) bands (ev): -0.5729 -0.5729 -0.4924 -0.4924 1.1565 1.1565 1.2629 1.2629 1.3618 1.3618 2.9269 2.9269 3.7926 3.7926 3.8342 3.8342 4.1442 4.1442 4.1717 4.1717 4.3071 4.3071 4.6782 4.6782 4.8631 4.8631 5.0255 5.0255 5.3211 5.3211 5.5618 5.5618 5.6687 5.6687 5.7411 5.7411 5.9452 5.9452 6.0419 6.0419 6.2602 6.2602 6.3588 6.3588 6.5563 6.5563 8.1617 8.1617 10.8096 10.8096 k =-0.3735 0.5314 0.6229 ( 3785 PWs) bands (ev): -0.5730 -0.5730 -0.4946 -0.4946 1.1414 1.1414 1.2788 1.2788 1.3651 1.3651 2.9937 2.9937 3.7878 3.7878 3.8361 3.8361 4.1349 4.1349 4.1623 4.1623 4.3131 4.3131 4.7014 4.7014 4.9298 4.9298 5.1046 5.1046 5.3674 5.3674 5.5682 5.5682 5.6727 5.6727 5.7614 5.7614 5.9700 5.9700 6.0726 6.0726 6.2700 6.2700 6.3813 6.3813 6.5787 6.5787 8.2389 8.2389 10.7000 10.7000 k =-0.3735 0.5314 0.6430 ( 3779 PWs) bands (ev): -0.5738 -0.5738 -0.4968 -0.4968 1.1267 1.1267 1.2945 1.2945 1.3683 1.3683 3.0611 3.0611 3.7814 3.7814 3.8360 3.8360 4.1250 4.1250 4.1521 4.1521 4.3183 4.3183 4.7249 4.7249 4.9915 4.9915 5.1789 5.1789 5.4142 5.4142 5.5760 5.5760 5.6793 5.6793 5.7886 5.7886 5.9965 5.9965 6.1079 6.1079 6.2807 6.2807 6.4084 6.4084 6.6040 6.6040 8.3211 8.3211 10.5689 10.5689 k =-0.3735 0.5314 0.6631 ( 3787 PWs) bands (ev): -0.5752 -0.5752 -0.4991 -0.4991 1.1125 1.1125 1.3096 1.3096 1.3715 1.3715 3.1284 3.1284 3.7739 3.7739 3.8343 3.8343 4.1147 4.1147 4.1414 4.1414 4.3227 4.3227 4.7494 4.7494 5.0459 5.0459 5.2445 5.2445 5.4623 5.4623 5.5850 5.5850 5.6900 5.6900 5.8217 5.8217 6.0251 6.0251 6.1475 6.1475 6.2929 6.2929 6.4417 6.4417 6.6333 6.6333 8.4086 8.4086 10.4197 10.4197 k =-0.3735 0.5314 0.6832 ( 3783 PWs) bands (ev): -0.5771 -0.5771 -0.5013 -0.5013 1.0989 1.0989 1.3240 1.3240 1.3747 1.3747 3.1950 3.1950 3.7655 3.7655 3.8315 3.8315 4.1041 4.1041 4.1306 4.1306 4.3264 4.3264 4.7753 4.7753 5.0919 5.0919 5.2984 5.2984 5.5124 5.5124 5.5944 5.5944 5.7059 5.7059 5.8588 5.8588 6.0560 6.0560 6.1898 6.1898 6.3073 6.3073 6.4835 6.4835 6.6680 6.6680 8.5017 8.5017 10.2565 10.2565 k =-0.3735 0.5314 0.7033 ( 3782 PWs) bands (ev): -0.5794 -0.5794 -0.5035 -0.5035 1.0860 1.0860 1.3375 1.3375 1.3779 1.3779 3.2599 3.2599 3.7568 3.7568 3.8280 3.8280 4.0934 4.0934 4.1199 4.1199 4.3294 4.3294 4.8027 4.8027 5.1294 5.1294 5.3397 5.3397 5.5630 5.5630 5.6042 5.6042 5.7276 5.7276 5.8973 5.8973 6.0890 6.0890 6.2323 6.2323 6.3249 6.3249 6.5367 6.5367 6.7099 6.7099 8.6004 8.6004 10.0831 10.0831 k =-0.3735 0.5314 0.7234 ( 3781 PWs) bands (ev): -0.5821 -0.5821 -0.5057 -0.5057 1.0739 1.0739 1.3501 1.3501 1.3812 1.3812 3.3223 3.3223 3.7478 3.7478 3.8241 3.8241 4.0827 4.0827 4.1096 4.1096 4.3319 4.3319 4.8318 4.8318 5.1591 5.1591 5.3701 5.3701 5.6021 5.6021 5.6238 5.6238 5.7545 5.7545 5.9348 5.9348 6.1235 6.1235 6.2714 6.2714 6.3472 6.3472 6.6040 6.6040 6.7612 6.7612 8.7045 8.7045 9.9031 9.9031 k =-0.3735 0.5314 0.7435 ( 3781 PWs) bands (ev): -0.5850 -0.5850 -0.5079 -0.5079 1.0625 1.0625 1.3613 1.3613 1.3848 1.3848 3.3815 3.3815 3.7388 3.7388 3.8203 3.8203 4.0722 4.0722 4.0997 4.0997 4.3339 4.3339 4.8624 4.8624 5.1823 5.1823 5.3924 5.3924 5.6140 5.6140 5.6672 5.6672 5.7848 5.7848 5.9695 5.9695 6.1577 6.1577 6.3045 6.3045 6.3752 6.3752 6.6869 6.6869 6.8240 6.8240 8.8134 8.8134 9.7198 9.7198 k =-0.3735 0.5314 0.7636 ( 3781 PWs) bands (ev): -0.5880 -0.5880 -0.5099 -0.5099 1.0519 1.0519 1.3706 1.3706 1.3892 1.3892 3.4364 3.4364 3.7300 3.7300 3.8168 3.8168 4.0619 4.0619 4.0903 4.0903 4.3354 4.3354 4.8942 4.8942 5.2004 5.2004 5.4088 5.4088 5.6216 5.6216 5.7105 5.7105 5.8164 5.8164 6.0011 6.0011 6.1897 6.1897 6.3326 6.3326 6.4075 6.4075 6.7850 6.7850 6.9002 6.9002 8.9253 8.9253 9.5369 9.5369 k =-0.3735 0.5314 0.7837 ( 3779 PWs) bands (ev): -0.5911 -0.5911 -0.5119 -0.5119 1.0421 1.0421 1.3776 1.3776 1.3949 1.3949 3.4864 3.4864 3.7216 3.7216 3.8140 3.8140 4.0521 4.0521 4.0815 4.0815 4.3365 4.3365 4.9267 4.9267 5.2147 5.2147 5.4214 5.4214 5.6289 5.6289 5.7505 5.7505 5.8475 5.8475 6.0296 6.0296 6.2180 6.2180 6.3579 6.3579 6.4416 6.4416 6.8967 6.8967 6.9903 6.9903 9.0321 9.0321 9.3638 9.3638 k =-0.3735 0.5314 0.8038 ( 3775 PWs) bands (ev): -0.5941 -0.5941 -0.5138 -0.5138 1.0331 1.0331 1.3823 1.3823 1.4019 1.4019 3.5307 3.5307 3.7135 3.7135 3.8123 3.8123 4.0429 4.0429 4.0734 4.0734 4.3373 4.3373 4.9590 4.9590 5.2262 5.2262 5.4312 5.4312 5.6365 5.6365 5.7871 5.7871 5.8767 5.8767 6.0554 6.0554 6.2423 6.2423 6.3821 6.3821 6.4768 6.4768 7.0198 7.0198 7.0939 7.0939 9.0686 9.0686 9.2659 9.2659 k =-0.3735 0.5314 0.8239 ( 3775 PWs) bands (ev): -0.5971 -0.5971 -0.5155 -0.5155 1.0250 1.0250 1.3856 1.3856 1.4092 1.4092 3.5687 3.5687 3.7061 3.7061 3.8122 3.8122 4.0342 4.0342 4.0659 4.0659 4.3378 4.3378 4.9902 4.9902 5.2358 5.2358 5.4390 5.4390 5.6447 5.6447 5.8207 5.8207 5.9034 5.9034 6.0787 6.0787 6.2630 6.2630 6.4053 6.4053 6.5136 6.5136 7.1519 7.1519 7.2094 7.2094 8.9369 8.9369 9.3403 9.3403 k =-0.3735 0.5314 0.8440 ( 3775 PWs) bands (ev): -0.6000 -0.6000 -0.5171 -0.5171 1.0177 1.0177 1.3880 1.3880 1.4163 1.4163 3.6000 3.6000 3.6994 3.6994 3.8138 3.8138 4.0264 4.0264 4.0591 4.0591 4.3381 4.3381 5.0194 5.0194 5.2441 5.2441 5.4454 5.4454 5.6532 5.6532 5.8514 5.8514 5.9275 5.9275 6.0999 6.0999 6.2806 6.2806 6.4271 6.4271 6.5540 6.5540 7.2908 7.2908 7.3350 7.3350 8.7677 8.7677 9.4517 9.4517 k =-0.3735 0.5314 0.8641 ( 3779 PWs) bands (ev): -0.6026 -0.6026 -0.5186 -0.5186 1.0112 1.0112 1.3899 1.3899 1.4227 1.4227 3.6244 3.6244 3.6936 3.6936 3.8175 3.8175 4.0193 4.0193 4.0531 4.0531 4.3382 4.3382 5.0457 5.0457 5.2515 5.2515 5.4506 5.4506 5.6619 5.6619 5.8788 5.8788 5.9492 5.9492 6.1190 6.1190 6.2958 6.2958 6.4466 6.4466 6.6001 6.6001 7.4337 7.4337 7.4687 7.4687 8.5987 8.5987 9.5466 9.5466 k =-0.3735 0.5314 0.8842 ( 3779 PWs) bands (ev): -0.6050 -0.6050 -0.5199 -0.5199 1.0056 1.0056 1.3915 1.3915 1.4283 1.4283 3.6421 3.6421 3.6889 3.6889 3.8228 3.8228 4.0130 4.0130 4.0479 4.0479 4.3383 4.3383 5.0684 5.0684 5.2582 5.2582 5.4548 5.4548 5.6704 5.6704 5.9024 5.9024 5.9687 5.9687 6.1358 6.1358 6.3089 6.3089 6.4635 6.4635 6.6536 6.6536 7.5759 7.5759 7.6090 7.6090 8.4386 8.4386 9.5733 9.5733 k =-0.3735 0.5314 0.9043 ( 3781 PWs) bands (ev): -0.6070 -0.6070 -0.5210 -0.5210 1.0008 1.0008 1.3928 1.3928 1.4332 1.4332 3.6538 3.6538 3.6856 3.6856 3.8292 3.8292 4.0077 4.0077 4.0435 4.0435 4.3382 4.3382 5.0872 5.0872 5.2643 5.2643 5.4583 5.4583 5.6784 5.6784 5.9219 5.9219 5.9859 5.9859 6.1504 6.1504 6.3199 6.3199 6.4775 6.4775 6.7153 6.7153 7.7076 7.7076 7.7542 7.7542 8.2982 8.2982 9.4956 9.4956 k =-0.3735 0.5314 0.9244 ( 3787 PWs) bands (ev): -0.6088 -0.6088 -0.5219 -0.5219 0.9969 0.9969 1.3939 1.3939 1.4372 1.4372 3.6602 3.6602 3.6841 3.6841 3.8358 3.8358 4.0033 4.0033 4.0399 4.0399 4.3381 4.3381 5.1020 5.1020 5.2697 5.2697 5.4610 5.4610 5.6855 5.6855 5.9372 5.9372 6.0006 6.0006 6.1626 6.1626 6.3290 6.3290 6.4886 6.4886 6.7845 6.7845 7.8018 7.8018 7.8999 7.8999 8.2074 8.2074 9.3576 9.3576 k =-0.3735 0.5314 0.9445 ( 3786 PWs) bands (ev): -0.6102 -0.6102 -0.5227 -0.5227 0.9939 0.9939 1.3946 1.3946 1.4403 1.4403 3.6627 3.6627 3.6842 3.6842 3.8418 3.8418 3.9998 3.9998 4.0371 4.0371 4.3380 4.3380 5.1130 5.1130 5.2741 5.2741 5.4631 5.4631 5.6914 5.6914 5.9486 5.9486 6.0125 6.0125 6.1722 6.1722 6.3361 6.3361 6.4971 6.4971 6.8583 6.8583 7.8044 7.8044 8.0388 8.0388 8.2252 8.2252 9.1991 9.1991 k =-0.3735 0.5314 0.9646 ( 3784 PWs) bands (ev): -0.6112 -0.6112 -0.5232 -0.5232 0.9918 0.9918 1.3952 1.3952 1.4425 1.4425 3.6632 3.6632 3.6850 3.6850 3.8466 3.8466 3.9973 3.9973 4.0351 4.0351 4.3379 4.3379 5.1206 5.1206 5.2775 5.2775 5.4645 5.4645 5.6957 5.6957 5.9564 5.9564 6.0212 6.0212 6.1791 6.1791 6.3412 6.3412 6.5029 6.5029 6.9297 6.9297 7.7365 7.7365 8.1617 8.1617 8.3349 8.3349 9.0363 9.0363 k =-0.3735 0.5314 0.9846 ( 3780 PWs) bands (ev): -0.6118 -0.6118 -0.5235 -0.5235 0.9905 0.9905 1.3955 1.3955 1.4438 1.4438 3.6630 3.6630 3.6856 3.6856 3.8496 3.8496 3.9958 3.9958 4.0339 4.0339 4.3378 4.3378 5.1250 5.1250 5.2796 5.2796 5.4654 5.4654 5.6984 5.6984 5.9609 5.9609 6.0265 6.0265 6.1833 6.1833 6.3443 6.3443 6.5064 6.5064 6.9860 6.9860 7.6690 7.6690 8.2526 8.2526 8.4692 8.4692 8.8828 8.8828 k =-0.3735 0.5314 1.0047 ( 3778 PWs) bands (ev): -0.6120 -0.6120 -0.5236 -0.5236 0.9900 0.9900 1.3956 1.3956 1.4443 1.4443 3.6629 3.6629 3.6859 3.6859 3.8506 3.8506 3.9953 3.9953 4.0335 4.0335 4.3378 4.3378 5.1264 5.1264 5.2803 5.2803 5.4657 5.4657 5.6993 5.6993 5.9624 5.9624 6.0283 6.0283 6.1847 6.1847 6.3453 6.3453 6.5076 6.5076 7.0084 7.0084 7.6415 7.6415 8.2876 8.2876 8.5519 8.5519 8.7949 8.7949 k =-0.3735 0.5314 1.0047 ( 3778 PWs) bands (ev): -0.6120 -0.6120 -0.5236 -0.5236 0.9900 0.9900 1.3956 1.3956 1.4443 1.4443 3.6629 3.6629 3.6859 3.6859 3.8506 3.8506 3.9953 3.9953 4.0335 4.0335 4.3378 4.3378 5.1264 5.1264 5.2803 5.2803 5.4657 5.4657 5.6993 5.6993 5.9624 5.9624 6.0283 6.0283 6.1847 6.1847 6.3453 6.3453 6.5076 6.5076 7.0084 7.0084 7.6415 7.6415 8.2876 8.2876 8.5519 8.5519 8.7949 8.7949 k =-0.3850 0.5150 1.0047 ( 3782 PWs) bands (ev): -0.6131 -0.6131 -0.5245 -0.5245 0.9876 0.9876 1.3936 1.3936 1.4402 1.4402 3.6522 3.6522 3.6751 3.6751 3.8408 3.8408 3.9941 3.9941 4.0322 4.0322 4.3419 4.3419 5.1378 5.1378 5.2878 5.2878 5.4796 5.4796 5.7058 5.7058 5.9771 5.9771 6.0582 6.0582 6.2018 6.2018 6.3741 6.3741 6.5340 6.5340 7.0584 7.0584 7.5833 7.5833 8.2170 8.2170 8.5782 8.5782 8.7991 8.7991 k =-0.3965 0.4987 1.0047 ( 3778 PWs) bands (ev): -0.6140 -0.6140 -0.5253 -0.5253 0.9854 0.9854 1.3917 1.3917 1.4363 1.4363 3.6422 3.6422 3.6654 3.6654 3.8315 3.8315 3.9932 3.9932 4.0312 4.0312 4.3451 4.3451 5.1482 5.1482 5.2949 5.2949 5.4922 5.4922 5.7128 5.7128 5.9907 5.9907 6.0861 6.0861 6.2187 6.2187 6.4000 6.4000 6.5606 6.5606 7.1092 7.1092 7.5272 7.5272 8.1510 8.1510 8.6090 8.6090 8.8043 8.8043 k =-0.4080 0.4823 1.0047 ( 3766 PWs) bands (ev): -0.6149 -0.6149 -0.5261 -0.5261 0.9833 0.9833 1.3899 1.3899 1.4327 1.4327 3.6328 3.6328 3.6567 3.6567 3.8230 3.8230 3.9926 3.9926 4.0305 4.0305 4.3477 4.3477 5.1576 5.1576 5.3016 5.3016 5.5033 5.5033 5.7202 5.7202 6.0032 6.0032 6.1112 6.1112 6.2355 6.2355 6.4227 6.4227 6.5873 6.5873 7.1588 7.1588 7.4751 7.4751 8.0899 8.0899 8.6429 8.6429 8.8106 8.8106 k =-0.4195 0.4660 1.0047 ( 3758 PWs) bands (ev): -0.6157 -0.6157 -0.5267 -0.5267 0.9815 0.9815 1.3882 1.3882 1.4294 1.4294 3.6243 3.6243 3.6491 3.6491 3.8153 3.8153 3.9923 3.9923 4.0301 4.0301 4.3495 4.3495 5.1660 5.1660 5.3079 5.3079 5.5131 5.5131 5.7276 5.7276 6.0149 6.0149 6.1334 6.1334 6.2522 6.2522 6.4421 6.4421 6.6135 6.6135 7.2035 7.2035 7.4302 7.4302 8.0342 8.0342 8.6783 8.6783 8.8183 8.8183 k =-0.4310 0.4496 1.0047 ( 3754 PWs) bands (ev): -0.6164 -0.6164 -0.5273 -0.5273 0.9799 0.9799 1.3867 1.3867 1.4265 1.4265 3.6168 3.6168 3.6426 3.6426 3.8085 3.8085 3.9921 3.9921 4.0298 4.0298 4.3509 4.3509 5.1733 5.1733 5.3136 5.3136 5.5215 5.5215 5.7347 5.7347 6.0255 6.0255 6.1523 6.1523 6.2685 6.2685 6.4584 6.4584 6.6384 6.6384 7.2361 7.2361 7.3993 7.3993 7.9844 7.9844 8.7133 8.7133 8.8280 8.8280 k =-0.4425 0.4332 1.0047 ( 3758 PWs) bands (ev): -0.6170 -0.6170 -0.5279 -0.5279 0.9785 0.9785 1.3854 1.3854 1.4240 1.4240 3.6102 3.6102 3.6370 3.6370 3.8026 3.8026 3.9919 3.9919 4.0296 4.0296 4.3518 4.3518 5.1794 5.1794 5.3187 5.3187 5.5286 5.5286 5.7413 5.7413 6.0349 6.0349 6.1681 6.1681 6.2840 6.2840 6.4717 6.4717 6.6613 6.6613 7.2453 7.2453 7.3931 7.3931 7.9410 7.9410 8.7452 8.7452 8.8407 8.8407 k =-0.4540 0.4169 1.0047 ( 3752 PWs) bands (ev): -0.6175 -0.6175 -0.5283 -0.5283 0.9773 0.9773 1.3843 1.3843 1.4219 1.4219 3.6047 3.6047 3.6326 3.6326 3.7977 3.7977 3.9919 3.9919 4.0296 4.0296 4.3524 4.3524 5.1845 5.1845 5.3231 5.3231 5.5343 5.5343 5.7470 5.7470 6.0428 6.0428 6.1808 6.1808 6.2982 6.2982 6.4823 6.4823 6.6812 6.6812 7.2322 7.2322 7.4099 7.4099 7.9045 7.9045 8.7710 8.7710 8.8572 8.8572 k =-0.4655 0.4005 1.0047 ( 3760 PWs) bands (ev): -0.6179 -0.6179 -0.5287 -0.5287 0.9764 0.9764 1.3835 1.3835 1.4202 1.4202 3.6004 3.6004 3.6291 3.6291 3.7939 3.7939 3.9919 3.9919 4.0296 4.0296 4.3528 4.3528 5.1884 5.1884 5.3266 5.3266 5.5388 5.5388 5.7517 5.7517 6.0493 6.0493 6.1905 6.1905 6.3104 6.3104 6.4904 6.4904 6.6976 6.6976 7.2118 7.2118 7.4339 7.4339 7.8754 7.8754 8.7892 8.7892 8.8763 8.8763 k =-0.4770 0.3842 1.0047 ( 3772 PWs) bands (ev): -0.6182 -0.6182 -0.5289 -0.5289 0.9757 0.9757 1.3828 1.3828 1.4190 1.4190 3.5973 3.5973 3.6266 3.6266 3.7911 3.7911 3.9919 3.9919 4.0296 4.0296 4.3531 4.3531 5.1912 5.1912 5.3292 5.3292 5.5420 5.5420 5.7551 5.7551 6.0539 6.0539 6.1974 6.1974 6.3197 6.3197 6.4962 6.4962 6.7098 6.7098 7.1936 7.1936 7.4551 7.4551 7.8542 7.8542 8.8007 8.8007 8.8945 8.8945 k =-0.4885 0.3678 1.0047 ( 3776 PWs) bands (ev): -0.6184 -0.6184 -0.5291 -0.5291 0.9753 0.9753 1.3824 1.3824 1.4183 1.4183 3.5954 3.5954 3.6251 3.6251 3.7895 3.7895 3.9919 3.9919 4.0296 4.0296 4.3532 4.3532 5.1929 5.1929 5.3308 5.3308 5.5439 5.5439 5.7573 5.7573 6.0568 6.0568 6.2015 6.2015 6.3257 6.3257 6.4996 6.4996 6.7173 6.7173 7.1816 7.1816 7.4692 7.4692 7.8412 7.8412 8.8070 8.8070 8.9074 8.9074 k =-0.5000 0.3515 1.0047 ( 3776 PWs) bands (ev): -0.6184 -0.6184 -0.5291 -0.5291 0.9752 0.9752 1.3823 1.3823 1.4180 1.4180 3.5948 3.5948 3.6246 3.6246 3.7889 3.7889 3.9919 3.9919 4.0296 4.0296 4.3532 4.3532 5.1935 5.1935 5.3313 5.3313 5.5445 5.5445 5.7580 5.7580 6.0578 6.0578 6.2028 6.2028 6.3277 6.3277 6.5007 6.5007 6.7198 6.7198 7.1774 7.1774 7.4741 7.4741 7.8368 7.8368 8.8090 8.8090 8.9120 8.9120 k =-0.5000 0.3515 1.0047 ( 3776 PWs) bands (ev): -0.6184 -0.6184 -0.5291 -0.5291 0.9752 0.9752 1.3823 1.3823 1.4180 1.4180 3.5948 3.5948 3.6246 3.6246 3.7889 3.7889 3.9919 3.9919 4.0296 4.0296 4.3532 4.3532 5.1935 5.1935 5.3313 5.3313 5.5445 5.5445 5.7580 5.7580 6.0578 6.0578 6.2028 6.2028 6.3277 6.3277 6.5007 6.5007 6.7198 6.7198 7.1774 7.1774 7.4741 7.4741 7.8368 7.8368 8.8090 8.8090 8.9120 8.9120 k =-0.5000 0.3515 0.9846 ( 3784 PWs) bands (ev): -0.6182 -0.6182 -0.5290 -0.5290 0.9756 0.9756 1.3822 1.3822 1.4176 1.4176 3.5951 3.5951 3.6240 3.6240 3.7883 3.7883 3.9922 3.9922 4.0300 4.0300 4.3532 4.3532 5.1924 5.1924 5.3306 5.3306 5.5446 5.5446 5.7575 5.7575 6.0567 6.0567 6.2003 6.2003 6.3266 6.3266 6.4992 6.4992 6.7180 6.7180 7.1232 7.1232 7.5352 7.5352 7.8144 7.8144 8.7860 8.7860 8.8879 8.8879 k =-0.5000 0.3515 0.9646 ( 3780 PWs) bands (ev): -0.6176 -0.6176 -0.5287 -0.5287 0.9770 0.9770 1.3820 1.3820 1.4164 1.4164 3.5960 3.5960 3.6219 3.6219 3.7867 3.7867 3.9933 3.9933 4.0311 4.0311 4.3531 4.3531 5.1890 5.1890 5.3285 5.3285 5.5448 5.5448 5.7559 5.7559 6.0534 6.0534 6.1927 6.1927 6.3234 6.3234 6.4946 6.4946 6.7127 6.7127 7.0199 7.0199 7.6497 7.6497 7.7619 7.7619 8.7212 8.7212 8.8237 8.8237 k =-0.5000 0.3515 0.9445 ( 3772 PWs) bands (ev): -0.6165 -0.6165 -0.5281 -0.5281 0.9792 0.9792 1.3816 1.3816 1.4144 1.4144 3.5971 3.5971 3.6185 3.6185 3.7843 3.7843 3.9951 3.9951 4.0331 4.0331 4.3529 4.3529 5.1832 5.1832 5.3251 5.3251 5.5451 5.5451 5.7532 5.7532 6.0479 6.0479 6.1793 6.1793 6.3180 6.3180 6.4867 6.4867 6.7034 6.7034 6.9130 6.9130 7.6333 7.6333 7.8292 7.8292 8.6255 8.6255 8.7347 8.7347 k =-0.5000 0.3515 0.9244 ( 3772 PWs) bands (ev): -0.6151 -0.6151 -0.5274 -0.5274 0.9823 0.9823 1.3810 1.3810 1.4115 1.4115 3.5969 3.5969 3.6143 3.6143 3.7817 3.7817 3.9976 3.9976 4.0359 4.0359 4.3525 4.3525 5.1746 5.1746 5.3207 5.3207 5.5456 5.5456 5.7496 5.7496 6.0400 6.0400 6.1595 6.1595 6.3104 6.3104 6.4755 6.4755 6.6893 6.6893 6.8155 6.8155 7.5234 7.5234 7.9739 7.9739 8.5137 8.5137 8.6342 8.6342 k =-0.5000 0.3515 0.9043 ( 3772 PWs) bands (ev): -0.6133 -0.6133 -0.5264 -0.5264 0.9863 0.9863 1.3803 1.3803 1.4078 1.4078 3.5915 3.5915 3.6127 3.6127 3.7795 3.7795 4.0008 4.0008 4.0396 4.0396 4.3521 4.3521 5.1629 5.1629 5.3153 5.3153 5.5462 5.5462 5.7450 5.7450 6.0293 6.0293 6.1324 6.1324 6.3008 6.3008 6.4607 6.4607 6.6674 6.6674 6.7347 6.7347 7.3990 7.3990 8.1004 8.1004 8.4060 8.4060 8.5395 8.5395 k =-0.5000 0.3515 0.8842 ( 3760 PWs) bands (ev): -0.6111 -0.6111 -0.5252 -0.5252 0.9911 0.9911 1.3794 1.3794 1.4033 1.4033 3.5785 3.5785 3.6150 3.6150 3.7784 3.7784 4.0048 4.0048 4.0441 4.0441 4.3515 4.3515 5.1478 5.1478 5.3092 5.3092 5.5470 5.5470 5.7394 5.7394 6.0155 6.0155 6.0980 6.0980 6.2890 6.2890 6.4422 6.4422 6.6290 6.6290 6.6804 6.6804 7.2698 7.2698 8.1250 8.1250 8.3250 8.3250 8.5176 8.5176 k =-0.5000 0.3515 0.8641 ( 3754 PWs) bands (ev): -0.6086 -0.6086 -0.5238 -0.5238 0.9969 0.9969 1.3783 1.3783 1.3980 1.3980 3.5588 3.5588 3.6195 3.6195 3.7790 3.7790 4.0095 4.0095 4.0495 4.0495 4.3507 4.3507 5.1291 5.1291 5.3025 5.3025 5.5479 5.5479 5.7329 5.7329 5.9976 5.9976 6.0575 6.0575 6.2748 6.2748 6.4206 6.4206 6.5793 6.5793 6.6465 6.6465 7.1414 7.1414 8.0328 8.0328 8.2278 8.2278 8.6320 8.6320 k =-0.5000 0.3515 0.8440 ( 3762 PWs) bands (ev): -0.6059 -0.6059 -0.5223 -0.5223 1.0035 1.0035 1.3771 1.3771 1.3918 1.3918 3.5331 3.5331 3.6250 3.6250 3.7815 3.7815 4.0149 4.0149 4.0557 4.0557 4.3496 4.3496 5.1069 5.1069 5.2950 5.2950 5.5489 5.5489 5.7255 5.7255 5.9733 5.9733 6.0144 6.0144 6.2579 6.2579 6.3965 6.3965 6.5325 6.5325 6.6150 6.6150 7.0180 7.0180 7.9092 7.9092 8.1155 8.1155 8.8007 8.8007 k =-0.5000 0.3515 0.8239 ( 3768 PWs) bands (ev): -0.6030 -0.6030 -0.5205 -0.5205 1.0109 1.0109 1.3757 1.3757 1.3848 1.3848 3.5013 3.5013 3.6314 3.6314 3.7861 3.7861 4.0210 4.0210 4.0627 4.0627 4.3482 4.3482 5.0815 5.0815 5.2864 5.2864 5.5502 5.5502 5.7170 5.7170 5.9381 5.9381 5.9753 5.9753 6.2376 6.2376 6.3713 6.3713 6.4881 6.4881 6.5815 6.5815 6.9041 6.9041 7.7808 7.7808 8.0018 8.0018 8.9865 8.9865 k =-0.5000 0.3515 0.8038 ( 3770 PWs) bands (ev): -0.5998 -0.5998 -0.5187 -0.5187 1.0193 1.0193 1.3742 1.3742 1.3769 1.3769 3.4638 3.4638 3.6384 3.6384 3.7927 3.7927 4.0277 4.0277 4.0705 4.0705 4.3466 4.3466 5.0533 5.0533 5.2763 5.2763 5.5515 5.5515 5.7072 5.7072 5.8930 5.8930 5.9406 5.9406 6.2127 6.2127 6.3457 6.3457 6.4406 6.4406 6.5472 6.5472 6.8038 6.8038 7.6545 7.6545 7.8917 7.8917 9.1805 9.1805 k =-0.5000 0.3515 0.7837 ( 3764 PWs) bands (ev): -0.5966 -0.5966 -0.5167 -0.5167 1.0285 1.0285 1.3681 1.3681 1.3725 1.3725 3.4208 3.4208 3.6458 3.6458 3.8012 3.8012 4.0351 4.0351 4.0790 4.0790 4.3445 4.3445 5.0231 5.0231 5.2636 5.2636 5.5529 5.5529 5.6953 5.6953 5.8455 5.8455 5.9042 5.9042 6.1816 6.1816 6.3197 6.3197 6.3862 6.3862 6.5154 6.5154 6.7195 6.7195 7.5331 7.5331 7.7873 7.7873 9.3796 9.3796 k =-0.5000 0.3515 0.7636 ( 3764 PWs) bands (ev): -0.5934 -0.5934 -0.5146 -0.5146 1.0385 1.0385 1.3585 1.3585 1.3707 1.3707 3.3730 3.3730 3.6535 3.6535 3.8112 3.8112 4.0429 4.0429 4.0881 4.0881 4.3420 4.3420 4.9916 4.9916 5.2473 5.2473 5.5542 5.5542 5.6798 5.6798 5.8004 5.8004 5.8628 5.8628 6.1428 6.1428 6.2894 6.2894 6.3303 6.3303 6.4880 6.4880 6.6502 6.6502 7.4181 7.4181 7.6900 7.6900 9.5821 9.5821 k =-0.5000 0.3515 0.7435 ( 3772 PWs) bands (ev): -0.5902 -0.5902 -0.5124 -0.5124 1.0494 1.0494 1.3480 1.3480 1.3687 1.3687 3.3209 3.3209 3.6614 3.6614 3.8226 3.8226 4.0513 4.0513 4.0979 4.0979 4.3390 4.3390 4.9595 4.9595 5.2256 5.2256 5.5551 5.5551 5.6583 5.6583 5.7612 5.7612 5.8148 5.8148 6.0952 6.0952 6.2433 6.2433 6.2914 6.2914 6.4647 6.4647 6.5923 6.5923 7.3105 7.3105 7.6008 7.6008 9.7870 9.7870 k =-0.5000 0.3515 0.7234 ( 3768 PWs) bands (ev): -0.5871 -0.5871 -0.5101 -0.5101 1.0610 1.0610 1.3367 1.3367 1.3666 1.3666 3.2651 3.2651 3.6693 3.6693 3.8352 3.8352 4.0600 4.0600 4.1081 4.1081 4.3355 4.3355 4.9273 4.9273 5.1969 5.1969 5.5544 5.5544 5.6293 5.6293 5.7295 5.7295 5.7609 5.7609 6.0407 6.0407 6.1894 6.1894 6.2669 6.2669 6.4443 6.4443 6.5422 6.5422 7.2111 7.2111 7.5199 7.5199 9.9932 9.9932 k =-0.5000 0.3515 0.7033 ( 3776 PWs) bands (ev): -0.5843 -0.5843 -0.5078 -0.5078 1.0735 1.0735 1.3246 1.3246 1.3644 1.3644 3.2063 3.2063 3.6769 3.6769 3.8489 3.8489 4.0690 4.0690 4.1187 4.1187 4.3314 4.3314 4.8955 4.8955 5.1591 5.1591 5.5469 5.5469 5.5985 5.5985 5.6902 5.6902 5.7158 5.7158 5.9840 5.9840 6.1392 6.1392 6.2465 6.2465 6.4259 6.4259 6.4978 6.4978 7.1202 7.1202 7.4473 7.4473 10.1999 10.1999 k =-0.5000 0.3515 0.6832 ( 3780 PWs) bands (ev): -0.5817 -0.5817 -0.5054 -0.5054 1.0867 1.0867 1.3117 1.3117 1.3621 1.3621 3.1454 3.1454 3.6841 3.6841 3.8634 3.8634 4.0781 4.0781 4.1295 4.1295 4.3266 4.3266 4.8642 4.8642 5.1110 5.1110 5.5187 5.5187 5.5824 5.5824 5.6257 5.6257 5.6948 5.6948 5.9304 5.9304 6.0938 6.0938 6.2277 6.2277 6.4084 6.4084 6.4583 6.4583 7.0376 7.0376 7.3826 7.3826 10.4058 10.4058 k =-0.5000 0.3515 0.6631 ( 3780 PWs) bands (ev): -0.5796 -0.5796 -0.5030 -0.5030 1.1006 1.1006 1.2982 1.2982 1.3596 1.3596 3.0829 3.0829 3.6905 3.6905 3.8786 3.8786 4.0873 4.0873 4.1405 4.1405 4.3212 4.3212 4.8333 4.8333 5.0525 5.0525 5.4723 5.4723 5.5541 5.5541 5.5803 5.5803 5.6782 5.6782 5.8841 5.8841 6.0530 6.0530 6.2096 6.2096 6.3900 6.3900 6.4245 6.4245 6.9631 6.9631 7.3251 7.3251 10.6094 10.6094 k =-0.5000 0.3515 0.6430 ( 3780 PWs) bands (ev): -0.5779 -0.5779 -0.5005 -0.5005 1.1152 1.1152 1.2839 1.2839 1.3570 1.3570 3.0197 3.0197 3.6957 3.6957 3.8942 3.8942 4.0963 4.0963 4.1514 4.1514 4.3151 4.3151 4.8022 4.8022 4.9854 4.9854 5.4166 5.4166 5.4798 5.4798 5.5816 5.5816 5.6630 5.6630 5.8475 5.8475 6.0164 6.0164 6.1920 6.1920 6.3682 6.3682 6.3986 6.3986 6.8961 6.8961 7.2741 7.2741 10.8087 10.8087 k =-0.5000 0.3515 0.6229 ( 3772 PWs) bands (ev): -0.5769 -0.5769 -0.4981 -0.4981 1.1303 1.1303 1.2692 1.2692 1.3543 1.3543 2.9564 2.9564 3.6995 3.6995 3.9101 3.9101 4.1050 4.1050 4.1621 4.1621 4.3082 4.3082 4.7699 4.7699 4.9131 4.9131 5.3541 5.3541 5.4031 5.4031 5.5844 5.5844 5.6497 5.6497 5.8208 5.8208 5.9840 5.9840 6.1745 6.1745 6.3427 6.3427 6.3803 6.3803 6.8360 6.8360 7.2288 7.2288 11.0008 11.0008 k =-0.5000 0.3515 0.6028 ( 3776 PWs) bands (ev): -0.5765 -0.5765 -0.4956 -0.4956 1.1458 1.1458 1.2543 1.2543 1.3516 1.3516 2.8937 2.8937 3.7011 3.7011 3.9260 3.9260 4.1130 4.1130 4.1723 4.1723 4.3005 4.3005 4.7334 4.7334 4.8412 4.8412 5.2864 5.2864 5.3243 5.3243 5.5875 5.5875 5.6393 5.6393 5.8024 5.8024 5.9558 5.9558 6.1571 6.1571 6.3169 6.3169 6.3660 6.3660 6.7818 6.7818 7.1883 7.1883 11.1819 11.1819 k =-0.5000 0.3515 0.5827 ( 3780 PWs) bands (ev): -0.5770 -0.5770 -0.4932 -0.4932 1.1612 1.1612 1.2395 1.2395 1.3487 1.3487 2.8321 2.8321 3.7000 3.7000 3.9417 3.9417 4.1202 4.1202 4.1818 4.1818 4.2918 4.2918 4.6869 4.6869 4.7782 4.7782 5.2157 5.2157 5.2441 5.2441 5.5903 5.5903 5.6329 5.6329 5.7902 5.7902 5.9316 5.9316 6.1395 6.1395 6.2928 6.2928 6.3536 6.3536 6.7330 6.7330 7.1519 7.1519 11.3466 11.3466 k =-0.5000 0.3515 0.5627 ( 3788 PWs) bands (ev): -0.5784 -0.5784 -0.4908 -0.4908 1.1751 1.1751 1.2266 1.2266 1.3458 1.3458 2.7720 2.7720 3.6953 3.6953 3.9566 3.9566 4.1259 4.1259 4.1902 4.1902 4.2821 4.2821 4.6266 4.6266 4.7302 4.7302 5.1447 5.1447 5.1635 5.1635 5.5921 5.5921 5.6310 5.6310 5.7823 5.7823 5.9112 5.9112 6.1218 6.1218 6.2709 6.2709 6.3423 6.3423 6.6887 6.6887 7.1190 7.1190 11.4886 11.4886 k =-0.5000 0.3515 0.5426 ( 3796 PWs) bands (ev): -0.5808 -0.5808 -0.4885 -0.4885 1.1820 1.1820 1.2210 1.2210 1.3428 1.3428 2.7139 2.7139 3.6861 3.6861 3.9703 3.9703 4.1297 4.1297 4.1971 4.1971 4.2713 4.2713 4.5598 4.5598 4.6921 4.6921 5.0757 5.0757 5.0841 5.0841 5.5927 5.5927 5.6334 5.6334 5.7772 5.7772 5.8944 5.8944 6.1040 6.1040 6.2513 6.2513 6.3319 6.3319 6.6485 6.6485 7.0891 7.0891 11.6022 11.6022 k =-0.5000 0.3515 0.5225 ( 3808 PWs) bands (ev): -0.5842 -0.5842 -0.4862 -0.4862 1.1755 1.1755 1.2291 1.2291 1.3397 1.3397 2.6580 2.6580 3.6714 3.6714 3.9822 3.9822 4.1308 4.1308 4.2020 4.2020 4.2591 4.2591 4.4952 4.4952 4.6575 4.6575 5.0064 5.0064 5.0116 5.0116 5.5923 5.5923 5.6392 5.6392 5.7738 5.7738 5.8810 5.8810 6.0861 6.0861 6.2338 6.2338 6.3223 6.3223 6.6117 6.6117 7.0618 7.0618 11.6849 11.6849 k =-0.5000 0.3515 0.5024 ( 3804 PWs) bands (ev): -0.5888 -0.5888 -0.4840 -0.4840 1.1621 1.1621 1.2448 1.2448 1.3367 1.3367 2.6047 2.6047 3.6501 3.6501 3.9912 3.9912 4.1280 4.1280 4.2039 4.2039 4.2460 4.2460 4.4378 4.4378 4.6238 4.6238 4.9343 4.9343 4.9524 4.9524 5.5916 5.5916 5.6472 5.6472 5.7713 5.7713 5.8706 5.8706 6.0683 6.0683 6.2182 6.2182 6.3135 6.3135 6.5781 6.5781 7.0365 7.0365 11.7387 11.7387 k =-0.5000 0.3515 0.4823 ( 3802 PWs) bands (ev): -0.5945 -0.5945 -0.4818 -0.4818 1.1470 1.1470 1.2628 1.2628 1.3335 1.3335 2.5541 2.5541 3.6215 3.6215 3.9962 3.9962 4.1201 4.1201 4.2013 4.2013 4.2333 4.2333 4.3901 4.3901 4.5906 4.5906 4.8684 4.8684 4.9005 4.9005 5.5908 5.5908 5.6568 5.6568 5.7694 5.7694 5.8628 5.8628 6.0508 6.0508 6.2045 6.2045 6.3056 6.3056 6.5473 6.5473 7.0132 7.0132 11.7691 11.7691 k =-0.5000 0.3515 0.4622 ( 3802 PWs) bands (ev): -0.6014 -0.6014 -0.4797 -0.4797 1.1315 1.1315 1.2818 1.2818 1.3304 1.3304 2.5063 2.5063 3.5851 3.5851 3.9956 3.9956 4.1055 4.1055 4.1924 4.1924 4.2239 4.2239 4.3526 4.3526 4.5590 4.5590 4.8108 4.8108 4.8560 4.8560 5.5902 5.5902 5.6675 5.6675 5.7676 5.7676 5.8572 5.8572 6.0337 6.0337 6.1923 6.1923 6.2986 6.2986 6.5190 6.5190 6.9914 6.9914 11.7825 11.7825 k =-0.5000 0.3515 0.4421 ( 3796 PWs) bands (ev): -0.6094 -0.6094 -0.4777 -0.4777 1.1163 1.1163 1.3014 1.3014 1.3274 1.3274 2.4614 2.4614 3.5413 3.5413 3.9880 3.9880 4.0831 4.0831 4.1781 4.1781 4.2185 4.2185 4.3242 4.3242 4.5309 4.5309 4.7631 4.7631 4.8186 4.8186 5.5898 5.5898 5.6789 5.6789 5.7659 5.7659 5.8532 5.8532 6.0173 6.0173 6.1816 6.1816 6.2927 6.2927 6.4931 6.4931 6.9711 6.9711 11.7839 11.7839 k =-0.5000 0.3515 0.4220 ( 3794 PWs) bands (ev): -0.6186 -0.6186 -0.4758 -0.4758 1.1016 1.1016 1.3199 1.3199 1.3257 1.3257 2.4194 2.4194 3.4912 3.4912 3.9723 3.9723 4.0528 4.0528 4.1615 4.1615 4.2153 4.2153 4.3030 4.3030 4.5079 4.5079 4.7261 4.7261 4.7872 4.7872 5.5897 5.5897 5.6907 5.6907 5.7641 5.7641 5.8504 5.8504 6.0018 6.0018 6.1721 6.1721 6.2879 6.2879 6.4694 6.4694 6.9520 6.9520 11.7773 11.7773 k =-0.5000 0.3515 0.4019 ( 3794 PWs) bands (ev): -0.6289 -0.6289 -0.4739 -0.4739 1.0876 1.0876 1.3205 1.3205 1.3422 1.3422 2.3803 2.3803 3.4361 3.4361 3.9479 3.9479 4.0154 4.0154 4.1440 4.1440 4.2132 4.2132 4.2878 4.2878 4.4911 4.4911 4.6997 4.6997 4.7609 4.7609 5.5898 5.5898 5.7025 5.7025 5.7622 5.7622 5.8481 5.8481 5.9874 5.9874 6.1639 6.1639 6.2844 6.2844 6.4479 6.4479 6.9341 6.9341 11.7653 11.7653 k =-0.5000 0.3515 0.3818 ( 3796 PWs) bands (ev): -0.6402 -0.6402 -0.4722 -0.4722 1.0745 1.0745 1.3175 1.3175 1.3624 1.3624 2.3439 2.3439 3.3775 3.3775 3.9156 3.9156 3.9718 3.9718 4.1266 4.1266 4.2110 4.2110 4.2785 4.2785 4.4803 4.4803 4.6828 4.6828 4.7389 4.7389 5.5903 5.5903 5.7140 5.7140 5.7601 5.7601 5.8461 5.8461 5.9741 5.9741 6.1566 6.1566 6.2824 6.2824 6.4284 6.4284 6.9172 6.9172 11.7495 11.7495 k =-0.5000 0.3515 0.3617 ( 3794 PWs) bands (ev): -0.6524 -0.6524 -0.4706 -0.4706 1.0624 1.0624 1.3145 1.3145 1.3827 1.3827 2.3103 2.3103 3.3170 3.3170 3.8768 3.8768 3.9236 3.9236 4.1101 4.1101 4.2072 4.2072 4.2751 4.2751 4.4745 4.4745 4.6736 4.6736 4.7207 4.7207 5.5912 5.5912 5.7245 5.7245 5.7580 5.7580 5.8443 5.8443 5.9623 5.9623 6.1503 6.1503 6.2818 6.2818 6.4110 6.4110 6.9013 6.9013 11.7312 11.7312 k =-0.5000 0.3515 0.3416 ( 3794 PWs) bands (ev): -0.6653 -0.6653 -0.4691 -0.4691 1.0514 1.0514 1.3115 1.3115 1.4029 1.4029 2.2794 2.2794 3.2559 3.2559 3.8332 3.8332 3.8723 3.8723 4.0948 4.0948 4.2017 4.2017 4.2766 4.2766 4.4724 4.4724 4.6698 4.6698 4.7065 4.7065 5.5925 5.5925 5.7327 5.7327 5.7566 5.7566 5.8425 5.8425 5.9519 5.9519 6.1449 6.1449 6.2826 6.2826 6.3954 6.3954 6.8862 6.8862 11.7108 11.7108 k =-0.5000 0.3515 0.3215 ( 3790 PWs) bands (ev): -0.6789 -0.6789 -0.4676 -0.4676 1.0414 1.0414 1.3086 1.3086 1.4229 1.4229 2.2509 2.2509 3.1951 3.1951 3.7869 3.7869 3.8193 3.8193 4.0808 4.0808 4.1952 4.1952 4.2815 4.2815 4.4727 4.4727 4.6680 4.6680 4.6978 4.6978 5.5942 5.5942 5.7363 5.7363 5.7579 5.7579 5.8409 5.8409 5.9431 5.9431 6.1403 6.1403 6.2850 6.2850 6.3816 6.3816 6.8721 6.8721 11.6882 11.6882 k =-0.5000 0.3515 0.3014 ( 3798 PWs) bands (ev): -0.6929 -0.6929 -0.4663 -0.4663 1.0325 1.0325 1.3057 1.3057 1.4425 1.4425 2.2249 2.2249 3.1356 3.1356 3.7394 3.7394 3.7659 3.7659 4.0675 4.0675 4.1885 4.1885 4.2883 4.2883 4.4745 4.4745 4.6644 4.6644 4.6970 4.6970 5.5964 5.5964 5.7343 5.7343 5.7620 5.7620 5.8397 5.8397 5.9360 5.9360 6.1365 6.1365 6.2886 6.2886 6.3695 6.3695 6.8587 6.8587 11.6629 11.6629 k =-0.5000 0.3515 0.2813 ( 3798 PWs) bands (ev): -0.7071 -0.7071 -0.4651 -0.4651 1.0247 1.0247 1.3030 1.3030 1.4618 1.4618 2.2012 2.2012 3.0780 3.0780 3.6922 3.6922 3.7132 3.7132 4.0550 4.0550 4.1822 4.1822 4.2961 4.2961 4.4767 4.4767 4.6588 4.6588 4.7032 4.7032 5.5990 5.5990 5.7291 5.7291 5.7663 5.7663 5.8391 5.8391 5.9308 5.9308 6.1333 6.1333 6.2935 6.2935 6.3591 6.3591 6.8461 6.8461 11.6350 11.6350 k =-0.5000 0.3515 0.2612 ( 3812 PWs) bands (ev): -0.7214 -0.7214 -0.4640 -0.4640 1.0179 1.0179 1.3003 1.3003 1.4805 1.4805 2.1797 2.1797 3.0228 3.0228 3.6459 3.6459 3.6622 3.6622 4.0428 4.0428 4.1763 4.1763 4.3042 4.3042 4.4788 4.4788 4.6534 4.6534 4.7135 4.7135 5.6019 5.6019 5.7221 5.7221 5.7690 5.7690 5.8390 5.8390 5.9275 5.9275 6.1308 6.1308 6.2993 6.2993 6.3503 6.3503 6.8343 6.8343 11.6057 11.6057 k =-0.5000 0.3515 0.2411 ( 3808 PWs) bands (ev): -0.7356 -0.7356 -0.4630 -0.4630 1.0121 1.0121 1.2978 1.2978 1.4985 1.4985 2.1602 2.1602 2.9704 2.9704 3.6014 3.6014 3.6136 3.6136 4.0311 4.0311 4.1711 4.1711 4.3121 4.3121 4.4803 4.4803 4.6494 4.6494 4.7258 4.7258 5.6053 5.6053 5.7142 5.7142 5.7693 5.7693 5.8396 5.8396 5.9263 5.9263 6.1288 6.1288 6.3058 6.3058 6.3429 6.3429 6.8233 6.8233 11.5765 11.5765 k =-0.5000 0.3515 0.2210 ( 3808 PWs) bands (ev): -0.7495 -0.7495 -0.4621 -0.4621 1.0072 1.0072 1.2954 1.2954 1.5157 1.5157 2.1428 2.1428 2.9212 2.9212 3.5588 3.5588 3.5682 3.5682 4.0198 4.0198 4.1665 4.1665 4.3198 4.3198 4.4809 4.4809 4.6471 4.6471 4.7393 4.7393 5.6090 5.6090 5.7057 5.7057 5.7673 5.7673 5.8406 5.8406 5.9268 5.9268 6.1274 6.1274 6.3126 6.3126 6.3370 6.3370 6.8131 6.8131 11.5484 11.5484 k =-0.5000 0.3515 0.2009 ( 3808 PWs) bands (ev): -0.7629 -0.7629 -0.4612 -0.4612 1.0032 1.0032 1.2932 1.2932 1.5321 1.5321 2.1272 2.1272 2.8754 2.8754 3.5182 3.5182 3.5268 3.5268 4.0090 4.0090 4.1625 4.1625 4.3269 4.3269 4.4805 4.4805 4.6464 4.6464 4.7533 4.7533 5.6129 5.6129 5.6969 5.6969 5.7632 5.7632 5.8420 5.8420 5.9288 5.9288 6.1265 6.1265 6.3191 6.3191 6.3330 6.3330 6.8037 6.8037 11.5218 11.5218 k =-0.5000 0.3515 0.1809 ( 3804 PWs) bands (ev): -0.7756 -0.7756 -0.4605 -0.4605 0.9998 0.9998 1.2912 1.2912 1.5473 1.5473 2.1134 2.1134 2.8333 2.8333 3.4798 3.4798 3.4896 3.4896 3.9987 3.9987 4.1589 4.1589 4.3336 4.3336 4.4792 4.4792 4.6471 4.6471 4.7674 4.7674 5.6169 5.6169 5.6883 5.6883 5.7574 5.7574 5.8436 5.8436 5.9318 5.9318 6.1261 6.1261 6.3225 6.3225 6.3331 6.3331 6.7951 6.7951 11.4970 11.4970 k =-0.5000 0.3515 0.1608 ( 3792 PWs) bands (ev): -0.7875 -0.7875 -0.4599 -0.4599 0.9972 0.9972 1.2893 1.2893 1.5615 1.5615 2.1013 2.1013 2.7950 2.7950 3.4443 3.4443 3.4566 3.4566 3.9892 3.9892 4.1558 4.1558 4.3395 4.3395 4.4772 4.4772 4.6488 4.6488 4.7810 4.7810 5.6211 5.6211 5.6801 5.6801 5.7503 5.7503 5.8454 5.8454 5.9353 5.9353 6.1261 6.1261 6.3215 6.3215 6.3382 6.3382 6.7873 6.7873 11.4743 11.4743 k =-0.5000 0.3515 0.1407 ( 3780 PWs) bands (ev): -0.7983 -0.7983 -0.4593 -0.4593 0.9950 0.9950 1.2877 1.2877 1.5743 1.5743 2.0909 2.0909 2.7608 2.7608 3.4123 3.4123 3.4275 3.4275 3.9804 3.9804 4.1531 4.1531 4.3449 4.3449 4.4748 4.4748 4.6513 4.6513 4.7940 4.7940 5.6251 5.6251 5.6727 5.6727 5.7425 5.7425 5.8472 5.8472 5.9388 5.9388 6.1265 6.1265 6.3196 6.3196 6.3446 6.3446 6.7804 6.7804 11.4539 11.4539 k =-0.5000 0.3515 0.1206 ( 3794 PWs) bands (ev): -0.8080 -0.8080 -0.4588 -0.4588 0.9934 0.9934 1.2862 1.2862 1.5857 1.5857 2.0820 2.0820 2.7309 2.7309 3.3842 3.3842 3.4022 3.4022 3.9726 3.9726 4.1508 4.1508 4.3495 4.3495 4.4722 4.4722 4.6541 4.6541 4.8060 4.8060 5.6286 5.6286 5.6666 5.6666 5.7342 5.7342 5.8490 5.8490 5.9421 5.9421 6.1272 6.1272 6.3179 6.3179 6.3508 6.3508 6.7744 6.7744 11.4359 11.4359 k =-0.5000 0.3515 0.1005 ( 3770 PWs) bands (ev): -0.8165 -0.8165 -0.4584 -0.4584 0.9921 0.9921 1.2849 1.2849 1.5956 1.5956 2.0746 2.0746 2.7052 2.7052 3.3602 3.3602 3.3807 3.3807 3.9658 3.9658 4.1489 4.1489 4.3535 4.3535 4.4697 4.4697 4.6569 4.6569 4.8166 4.8166 5.6311 5.6311 5.6625 5.6625 5.7258 5.7258 5.8508 5.8508 5.9450 5.9450 6.1280 6.1280 6.3165 6.3165 6.3564 6.3564 6.7692 6.7692 11.4205 11.4205 k =-0.5000 0.3515 0.0804 ( 3766 PWs) bands (ev): -0.8235 -0.8235 -0.4581 -0.4581 0.9912 0.9912 1.2839 1.2839 1.6039 1.6039 2.0686 2.0686 2.6841 2.6841 3.3404 3.3404 3.3630 3.3630 3.9601 3.9601 4.1473 4.1473 4.3567 4.3567 4.4673 4.4673 4.6596 4.6596 4.8257 4.8257 5.6319 5.6319 5.6612 5.6612 5.7177 5.7177 5.8523 5.8523 5.9475 5.9475 6.1290 6.1290 6.3155 6.3155 6.3613 6.3613 6.7649 6.7649 11.4077 11.4077 k =-0.5000 0.3515 0.0603 ( 3770 PWs) bands (ev): -0.8291 -0.8291 -0.4579 -0.4579 0.9906 0.9906 1.2831 1.2831 1.6104 1.6104 2.0640 2.0640 2.6675 2.6675 3.3249 3.3249 3.3493 3.3493 3.9556 3.9556 4.1461 4.1461 4.3592 4.3592 4.4654 4.4654 4.6618 4.6618 4.8330 4.8330 5.6312 5.6312 5.6625 5.6625 5.7100 5.7100 5.8536 5.8536 5.9493 5.9493 6.1299 6.1299 6.3148 6.3148 6.3652 6.3652 6.7616 6.7616 11.3977 11.3977 k =-0.5000 0.3515 0.0402 ( 3772 PWs) bands (ev): -0.8331 -0.8331 -0.4577 -0.4577 0.9901 0.9901 1.2825 1.2825 1.6151 1.6151 2.0608 2.0608 2.6556 2.6556 3.3137 3.3137 3.3395 3.3395 3.9523 3.9523 4.1452 4.1452 4.3610 4.3610 4.4639 4.4639 4.6636 4.6636 4.8384 4.8384 5.6299 5.6299 5.6654 5.6654 5.7031 5.7031 5.8545 5.8545 5.9506 5.9506 6.1306 6.1306 6.3143 6.3143 6.3680 6.3680 6.7592 6.7592 11.3905 11.3905 k =-0.5000 0.3515 0.0201 ( 3776 PWs) bands (ev): -0.8355 -0.8355 -0.4576 -0.4576 0.9899 0.9899 1.2821 1.2821 1.6180 1.6180 2.0588 2.0588 2.6484 2.6484 3.3070 3.3070 3.3335 3.3335 3.9504 3.9504 4.1446 4.1446 4.3621 4.3621 4.4629 4.4629 4.6646 4.6646 4.8416 4.8416 5.6288 5.6288 5.6685 5.6685 5.6980 5.6980 5.8551 5.8551 5.9514 5.9514 6.1311 6.1311 6.3141 6.3141 6.3697 6.3697 6.7577 6.7577 11.3862 11.3862 k =-0.5000 0.3515 0.0000 ( 3770 PWs) bands (ev): -0.8363 -0.8363 -0.4575 -0.4575 0.9898 0.9898 1.2820 1.2820 1.6190 1.6190 2.0582 2.0582 2.6460 2.6460 3.3048 3.3048 3.3316 3.3316 3.9497 3.9497 4.1445 4.1445 4.3625 4.3625 4.4626 4.4626 4.6650 4.6650 4.8427 4.8427 5.6284 5.6284 5.6698 5.6698 5.6960 5.6960 5.8553 5.8553 5.9517 5.9517 6.1312 6.1312 6.3140 6.3140 6.3703 6.3703 6.7573 6.7573 11.3848 11.3848 k = 0.0000 0.0000 1.0047 ( 3804 PWs) bands (ev): -0.5828 -0.5828 -0.5074 -0.5074 1.0548 1.0548 1.4322 1.4322 1.4973 1.4973 3.9115 3.9115 3.9634 3.9634 4.0431 4.0431 4.1519 4.1519 4.2176 4.2176 4.2789 4.2789 4.6879 4.6879 4.8195 4.8195 4.9971 4.9971 5.2365 5.2365 5.3525 5.3525 5.7871 5.7871 5.7925 5.7925 5.8956 5.8956 6.5100 6.5100 6.6938 6.6938 7.8722 7.8722 9.1470 9.1470 10.2000 10.2000 10.2964 10.2964 k =-0.0161 0.0113 1.0047 ( 3802 PWs) bands (ev): -0.5829 -0.5829 -0.5075 -0.5075 1.0546 1.0546 1.4320 1.4320 1.4971 1.4971 3.9112 3.9112 3.9625 3.9625 4.0410 4.0410 4.1513 4.1513 4.2175 4.2175 4.2780 4.2780 4.6879 4.6879 4.8237 4.8237 4.9996 4.9996 5.2377 5.2377 5.3533 5.3533 5.7863 5.7863 5.7951 5.7951 5.8960 5.8960 6.5101 6.5101 6.6947 6.6947 7.8718 7.8718 9.1470 9.1470 10.1998 10.1998 10.2881 10.2881 k =-0.0323 0.0227 1.0047 ( 3806 PWs) bands (ev): -0.5832 -0.5832 -0.5077 -0.5077 1.0539 1.0539 1.4317 1.4317 1.4964 1.4964 3.9101 3.9101 3.9598 3.9598 4.0349 4.0349 4.1496 4.1496 4.2171 4.2171 4.2754 4.2754 4.6883 4.6883 4.8357 4.8357 5.0070 5.0070 5.2414 5.2414 5.3558 5.3558 5.7863 5.7863 5.8009 5.8009 5.8972 5.8972 6.5104 6.5104 6.6975 6.6975 7.8705 7.8705 9.1469 9.1469 10.1985 10.1985 10.2642 10.2642 k =-0.0484 0.0340 1.0047 ( 3802 PWs) bands (ev): -0.5836 -0.5836 -0.5080 -0.5080 1.0529 1.0529 1.4310 1.4310 1.4954 1.4954 3.9082 3.9082 3.9551 3.9551 4.0251 4.0251 4.1471 4.1471 4.2164 4.2164 4.2711 4.2711 4.6899 4.6899 4.8541 4.8541 5.0193 5.0193 5.2477 5.2477 5.3601 5.3601 5.7880 5.7880 5.8085 5.8085 5.8992 5.8992 6.5110 6.5110 6.7020 6.7020 7.8684 7.8684 9.1466 9.1466 10.1918 10.1918 10.2308 10.2308 k =-0.0645 0.0453 1.0047 ( 3798 PWs) bands (ev): -0.5842 -0.5842 -0.5083 -0.5083 1.0514 1.0514 1.4302 1.4302 1.4939 1.4939 3.9055 3.9055 3.9485 3.9485 4.0120 4.0120 4.1443 4.1443 4.2153 4.2153 4.2655 4.2655 4.6935 4.6935 4.8774 4.8774 5.0361 5.0361 5.2565 5.2565 5.3662 5.3662 5.7917 5.7917 5.8177 5.8177 5.9022 5.9022 6.5119 6.5119 6.7082 6.7082 7.8653 7.8653 9.1460 9.1460 10.1573 10.1573 10.2122 10.2122 k =-0.0806 0.0567 1.0047 ( 3798 PWs) bands (ev): -0.5850 -0.5850 -0.5088 -0.5088 1.0496 1.0496 1.4291 1.4291 1.4920 1.4920 3.9019 3.9019 3.9398 3.9398 3.9963 3.9963 4.1416 4.1416 4.2137 4.2137 4.2588 4.2588 4.6995 4.6995 4.9039 4.9039 5.0573 5.0573 5.2679 5.2679 5.3743 5.3743 5.7974 5.7974 5.8281 5.8281 5.9061 5.9061 6.5131 6.5131 6.7161 6.7161 7.8612 7.8612 9.1450 9.1450 10.0969 10.0969 10.2087 10.2087 k =-0.0968 0.0680 1.0047 ( 3798 PWs) bands (ev): -0.5860 -0.5860 -0.5094 -0.5094 1.0473 1.0473 1.4278 1.4278 1.4897 1.4897 3.8971 3.8971 3.9294 3.9294 3.9784 3.9784 4.1393 4.1393 4.2113 4.2113 4.2516 4.2516 4.7082 4.7082 4.9323 4.9323 5.0826 5.0826 5.2822 5.2822 5.3845 5.3845 5.8051 5.8051 5.8395 5.8395 5.9111 5.9111 6.5148 6.5148 6.7255 6.7255 7.8560 7.8560 9.1433 9.1433 10.0257 10.0257 10.2072 10.2072 k =-0.1129 0.0794 1.0047 ( 3800 PWs) bands (ev): -0.5871 -0.5871 -0.5101 -0.5101 1.0448 1.0448 1.4262 1.4262 1.4871 1.4871 3.8906 3.8906 3.9181 3.9181 3.9589 3.9589 4.1371 4.1371 4.2080 4.2080 4.2446 4.2446 4.7196 4.7196 4.9612 4.9612 5.1114 5.1114 5.2992 5.2992 5.3971 5.3971 5.8149 5.8149 5.8515 5.8515 5.9173 5.9173 6.5170 6.5170 6.7364 6.7364 7.8497 7.8497 9.1406 9.1406 9.9478 9.9478 10.2045 10.2045 k =-0.1290 0.0907 1.0047 ( 3800 PWs) bands (ev): -0.5883 -0.5883 -0.5109 -0.5109 1.0419 1.0419 1.4245 1.4245 1.4842 1.4842 3.8812 3.8812 3.9072 3.9072 3.9382 3.9382 4.1350 4.1350 4.2031 4.2031 4.2388 4.2388 4.7335 4.7335 4.9897 4.9897 5.1433 5.1433 5.3192 5.3192 5.4124 5.4124 5.8267 5.8267 5.8639 5.8639 5.9250 5.9250 6.5197 6.5197 6.7487 6.7487 7.8421 7.8421 9.1366 9.1366 9.8653 9.8653 10.1973 10.1973 k =-0.1452 0.1020 1.0047 ( 3808 PWs) bands (ev): -0.5897 -0.5897 -0.5118 -0.5118 1.0387 1.0387 1.4226 1.4226 1.4810 1.4810 3.8684 3.8684 3.8977 3.8977 3.9169 3.9169 4.1323 4.1323 4.1962 4.1962 4.2356 4.2356 4.7500 4.7500 5.0169 5.0169 5.1773 5.1773 5.3422 5.3422 5.4309 5.4309 5.8405 5.8405 5.8764 5.8764 5.9343 5.9343 6.5230 6.5230 6.7623 6.7623 7.8331 7.8331 9.1308 9.1308 9.7801 9.7801 10.1761 10.1761 k =-0.1613 0.1134 1.0047 ( 3798 PWs) bands (ev): -0.5912 -0.5912 -0.5127 -0.5127 1.0353 1.0353 1.4206 1.4206 1.4775 1.4775 3.8527 3.8527 3.8887 3.8887 3.8961 3.8961 4.1288 4.1288 4.1873 4.1873 4.2353 4.2353 4.7689 4.7689 5.0424 5.0424 5.2123 5.2123 5.3679 5.3679 5.4531 5.4531 5.8562 5.8562 5.8889 5.8889 5.9453 5.9453 6.5269 6.5269 6.7771 6.7771 7.8225 7.8225 9.1226 9.1226 9.6935 9.6935 10.1247 10.1247 k =-0.1774 0.1247 1.0047 ( 3794 PWs) bands (ev): -0.5928 -0.5928 -0.5136 -0.5136 1.0317 1.0317 1.4184 1.4184 1.4739 1.4739 3.8352 3.8352 3.8717 3.8717 3.8840 3.8840 4.1241 4.1241 4.1768 4.1768 4.2377 4.2377 4.7901 4.7901 5.0657 5.0657 5.2471 5.2471 5.3962 5.3962 5.4797 5.4797 5.8739 5.8739 5.9013 5.9013 5.9578 5.9578 6.5316 6.5316 6.7931 6.7931 7.8101 7.8101 9.1113 9.1113 9.6067 9.6067 10.0466 10.0466 k =-0.1935 0.1360 1.0047 ( 3790 PWs) bands (ev): -0.5944 -0.5944 -0.5147 -0.5147 1.0280 1.0280 1.4161 1.4161 1.4700 1.4700 3.8167 3.8167 3.8504 3.8504 3.8766 3.8766 4.1182 4.1182 4.1653 4.1653 4.2423 4.2423 4.8135 4.8135 5.0871 5.0871 5.2804 5.2804 5.4265 5.4265 5.5110 5.5110 5.8936 5.8936 5.9140 5.9140 5.9717 5.9717 6.5370 6.5370 6.8101 6.8101 7.7957 7.7957 9.0961 9.0961 9.5207 9.5207 9.9585 9.9585 k =-0.2097 0.1474 1.0047 ( 3794 PWs) bands (ev): -0.5961 -0.5961 -0.5157 -0.5157 1.0241 1.0241 1.4138 1.4138 1.4661 1.4661 3.7979 3.7979 3.8292 3.8292 3.8697 3.8697 4.1113 4.1113 4.1534 4.1534 4.2485 4.2485 4.8388 4.8388 5.1065 5.1065 5.3113 5.3113 5.4582 5.4582 5.5473 5.5473 5.9146 5.9146 5.9280 5.9280 5.9866 5.9866 6.5431 6.5431 6.8283 6.8283 7.7791 7.7791 9.0759 9.0759 9.4366 9.4366 9.8678 9.8678 k =-0.2258 0.1587 1.0047 ( 3790 PWs) bands (ev): -0.5979 -0.5979 -0.5168 -0.5168 1.0201 1.0201 1.4113 1.4113 1.4621 1.4621 3.7790 3.7790 3.8086 3.8086 3.8628 3.8628 4.1036 4.1036 4.1414 4.1414 4.2558 4.2558 4.8658 4.8658 5.1242 5.1242 5.3395 5.3395 5.4906 5.4906 5.5881 5.5881 5.9345 5.9345 5.9465 5.9465 6.0023 6.0023 6.5500 6.5500 6.8474 6.8474 7.7600 7.7600 9.0497 9.0497 9.3554 9.3554 9.7773 9.7773 k =-0.2419 0.1701 1.0047 ( 3790 PWs) bands (ev): -0.5997 -0.5997 -0.5179 -0.5179 1.0161 1.0161 1.4089 1.4089 1.4581 1.4581 3.7603 3.7603 3.7888 3.7888 3.8560 3.8560 4.0952 4.0952 4.1295 4.1295 4.2639 4.2639 4.8942 4.8942 5.1405 5.1405 5.3648 5.3648 5.5229 5.5229 5.6323 5.6323 5.9510 5.9510 5.9721 5.9721 6.0186 6.0186 6.5577 6.5577 6.8676 6.8676 7.7382 7.7382 9.0162 9.0162 9.2781 9.2781 9.6884 9.6884 k =-0.2581 0.1814 1.0047 ( 3790 PWs) bands (ev): -0.6015 -0.6015 -0.5190 -0.5190 1.0120 1.0120 1.4064 1.4064 1.4540 1.4540 3.7421 3.7421 3.7698 3.7698 3.8492 3.8492 4.0863 4.0863 4.1179 4.1179 4.2725 4.2725 4.9238 4.9238 5.1556 5.1556 5.3876 5.3876 5.5544 5.5544 5.6789 5.6789 5.9672 5.9672 6.0022 6.0022 6.0352 6.0352 6.5662 6.5662 6.8889 6.8889 7.7135 7.7135 8.9740 8.9740 9.2059 9.2059 9.6017 9.6017 k =-0.2742 0.1927 1.0047 ( 3794 PWs) bands (ev): -0.6033 -0.6033 -0.5201 -0.5201 1.0080 1.0080 1.4039 1.4039 1.4500 1.4500 3.7245 3.7245 3.7517 3.7517 3.8425 3.8425 4.0771 4.0771 4.1068 4.1068 4.2812 4.2812 4.9542 4.9542 5.1698 5.1698 5.4082 5.4082 5.5845 5.5845 5.7263 5.7263 5.9846 5.9846 6.0355 6.0355 6.0525 6.0525 6.5754 6.5754 6.9114 6.9114 7.6858 7.6858 8.9222 8.9222 9.1398 9.1398 9.5177 9.5177 k =-0.2903 0.2041 1.0047 ( 3786 PWs) bands (ev): -0.6051 -0.6051 -0.5212 -0.5212 1.0041 1.0041 1.4014 1.4014 1.4462 1.4462 3.7077 3.7077 3.7348 3.7348 3.8360 3.8360 4.0678 4.0678 4.0963 4.0963 4.2898 4.2898 4.9848 4.9848 5.1834 5.1834 5.4269 5.4269 5.6125 5.6125 5.7732 5.7732 6.0038 6.0038 6.0645 6.0645 6.0778 6.0778 6.5854 6.5854 6.9351 6.9351 7.6549 7.6549 8.8606 8.8606 9.0805 9.0805 9.4371 9.4371 k =-0.3065 0.2154 1.0047 ( 3792 PWs) bands (ev): -0.6068 -0.6068 -0.5222 -0.5222 1.0003 1.0003 1.3990 1.3990 1.4424 1.4424 3.6917 3.6917 3.7189 3.7189 3.8298 3.8298 4.0585 4.0585 4.0865 4.0865 4.2983 4.2983 5.0152 5.0152 5.1965 5.1965 5.4439 5.4439 5.6379 5.6379 5.8184 5.8184 6.0250 6.0250 6.0823 6.0823 6.1173 6.1173 6.5962 6.5962 6.9604 6.9604 7.6211 7.6211 8.7899 8.7899 9.0279 9.0279 9.3602 9.3602 k =-0.3226 0.2267 1.0047 ( 3796 PWs) bands (ev): -0.6085 -0.6085 -0.5232 -0.5232 0.9967 0.9967 1.3967 1.3967 1.4388 1.4388 3.6768 3.6768 3.7041 3.7041 3.8238 3.8238 4.0493 4.0493 4.0774 4.0774 4.3064 4.3064 5.0446 5.0446 5.2095 5.2095 5.4595 5.4595 5.6605 5.6605 5.8607 5.8607 6.0486 6.0486 6.0984 6.0984 6.1611 6.1611 6.6076 6.6076 6.9874 6.9874 7.5844 7.5844 8.7114 8.7114 8.9818 8.9818 9.2875 9.2875 k =-0.3387 0.2381 1.0047 ( 3794 PWs) bands (ev): -0.6100 -0.6100 -0.5241 -0.5241 0.9933 0.9933 1.3944 1.3944 1.4354 1.4354 3.6630 3.6630 3.6905 3.6905 3.8181 3.8181 4.0404 4.0404 4.0691 4.0691 4.3140 4.3140 5.0725 5.0725 5.2227 5.2227 5.4737 5.4737 5.6801 5.6801 5.8992 5.8992 6.0750 6.0750 6.1140 6.1140 6.2069 6.2069 6.6196 6.6196 7.0164 7.0164 7.5454 7.5454 8.6268 8.6268 8.9421 8.9421 9.2194 9.2194 k =-0.3548 0.2494 1.0047 ( 3786 PWs) bands (ev): -0.6115 -0.6115 -0.5250 -0.5250 0.9900 0.9900 1.3923 1.3923 1.4323 1.4323 3.6503 3.6503 3.6782 3.6782 3.8129 3.8129 4.0319 4.0319 4.0617 4.0617 4.3211 4.3211 5.0981 5.0981 5.2362 5.2362 5.4866 5.4866 5.6970 5.6970 5.9330 5.9330 6.1041 6.1041 6.1290 6.1290 6.2534 6.2534 6.6322 6.6322 7.0477 7.0477 7.5049 7.5049 8.5374 8.5374 8.9087 8.9087 9.1563 9.1563 k =-0.3710 0.2608 1.0047 ( 3790 PWs) bands (ev): -0.6129 -0.6129 -0.5258 -0.5258 0.9871 0.9871 1.3904 1.3904 1.4294 1.4294 3.6388 3.6388 3.6670 3.6670 3.8081 3.8081 4.0240 4.0240 4.0550 4.0550 4.3276 4.3276 5.1207 5.1207 5.2503 5.2503 5.4983 5.4983 5.7113 5.7113 5.9618 5.9618 6.1342 6.1342 6.1448 6.1448 6.2991 6.2991 6.6452 6.6452 7.0814 7.0814 7.4639 7.4639 8.4448 8.4448 8.8815 8.8815 9.0989 9.0989 k =-0.3871 0.2721 1.0047 ( 3782 PWs) bands (ev): -0.6141 -0.6141 -0.5266 -0.5266 0.9844 0.9844 1.3886 1.3886 1.4268 1.4268 3.6286 3.6286 3.6572 3.6572 3.8037 3.8037 4.0168 4.0168 4.0490 4.0490 4.3335 4.3335 5.1400 5.1400 5.2648 5.2648 5.5087 5.5087 5.7232 5.7232 5.9860 5.9860 6.1537 6.1537 6.1718 6.1718 6.3426 6.3426 6.6584 6.6584 7.1173 7.1173 7.4242 7.4242 8.3503 8.3503 8.8604 8.8604 9.0477 9.0477 k =-0.4032 0.2834 1.0047 ( 3778 PWs) bands (ev): -0.6152 -0.6152 -0.5272 -0.5272 0.9820 0.9820 1.3870 1.3870 1.4245 1.4245 3.6197 3.6197 3.6486 3.6486 3.7999 3.7999 4.0104 4.0104 4.0439 4.0439 4.3386 4.3386 5.1559 5.1559 5.2793 5.2793 5.5179 5.5179 5.7331 5.7331 6.0060 6.0060 6.1663 6.1663 6.2048 6.2048 6.3825 6.3825 6.6716 6.6716 7.1537 7.1537 7.3888 7.3888 8.2554 8.2554 8.8448 8.8448 9.0034 9.0034 k =-0.4194 0.2948 1.0047 ( 3772 PWs) bands (ev): -0.6162 -0.6162 -0.5278 -0.5278 0.9800 0.9800 1.3856 1.3856 1.4226 1.4226 3.6121 3.6121 3.6413 3.6413 3.7966 3.7966 4.0049 4.0049 4.0395 4.0395 4.3430 4.3430 5.1684 5.1684 5.2933 5.2933 5.5258 5.5258 5.7410 5.7410 6.0223 6.0223 6.1769 6.1769 6.2372 6.2372 6.4175 6.4175 6.6842 6.6842 7.1861 7.1861 7.3641 7.3641 8.1618 8.1618 8.8338 8.8338 8.9671 8.9671 k =-0.4355 0.3061 1.0047 ( 3776 PWs) bands (ev): -0.6170 -0.6170 -0.5283 -0.5283 0.9783 0.9783 1.3844 1.3844 1.4209 1.4209 3.6059 3.6059 3.6353 3.6353 3.7938 3.7938 4.0003 4.0003 4.0360 4.0360 4.3467 4.3467 5.1780 5.1780 5.3060 5.3060 5.5324 5.5324 5.7473 5.7473 6.0353 6.0353 6.1860 6.1860 6.2668 6.2668 6.4470 6.4470 6.6958 6.6958 7.2041 7.2041 7.3609 7.3609 8.0712 8.0712 8.8261 8.8261 8.9397 8.9397 k =-0.4516 0.3174 1.0047 ( 3780 PWs) bands (ev): -0.6176 -0.6176 -0.5287 -0.5287 0.9769 0.9769 1.3835 1.3835 1.4197 1.4197 3.6010 3.6010 3.6306 3.6306 3.7917 3.7917 3.9966 3.9966 4.0332 4.0332 4.3495 4.3495 5.1850 5.1850 5.3167 5.3167 5.5376 5.5376 5.7521 5.7521 6.0452 6.0452 6.1932 6.1932 6.2920 6.2920 6.4703 6.4703 6.7057 6.7057 7.2023 7.2023 7.3849 7.3849 7.9866 7.9866 8.8199 8.8199 8.9223 8.9223 k =-0.4677 0.3288 1.0047 ( 3788 PWs) bands (ev): -0.6181 -0.6181 -0.5289 -0.5289 0.9760 0.9760 1.3828 1.3828 1.4188 1.4188 3.5975 3.5975 3.6273 3.6273 3.7902 3.7902 3.9940 3.9940 4.0312 4.0312 4.3516 4.3516 5.1898 5.1898 5.3247 5.3247 5.5414 5.5414 5.7554 5.7554 6.0522 6.0522 6.1985 6.1985 6.3113 6.3113 6.4871 6.4871 6.7133 6.7133 7.1911 7.1911 7.4234 7.4234 7.9125 7.9125 8.8146 8.8146 8.9141 8.9141 k =-0.4839 0.3401 1.0047 ( 3776 PWs) bands (ev): -0.6183 -0.6183 -0.5291 -0.5291 0.9754 0.9754 1.3824 1.3824 1.4182 1.4182 3.5955 3.5955 3.6253 3.6253 3.7892 3.7892 3.9924 3.9924 4.0300 4.0300 4.3528 4.3528 5.1926 5.1926 5.3296 5.3296 5.5438 5.5438 5.7573 5.7573 6.0564 6.0564 6.2017 6.2017 6.3235 6.3235 6.4973 6.4973 6.7181 6.7181 7.1812 7.1812 7.4590 7.4590 7.8579 7.8579 8.8105 8.8105 8.9120 8.9120 k =-0.5000 0.3515 1.0047 ( 3776 PWs) bands (ev): -0.6184 -0.6184 -0.5291 -0.5291 0.9752 0.9752 1.3823 1.3823 1.4180 1.4180 3.5948 3.5948 3.6246 3.6246 3.7889 3.7889 3.9919 3.9919 4.0296 4.0296 4.3532 4.3532 5.1935 5.1935 5.3313 5.3313 5.5445 5.5445 5.7580 5.7580 6.0578 6.0578 6.2028 6.2028 6.3277 6.3277 6.5007 6.5007 6.7198 6.7198 7.1774 7.1774 7.4741 7.4741 7.8368 7.8368 8.8090 8.8090 8.9120 8.9120 Writing output data file HgPt3.save init_run : 0.36s CPU 0.55s WALL ( 1 calls) electrons : 245.27s CPU 249.17s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 245.26s CPU 249.16s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.10s CPU 0.15s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.04s WALL ( 400 calls) cegterg : 227.68s CPU 230.93s WALL ( 722 calls) Called by sum_band: Called by *egterg: h_psi : 130.75s CPU 133.07s WALL ( 11986 calls) s_psi : 8.80s CPU 8.74s WALL ( 11986 calls) g_psi : 0.39s CPU 0.38s WALL ( 10864 calls) cdiaghg : 75.87s CPU 76.92s WALL ( 11264 calls) cegterg:over : 9.26s CPU 9.29s WALL ( 10864 calls) cegterg:upda : 7.30s CPU 7.32s WALL ( 10864 calls) cegterg:last : 4.42s CPU 4.55s WALL ( 2215 calls) cdiaghg:chol : 4.24s CPU 4.35s WALL ( 11264 calls) cdiaghg:inve : 2.85s CPU 2.89s WALL ( 11264 calls) cdiaghg:para : 4.71s CPU 4.62s WALL ( 22528 calls) Called by h_psi: h_psi:vloc : 111.32s CPU 113.43s WALL ( 11986 calls) h_psi:vnl : 19.02s CPU 19.26s WALL ( 11986 calls) add_vuspsi : 10.04s CPU 10.00s WALL ( 11986 calls) General routines calbec : 8.94s CPU 9.23s WALL ( 11986 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 99.72s CPU 101.72s WALL ( 1344028 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.20s CPU 0.24s WALL ( 800 calls) Parallel routines fft_scatter : 39.28s CPU 39.67s WALL ( 1344051 calls) PWSCF : 4m23.00s CPU 4m39.10s WALL This run was terminated on: 19:50: 7 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=