Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:58:35 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: ./HfS3.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 38 27 8 2232 1362 215 Max 39 28 9 2242 1385 222 Sum 1379 991 295 80515 49293 7865 bravais-lattice index = 14 lattice parameter (alat) = 6.7939 a.u. unit-cell volume = 1098.6720 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 60.00 number of Kohn-Sham states= 72 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 266.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.793943 celldm(2)= 1.416416 celldm(3)= 2.494159 celldm(4)= 0.128449 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.416416 0.000000 ) a(3) = ( 0.000000 0.320373 2.473497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.706007 -0.091444 ) b(3) = ( 0.000000 0.000000 0.404286 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Hf read from file: /users/gautes/Pseudo/Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: fb4a78a955dff820df95c575f14a6778 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1271 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Hf 12.00 178.49000 Hf( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [1,0,0] -C2 -2 180 deg rotation - cart. axis [1,0,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,0,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,0,0] E Cartesian axes number of k points= 277 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 2) = ( 0.0000000 0.0000000 0.0112302), wk = 0.0036101 k( 3) = ( 0.0000000 0.0000000 0.0224603), wk = 0.0036101 k( 4) = ( 0.0000000 0.0000000 0.0336905), wk = 0.0036101 k( 5) = ( 0.0000000 0.0000000 0.0449206), wk = 0.0036101 k( 6) = ( 0.0000000 0.0000000 0.0561508), wk = 0.0036101 k( 7) = ( 0.0000000 0.0000000 0.0673810), wk = 0.0036101 k( 8) = ( 0.0000000 0.0000000 0.0786111), wk = 0.0036101 k( 9) = ( 0.0000000 0.0000000 0.0898413), wk = 0.0036101 k( 10) = ( 0.0000000 0.0000000 0.1010715), wk = 0.0036101 k( 11) = ( 0.0000000 0.0000000 0.1123016), wk = 0.0036101 k( 12) = ( 0.0000000 0.0000000 0.1235318), wk = 0.0036101 k( 13) = ( 0.0000000 0.0000000 0.1347619), wk = 0.0036101 k( 14) = ( 0.0000000 0.0000000 0.1459921), wk = 0.0036101 k( 15) = ( 0.0000000 0.0000000 0.1572223), wk = 0.0036101 k( 16) = ( 0.0000000 0.0000000 0.1684524), wk = 0.0036101 k( 17) = ( 0.0000000 0.0000000 0.1796826), wk = 0.0036101 k( 18) = ( 0.0000000 0.0000000 0.1909128), wk = 0.0036101 k( 19) = ( 0.0000000 0.0000000 0.2021429), wk = 0.0036101 k( 20) = ( 0.0000000 0.0000000 0.2021429), wk = 0.0036101 k( 21) = ( 0.0000000 0.0110914 0.2021429), wk = 0.0036101 k( 22) = ( 0.0000000 0.0221829 0.2021429), wk = 0.0036101 k( 23) = ( 0.0000000 0.0332744 0.2021429), wk = 0.0036101 k( 24) = ( 0.0000000 0.0443658 0.2021429), wk = 0.0036101 k( 25) = ( 0.0000000 0.0554573 0.2021429), wk = 0.0036101 k( 26) = ( 0.0000000 0.0665487 0.2021429), wk = 0.0036101 k( 27) = ( 0.0000000 0.0776402 0.2021429), wk = 0.0036101 k( 28) = ( 0.0000000 0.0887316 0.2021429), wk = 0.0036101 k( 29) = ( 0.0000000 0.0998231 0.2021429), wk = 0.0036101 k( 30) = ( 0.0000000 0.1109145 0.2021429), wk = 0.0036101 k( 31) = ( 0.0000000 0.1220060 0.2021429), wk = 0.0036101 k( 32) = ( 0.0000000 0.1330974 0.2021429), wk = 0.0036101 k( 33) = ( 0.0000000 0.1441889 0.2021429), wk = 0.0036101 k( 34) = ( 0.0000000 0.1552803 0.2021429), wk = 0.0036101 k( 35) = ( 0.0000000 0.1663718 0.2021429), wk = 0.0036101 k( 36) = ( 0.0000000 0.1774632 0.2021429), wk = 0.0036101 k( 37) = ( 0.0000000 0.1885547 0.2021429), wk = 0.0036101 k( 38) = ( 0.0000000 0.1996461 0.2021429), wk = 0.0036101 k( 39) = ( 0.0000000 0.2107376 0.2021429), wk = 0.0036101 k( 40) = ( 0.0000000 0.2218290 0.2021429), wk = 0.0036101 k( 41) = ( 0.0000000 0.2329205 0.2021429), wk = 0.0036101 k( 42) = ( 0.0000000 0.2440119 0.2021429), wk = 0.0036101 k( 43) = ( 0.0000000 0.2551034 0.2021429), wk = 0.0036101 k( 44) = ( 0.0000000 0.2661948 0.2021429), wk = 0.0036101 k( 45) = ( 0.0000000 0.2772863 0.2021429), wk = 0.0036101 k( 46) = ( 0.0000000 0.2883777 0.2021429), wk = 0.0036101 k( 47) = ( 0.0000000 0.2994692 0.2021429), wk = 0.0036101 k( 48) = ( 0.0000000 0.3105606 0.2021429), wk = 0.0036101 k( 49) = ( 0.0000000 0.3216521 0.2021429), wk = 0.0036101 k( 50) = ( 0.0000000 0.3327435 0.2021429), wk = 0.0036101 k( 51) = ( 0.0000000 0.3327435 0.2021429), wk = 0.0036101 k( 52) = ( 0.0000000 0.3367955 0.1929986), wk = 0.0036101 k( 53) = ( 0.0000000 0.3408475 0.1838542), wk = 0.0036101 k( 54) = ( 0.0000000 0.3448995 0.1747098), wk = 0.0036101 k( 55) = ( 0.0000000 0.3489515 0.1655654), wk = 0.0036101 k( 56) = ( 0.0000000 0.3530036 0.1564211), wk = 0.0036101 k( 57) = ( 0.0000000 0.3530036 0.1564211), wk = 0.0036101 k( 58) = ( 0.0113636 0.3530036 0.1564211), wk = 0.0036101 k( 59) = ( 0.0227273 0.3530036 0.1564211), wk = 0.0036101 k( 60) = ( 0.0340909 0.3530036 0.1564211), wk = 0.0036101 k( 61) = ( 0.0454546 0.3530036 0.1564211), wk = 0.0036101 k( 62) = ( 0.0568182 0.3530036 0.1564211), wk = 0.0036101 k( 63) = ( 0.0681818 0.3530036 0.1564211), wk = 0.0036101 k( 64) = ( 0.0795455 0.3530036 0.1564211), wk = 0.0036101 k( 65) = ( 0.0909091 0.3530036 0.1564211), wk = 0.0036101 k( 66) = ( 0.1022727 0.3530036 0.1564211), wk = 0.0036101 k( 67) = ( 0.1136364 0.3530036 0.1564211), wk = 0.0036101 k( 68) = ( 0.1250000 0.3530036 0.1564211), wk = 0.0036101 k( 69) = ( 0.1363636 0.3530036 0.1564211), wk = 0.0036101 k( 70) = ( 0.1477273 0.3530036 0.1564211), wk = 0.0036101 k( 71) = ( 0.1590909 0.3530036 0.1564211), wk = 0.0036101 k( 72) = ( 0.1704546 0.3530036 0.1564211), wk = 0.0036101 k( 73) = ( 0.1818182 0.3530036 0.1564211), wk = 0.0036101 k( 74) = ( 0.1931818 0.3530036 0.1564211), wk = 0.0036101 k( 75) = ( 0.2045454 0.3530036 0.1564211), wk = 0.0036101 k( 76) = ( 0.2159091 0.3530036 0.1564211), wk = 0.0036101 k( 77) = ( 0.2272727 0.3530036 0.1564211), wk = 0.0036101 k( 78) = ( 0.2386364 0.3530036 0.1564211), wk = 0.0036101 k( 79) = ( 0.2500000 0.3530036 0.1564211), wk = 0.0036101 k( 80) = ( 0.2613636 0.3530036 0.1564211), wk = 0.0036101 k( 81) = ( 0.2727273 0.3530036 0.1564211), wk = 0.0036101 k( 82) = ( 0.2840909 0.3530036 0.1564211), wk = 0.0036101 k( 83) = ( 0.2954545 0.3530036 0.1564211), wk = 0.0036101 k( 84) = ( 0.3068182 0.3530036 0.1564211), wk = 0.0036101 k( 85) = ( 0.3181818 0.3530036 0.1564211), wk = 0.0036101 k( 86) = ( 0.3295455 0.3530036 0.1564211), wk = 0.0036101 k( 87) = ( 0.3409091 0.3530036 0.1564211), wk = 0.0036101 k( 88) = ( 0.3522727 0.3530036 0.1564211), wk = 0.0036101 k( 89) = ( 0.3636364 0.3530036 0.1564211), wk = 0.0036101 k( 90) = ( 0.3750000 0.3530036 0.1564211), wk = 0.0036101 k( 91) = ( 0.3863636 0.3530036 0.1564211), wk = 0.0036101 k( 92) = ( 0.3977273 0.3530036 0.1564211), wk = 0.0036101 k( 93) = ( 0.4090909 0.3530036 0.1564211), wk = 0.0036101 k( 94) = ( 0.4204545 0.3530036 0.1564211), wk = 0.0036101 k( 95) = ( 0.4318182 0.3530036 0.1564211), wk = 0.0036101 k( 96) = ( 0.4431818 0.3530036 0.1564211), wk = 0.0036101 k( 97) = ( 0.4545455 0.3530036 0.1564211), wk = 0.0036101 k( 98) = ( 0.4659091 0.3530036 0.1564211), wk = 0.0036101 k( 99) = ( 0.4772727 0.3530036 0.1564211), wk = 0.0036101 k( 100) = ( 0.4886364 0.3530036 0.1564211), wk = 0.0036101 k( 101) = ( 0.5000000 0.3530036 0.1564211), wk = 0.0036101 k( 102) = ( 0.5000000 0.3530036 0.1564211), wk = 0.0036101 k( 103) = ( 0.5000000 0.3570556 0.1472767), wk = 0.0036101 k( 104) = ( 0.5000000 0.3611076 0.1381323), wk = 0.0036101 k( 105) = ( 0.5000000 0.3651596 0.1289879), wk = 0.0036101 k( 106) = ( 0.5000000 0.3692116 0.1198436), wk = 0.0036101 k( 107) = ( 0.5000000 0.3732636 0.1106992), wk = 0.0036101 k( 108) = ( 0.5000000 0.3732636 0.1106992), wk = 0.0036101 k( 109) = ( 0.5000000 0.3718164 0.0995263), wk = 0.0036101 k( 110) = ( 0.5000000 0.3703693 0.0883533), wk = 0.0036101 k( 111) = ( 0.5000000 0.3689222 0.0771804), wk = 0.0036101 k( 112) = ( 0.5000000 0.3674750 0.0660075), wk = 0.0036101 k( 113) = ( 0.5000000 0.3660279 0.0548345), wk = 0.0036101 k( 114) = ( 0.5000000 0.3645807 0.0436616), wk = 0.0036101 k( 115) = ( 0.5000000 0.3631336 0.0324887), wk = 0.0036101 k( 116) = ( 0.5000000 0.3616864 0.0213157), wk = 0.0036101 k( 117) = ( 0.5000000 0.3602393 0.0101428), wk = 0.0036101 k( 118) = ( 0.5000000 0.3587921 -0.0010301), wk = 0.0036101 k( 119) = ( 0.5000000 0.3573450 -0.0122031), wk = 0.0036101 k( 120) = ( 0.5000000 0.3558978 -0.0233760), wk = 0.0036101 k( 121) = ( 0.5000000 0.3544507 -0.0345489), wk = 0.0036101 k( 122) = ( 0.5000000 0.3530036 -0.0457219), wk = 0.0036101 k( 123) = ( 0.5000000 0.3530036 -0.0457219), wk = 0.0036101 k( 124) = ( 0.4886364 0.3530036 -0.0457219), wk = 0.0036101 k( 125) = ( 0.4772727 0.3530036 -0.0457219), wk = 0.0036101 k( 126) = ( 0.4659091 0.3530036 -0.0457219), wk = 0.0036101 k( 127) = ( 0.4545455 0.3530036 -0.0457219), wk = 0.0036101 k( 128) = ( 0.4431818 0.3530036 -0.0457219), wk = 0.0036101 k( 129) = ( 0.4318182 0.3530036 -0.0457219), wk = 0.0036101 k( 130) = ( 0.4204545 0.3530036 -0.0457219), wk = 0.0036101 k( 131) = ( 0.4090909 0.3530036 -0.0457219), wk = 0.0036101 k( 132) = ( 0.3977273 0.3530036 -0.0457219), wk = 0.0036101 k( 133) = ( 0.3863636 0.3530036 -0.0457219), wk = 0.0036101 k( 134) = ( 0.3750000 0.3530036 -0.0457219), wk = 0.0036101 k( 135) = ( 0.3636364 0.3530036 -0.0457219), wk = 0.0036101 k( 136) = ( 0.3522727 0.3530036 -0.0457219), wk = 0.0036101 k( 137) = ( 0.3409091 0.3530036 -0.0457219), wk = 0.0036101 k( 138) = ( 0.3295455 0.3530036 -0.0457219), wk = 0.0036101 k( 139) = ( 0.3181818 0.3530036 -0.0457219), wk = 0.0036101 k( 140) = ( 0.3068182 0.3530036 -0.0457219), wk = 0.0036101 k( 141) = ( 0.2954545 0.3530036 -0.0457219), wk = 0.0036101 k( 142) = ( 0.2840909 0.3530036 -0.0457219), wk = 0.0036101 k( 143) = ( 0.2727273 0.3530036 -0.0457219), wk = 0.0036101 k( 144) = ( 0.2613636 0.3530036 -0.0457219), wk = 0.0036101 k( 145) = ( 0.2500000 0.3530036 -0.0457219), wk = 0.0036101 k( 146) = ( 0.2386364 0.3530036 -0.0457219), wk = 0.0036101 k( 147) = ( 0.2272727 0.3530036 -0.0457219), wk = 0.0036101 k( 148) = ( 0.2159091 0.3530036 -0.0457219), wk = 0.0036101 k( 149) = ( 0.2045454 0.3530036 -0.0457219), wk = 0.0036101 k( 150) = ( 0.1931818 0.3530036 -0.0457219), wk = 0.0036101 k( 151) = ( 0.1818182 0.3530036 -0.0457219), wk = 0.0036101 k( 152) = ( 0.1704546 0.3530036 -0.0457219), wk = 0.0036101 k( 153) = ( 0.1590909 0.3530036 -0.0457219), wk = 0.0036101 k( 154) = ( 0.1477273 0.3530036 -0.0457219), wk = 0.0036101 k( 155) = ( 0.1363636 0.3530036 -0.0457219), wk = 0.0036101 k( 156) = ( 0.1250000 0.3530036 -0.0457219), wk = 0.0036101 k( 157) = ( 0.1136364 0.3530036 -0.0457219), wk = 0.0036101 k( 158) = ( 0.1022727 0.3530036 -0.0457219), wk = 0.0036101 k( 159) = ( 0.0909091 0.3530036 -0.0457219), wk = 0.0036101 k( 160) = ( 0.0795455 0.3530036 -0.0457219), wk = 0.0036101 k( 161) = ( 0.0681818 0.3530036 -0.0457219), wk = 0.0036101 k( 162) = ( 0.0568182 0.3530036 -0.0457219), wk = 0.0036101 k( 163) = ( 0.0454546 0.3530036 -0.0457219), wk = 0.0036101 k( 164) = ( 0.0340909 0.3530036 -0.0457219), wk = 0.0036101 k( 165) = ( 0.0227273 0.3530036 -0.0457219), wk = 0.0036101 k( 166) = ( 0.0113636 0.3530036 -0.0457219), wk = 0.0036101 k( 167) = ( 0.0000000 0.3530036 -0.0457219), wk = 0.0036101 k( 168) = ( 0.0000000 0.3530036 -0.0457219), wk = 0.0036101 k( 169) = ( 0.0000000 0.3544507 -0.0345489), wk = 0.0036101 k( 170) = ( 0.0000000 0.3558978 -0.0233760), wk = 0.0036101 k( 171) = ( 0.0000000 0.3573450 -0.0122031), wk = 0.0036101 k( 172) = ( 0.0000000 0.3587921 -0.0010301), wk = 0.0036101 k( 173) = ( 0.0000000 0.3602393 0.0101428), wk = 0.0036101 k( 174) = ( 0.0000000 0.3616864 0.0213157), wk = 0.0036101 k( 175) = ( 0.0000000 0.3631336 0.0324887), wk = 0.0036101 k( 176) = ( 0.0000000 0.3645807 0.0436616), wk = 0.0036101 k( 177) = ( 0.0000000 0.3660279 0.0548345), wk = 0.0036101 k( 178) = ( 0.0000000 0.3674750 0.0660075), wk = 0.0036101 k( 179) = ( 0.0000000 0.3689222 0.0771804), wk = 0.0036101 k( 180) = ( 0.0000000 0.3703693 0.0883533), wk = 0.0036101 k( 181) = ( 0.0000000 0.3718164 0.0995263), wk = 0.0036101 k( 182) = ( 0.0000000 0.3732636 0.1106992), wk = 0.0036101 k( 183) = ( 0.5000000 0.3327435 0.2021429), wk = 0.0036101 k( 184) = ( 0.5000000 0.3216521 0.2021429), wk = 0.0036101 k( 185) = ( 0.5000000 0.3105606 0.2021429), wk = 0.0036101 k( 186) = ( 0.5000000 0.2994692 0.2021429), wk = 0.0036101 k( 187) = ( 0.5000000 0.2883777 0.2021429), wk = 0.0036101 k( 188) = ( 0.5000000 0.2772863 0.2021429), wk = 0.0036101 k( 189) = ( 0.5000000 0.2661948 0.2021429), wk = 0.0036101 k( 190) = ( 0.5000000 0.2551034 0.2021429), wk = 0.0036101 k( 191) = ( 0.5000000 0.2440119 0.2021429), wk = 0.0036101 k( 192) = ( 0.5000000 0.2329205 0.2021429), wk = 0.0036101 k( 193) = ( 0.5000000 0.2218290 0.2021429), wk = 0.0036101 k( 194) = ( 0.5000000 0.2107376 0.2021429), wk = 0.0036101 k( 195) = ( 0.5000000 0.1996461 0.2021429), wk = 0.0036101 k( 196) = ( 0.5000000 0.1885547 0.2021429), wk = 0.0036101 k( 197) = ( 0.5000000 0.1774632 0.2021429), wk = 0.0036101 k( 198) = ( 0.5000000 0.1663718 0.2021429), wk = 0.0036101 k( 199) = ( 0.5000000 0.1552803 0.2021429), wk = 0.0036101 k( 200) = ( 0.5000000 0.1441889 0.2021429), wk = 0.0036101 k( 201) = ( 0.5000000 0.1330974 0.2021429), wk = 0.0036101 k( 202) = ( 0.5000000 0.1220060 0.2021429), wk = 0.0036101 k( 203) = ( 0.5000000 0.1109145 0.2021429), wk = 0.0036101 k( 204) = ( 0.5000000 0.0998231 0.2021429), wk = 0.0036101 k( 205) = ( 0.5000000 0.0887316 0.2021429), wk = 0.0036101 k( 206) = ( 0.5000000 0.0776402 0.2021429), wk = 0.0036101 k( 207) = ( 0.5000000 0.0665487 0.2021429), wk = 0.0036101 k( 208) = ( 0.5000000 0.0554573 0.2021429), wk = 0.0036101 k( 209) = ( 0.5000000 0.0443658 0.2021429), wk = 0.0036101 k( 210) = ( 0.5000000 0.0332744 0.2021429), wk = 0.0036101 k( 211) = ( 0.5000000 0.0221829 0.2021429), wk = 0.0036101 k( 212) = ( 0.5000000 0.0110914 0.2021429), wk = 0.0036101 k( 213) = ( 0.5000000 -0.0000000 0.2021429), wk = 0.0036101 k( 214) = ( 0.5000000 -0.0000000 0.2021429), wk = 0.0036101 k( 215) = ( 0.5000000 -0.0000000 0.1909128), wk = 0.0036101 k( 216) = ( 0.5000000 -0.0000000 0.1796826), wk = 0.0036101 k( 217) = ( 0.5000000 -0.0000000 0.1684524), wk = 0.0036101 k( 218) = ( 0.5000000 -0.0000000 0.1572223), wk = 0.0036101 k( 219) = ( 0.5000000 -0.0000000 0.1459921), wk = 0.0036101 k( 220) = ( 0.5000000 -0.0000000 0.1347619), wk = 0.0036101 k( 221) = ( 0.5000000 -0.0000000 0.1235318), wk = 0.0036101 k( 222) = ( 0.5000000 -0.0000000 0.1123016), wk = 0.0036101 k( 223) = ( 0.5000000 -0.0000000 0.1010715), wk = 0.0036101 k( 224) = ( 0.5000000 -0.0000000 0.0898413), wk = 0.0036101 k( 225) = ( 0.5000000 -0.0000000 0.0786111), wk = 0.0036101 k( 226) = ( 0.5000000 -0.0000000 0.0673810), wk = 0.0036101 k( 227) = ( 0.5000000 -0.0000000 0.0561508), wk = 0.0036101 k( 228) = ( 0.5000000 -0.0000000 0.0449206), wk = 0.0036101 k( 229) = ( 0.5000000 -0.0000000 0.0336905), wk = 0.0036101 k( 230) = ( 0.5000000 -0.0000000 0.0224603), wk = 0.0036101 k( 231) = ( 0.5000000 -0.0000000 0.0112302), wk = 0.0036101 k( 232) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0036101 k( 233) = ( 0.0000000 0.0000000 0.2021429), wk = 0.0036101 k( 234) = ( 0.0113636 -0.0000000 0.2021429), wk = 0.0036101 k( 235) = ( 0.0227273 -0.0000000 0.2021429), wk = 0.0036101 k( 236) = ( 0.0340909 -0.0000000 0.2021429), wk = 0.0036101 k( 237) = ( 0.0454546 -0.0000000 0.2021429), wk = 0.0036101 k( 238) = ( 0.0568182 -0.0000000 0.2021429), wk = 0.0036101 k( 239) = ( 0.0681818 -0.0000000 0.2021429), wk = 0.0036101 k( 240) = ( 0.0795455 -0.0000000 0.2021429), wk = 0.0036101 k( 241) = ( 0.0909091 -0.0000000 0.2021429), wk = 0.0036101 k( 242) = ( 0.1022727 -0.0000000 0.2021429), wk = 0.0036101 k( 243) = ( 0.1136364 -0.0000000 0.2021429), wk = 0.0036101 k( 244) = ( 0.1250000 -0.0000000 0.2021429), wk = 0.0036101 k( 245) = ( 0.1363636 -0.0000000 0.2021429), wk = 0.0036101 k( 246) = ( 0.1477273 -0.0000000 0.2021429), wk = 0.0036101 k( 247) = ( 0.1590909 -0.0000000 0.2021429), wk = 0.0036101 k( 248) = ( 0.1704546 -0.0000000 0.2021429), wk = 0.0036101 k( 249) = ( 0.1818182 -0.0000000 0.2021429), wk = 0.0036101 k( 250) = ( 0.1931818 -0.0000000 0.2021429), wk = 0.0036101 k( 251) = ( 0.2045454 -0.0000000 0.2021429), wk = 0.0036101 k( 252) = ( 0.2159091 -0.0000000 0.2021429), wk = 0.0036101 k( 253) = ( 0.2272727 -0.0000000 0.2021429), wk = 0.0036101 k( 254) = ( 0.2386364 -0.0000000 0.2021429), wk = 0.0036101 k( 255) = ( 0.2500000 -0.0000000 0.2021429), wk = 0.0036101 k( 256) = ( 0.2613636 -0.0000000 0.2021429), wk = 0.0036101 k( 257) = ( 0.2727273 -0.0000000 0.2021429), wk = 0.0036101 k( 258) = ( 0.2840909 -0.0000000 0.2021429), wk = 0.0036101 k( 259) = ( 0.2954545 -0.0000000 0.2021429), wk = 0.0036101 k( 260) = ( 0.3068182 -0.0000000 0.2021429), wk = 0.0036101 k( 261) = ( 0.3181818 -0.0000000 0.2021429), wk = 0.0036101 k( 262) = ( 0.3295455 -0.0000000 0.2021429), wk = 0.0036101 k( 263) = ( 0.3409091 -0.0000000 0.2021429), wk = 0.0036101 k( 264) = ( 0.3522727 -0.0000000 0.2021429), wk = 0.0036101 k( 265) = ( 0.3636364 -0.0000000 0.2021429), wk = 0.0036101 k( 266) = ( 0.3750000 -0.0000000 0.2021429), wk = 0.0036101 k( 267) = ( 0.3863636 -0.0000000 0.2021429), wk = 0.0036101 k( 268) = ( 0.3977273 -0.0000000 0.2021429), wk = 0.0036101 k( 269) = ( 0.4090909 -0.0000000 0.2021429), wk = 0.0036101 k( 270) = ( 0.4204545 -0.0000000 0.2021429), wk = 0.0036101 k( 271) = ( 0.4318182 -0.0000000 0.2021429), wk = 0.0036101 k( 272) = ( 0.4431818 -0.0000000 0.2021429), wk = 0.0036101 k( 273) = ( 0.4545455 -0.0000000 0.2021429), wk = 0.0036101 k( 274) = ( 0.4659091 -0.0000000 0.2021429), wk = 0.0036101 k( 275) = ( 0.4772727 -0.0000000 0.2021429), wk = 0.0036101 k( 276) = ( 0.4886364 -0.0000000 0.2021429), wk = 0.0036101 k( 277) = ( 0.5000000 -0.0000000 0.2021429), wk = 0.0036101 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036101 k( 2) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0036101 k( 3) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0036101 k( 4) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0036101 k( 5) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0036101 k( 6) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0036101 k( 7) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0036101 k( 8) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0036101 k( 9) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0036101 k( 10) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0036101 k( 11) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0036101 k( 12) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0036101 k( 13) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0036101 k( 14) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0036101 k( 15) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0036101 k( 16) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0036101 k( 17) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0036101 k( 18) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0036101 k( 19) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036101 k( 20) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036101 k( 21) = ( 0.0000000 0.0157101 0.5035534), wk = 0.0036101 k( 22) = ( 0.0000000 0.0314202 0.5071068), wk = 0.0036101 k( 23) = ( 0.0000000 0.0471303 0.5106602), wk = 0.0036101 k( 24) = ( 0.0000000 0.0628405 0.5142136), wk = 0.0036101 k( 25) = ( 0.0000000 0.0785506 0.5177670), wk = 0.0036101 k( 26) = ( 0.0000000 0.0942607 0.5213204), wk = 0.0036101 k( 27) = ( 0.0000000 0.1099708 0.5248738), wk = 0.0036101 k( 28) = ( 0.0000000 0.1256809 0.5284272), wk = 0.0036101 k( 29) = ( 0.0000000 0.1413910 0.5319806), wk = 0.0036101 k( 30) = ( 0.0000000 0.1571011 0.5355340), wk = 0.0036101 k( 31) = ( 0.0000000 0.1728112 0.5390875), wk = 0.0036101 k( 32) = ( 0.0000000 0.1885214 0.5426408), wk = 0.0036101 k( 33) = ( 0.0000000 0.2042315 0.5461943), wk = 0.0036101 k( 34) = ( 0.0000000 0.2199416 0.5497477), wk = 0.0036101 k( 35) = ( 0.0000000 0.2356517 0.5533011), wk = 0.0036101 k( 36) = ( 0.0000000 0.2513618 0.5568545), wk = 0.0036101 k( 37) = ( 0.0000000 0.2670719 0.5604079), wk = 0.0036101 k( 38) = ( 0.0000000 0.2827820 0.5639613), wk = 0.0036101 k( 39) = ( 0.0000000 0.2984921 0.5675147), wk = 0.0036101 k( 40) = ( 0.0000000 0.3142022 0.5710681), wk = 0.0036101 k( 41) = ( 0.0000000 0.3299124 0.5746215), wk = 0.0036101 k( 42) = ( 0.0000000 0.3456225 0.5781749), wk = 0.0036101 k( 43) = ( 0.0000000 0.3613326 0.5817283), wk = 0.0036101 k( 44) = ( 0.0000000 0.3770427 0.5852817), wk = 0.0036101 k( 45) = ( 0.0000000 0.3927528 0.5888351), wk = 0.0036101 k( 46) = ( 0.0000000 0.4084629 0.5923885), wk = 0.0036101 k( 47) = ( 0.0000000 0.4241730 0.5959419), wk = 0.0036101 k( 48) = ( 0.0000000 0.4398831 0.5994953), wk = 0.0036101 k( 49) = ( 0.0000000 0.4555933 0.6030487), wk = 0.0036101 k( 50) = ( 0.0000000 0.4713034 0.6066021), wk = 0.0036101 k( 51) = ( 0.0000000 0.4713034 0.6066021), wk = 0.0036101 k( 52) = ( 0.0000000 0.4770427 0.5852817), wk = 0.0036101 k( 53) = ( 0.0000000 0.4827820 0.5639613), wk = 0.0036101 k( 54) = ( 0.0000000 0.4885214 0.5426408), wk = 0.0036101 k( 55) = ( 0.0000000 0.4942607 0.5213204), wk = 0.0036101 k( 56) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0036101 k( 57) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0036101 k( 58) = ( 0.0113636 0.5000000 0.5000000), wk = 0.0036101 k( 59) = ( 0.0227273 0.5000000 0.5000000), wk = 0.0036101 k( 60) = ( 0.0340909 0.5000000 0.5000000), wk = 0.0036101 k( 61) = ( 0.0454546 0.5000000 0.5000000), wk = 0.0036101 k( 62) = ( 0.0568182 0.5000000 0.5000000), wk = 0.0036101 k( 63) = ( 0.0681818 0.5000000 0.5000000), wk = 0.0036101 k( 64) = ( 0.0795455 0.5000000 0.5000000), wk = 0.0036101 k( 65) = ( 0.0909091 0.5000000 0.5000000), wk = 0.0036101 k( 66) = ( 0.1022727 0.5000000 0.5000000), wk = 0.0036101 k( 67) = ( 0.1136364 0.5000000 0.5000000), wk = 0.0036101 k( 68) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0036101 k( 69) = ( 0.1363636 0.5000000 0.5000000), wk = 0.0036101 k( 70) = ( 0.1477273 0.5000000 0.5000000), wk = 0.0036101 k( 71) = ( 0.1590909 0.5000000 0.5000000), wk = 0.0036101 k( 72) = ( 0.1704546 0.5000000 0.5000000), wk = 0.0036101 k( 73) = ( 0.1818182 0.5000000 0.5000000), wk = 0.0036101 k( 74) = ( 0.1931818 0.5000000 0.5000000), wk = 0.0036101 k( 75) = ( 0.2045454 0.5000000 0.5000000), wk = 0.0036101 k( 76) = ( 0.2159091 0.5000000 0.5000000), wk = 0.0036101 k( 77) = ( 0.2272727 0.5000000 0.5000000), wk = 0.0036101 k( 78) = ( 0.2386364 0.5000000 0.5000000), wk = 0.0036101 k( 79) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0036101 k( 80) = ( 0.2613636 0.5000000 0.5000000), wk = 0.0036101 k( 81) = ( 0.2727273 0.5000000 0.5000000), wk = 0.0036101 k( 82) = ( 0.2840909 0.5000000 0.5000000), wk = 0.0036101 k( 83) = ( 0.2954545 0.5000000 0.5000000), wk = 0.0036101 k( 84) = ( 0.3068182 0.5000000 0.5000000), wk = 0.0036101 k( 85) = ( 0.3181818 0.5000000 0.5000000), wk = 0.0036101 k( 86) = ( 0.3295455 0.5000000 0.5000000), wk = 0.0036101 k( 87) = ( 0.3409091 0.5000000 0.5000000), wk = 0.0036101 k( 88) = ( 0.3522727 0.5000000 0.5000000), wk = 0.0036101 k( 89) = ( 0.3636364 0.5000000 0.5000000), wk = 0.0036101 k( 90) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0036101 k( 91) = ( 0.3863636 0.5000000 0.5000000), wk = 0.0036101 k( 92) = ( 0.3977273 0.5000000 0.5000000), wk = 0.0036101 k( 93) = ( 0.4090909 0.5000000 0.5000000), wk = 0.0036101 k( 94) = ( 0.4204545 0.5000000 0.5000000), wk = 0.0036101 k( 95) = ( 0.4318182 0.5000000 0.5000000), wk = 0.0036101 k( 96) = ( 0.4431818 0.5000000 0.5000000), wk = 0.0036101 k( 97) = ( 0.4545455 0.5000000 0.5000000), wk = 0.0036101 k( 98) = ( 0.4659091 0.5000000 0.5000000), wk = 0.0036101 k( 99) = ( 0.4772727 0.5000000 0.5000000), wk = 0.0036101 k( 100) = ( 0.4886364 0.5000000 0.5000000), wk = 0.0036101 k( 101) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036101 k( 102) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036101 k( 103) = ( 0.5000000 0.5057393 0.4786796), wk = 0.0036101 k( 104) = ( 0.5000000 0.5114787 0.4573591), wk = 0.0036101 k( 105) = ( 0.5000000 0.5172180 0.4360387), wk = 0.0036101 k( 106) = ( 0.5000000 0.5229573 0.4147183), wk = 0.0036101 k( 107) = ( 0.5000000 0.5286966 0.3933979), wk = 0.0036101 k( 108) = ( 0.5000000 0.5286966 0.3933979), wk = 0.0036101 k( 109) = ( 0.5000000 0.5266469 0.3652980), wk = 0.0036101 k( 110) = ( 0.5000000 0.5245971 0.3371982), wk = 0.0036101 k( 111) = ( 0.5000000 0.5225474 0.3090983), wk = 0.0036101 k( 112) = ( 0.5000000 0.5204976 0.2809985), wk = 0.0036101 k( 113) = ( 0.5000000 0.5184478 0.2528986), wk = 0.0036101 k( 114) = ( 0.5000000 0.5163981 0.2247988), wk = 0.0036101 k( 115) = ( 0.5000000 0.5143483 0.1966989), wk = 0.0036101 k( 116) = ( 0.5000000 0.5122986 0.1685991), wk = 0.0036101 k( 117) = ( 0.5000000 0.5102488 0.1404992), wk = 0.0036101 k( 118) = ( 0.5000000 0.5081990 0.1123994), wk = 0.0036101 k( 119) = ( 0.5000000 0.5061493 0.0842995), wk = 0.0036101 k( 120) = ( 0.5000000 0.5040995 0.0561997), wk = 0.0036101 k( 121) = ( 0.5000000 0.5020498 0.0280999), wk = 0.0036101 k( 122) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036101 k( 123) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036101 k( 124) = ( 0.4886364 0.5000000 -0.0000000), wk = 0.0036101 k( 125) = ( 0.4772727 0.5000000 -0.0000000), wk = 0.0036101 k( 126) = ( 0.4659091 0.5000000 -0.0000000), wk = 0.0036101 k( 127) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0036101 k( 128) = ( 0.4431818 0.5000000 -0.0000000), wk = 0.0036101 k( 129) = ( 0.4318182 0.5000000 0.0000000), wk = 0.0036101 k( 130) = ( 0.4204545 0.5000000 0.0000000), wk = 0.0036101 k( 131) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0036101 k( 132) = ( 0.3977273 0.5000000 -0.0000000), wk = 0.0036101 k( 133) = ( 0.3863636 0.5000000 -0.0000000), wk = 0.0036101 k( 134) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0036101 k( 135) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0036101 k( 136) = ( 0.3522727 0.5000000 -0.0000000), wk = 0.0036101 k( 137) = ( 0.3409091 0.5000000 -0.0000000), wk = 0.0036101 k( 138) = ( 0.3295455 0.5000000 -0.0000000), wk = 0.0036101 k( 139) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0036101 k( 140) = ( 0.3068182 0.5000000 -0.0000000), wk = 0.0036101 k( 141) = ( 0.2954545 0.5000000 -0.0000000), wk = 0.0036101 k( 142) = ( 0.2840909 0.5000000 -0.0000000), wk = 0.0036101 k( 143) = ( 0.2727273 0.5000000 0.0000000), wk = 0.0036101 k( 144) = ( 0.2613636 0.5000000 0.0000000), wk = 0.0036101 k( 145) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0036101 k( 146) = ( 0.2386364 0.5000000 0.0000000), wk = 0.0036101 k( 147) = ( 0.2272727 0.5000000 0.0000000), wk = 0.0036101 k( 148) = ( 0.2159091 0.5000000 0.0000000), wk = 0.0036101 k( 149) = ( 0.2045454 0.5000000 0.0000000), wk = 0.0036101 k( 150) = ( 0.1931818 0.5000000 0.0000000), wk = 0.0036101 k( 151) = ( 0.1818182 0.5000000 0.0000000), wk = 0.0036101 k( 152) = ( 0.1704546 0.5000000 0.0000000), wk = 0.0036101 k( 153) = ( 0.1590909 0.5000000 0.0000000), wk = 0.0036101 k( 154) = ( 0.1477273 0.5000000 0.0000000), wk = 0.0036101 k( 155) = ( 0.1363636 0.5000000 -0.0000000), wk = 0.0036101 k( 156) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0036101 k( 157) = ( 0.1136364 0.5000000 0.0000000), wk = 0.0036101 k( 158) = ( 0.1022727 0.5000000 0.0000000), wk = 0.0036101 k( 159) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0036101 k( 160) = ( 0.0795455 0.5000000 0.0000000), wk = 0.0036101 k( 161) = ( 0.0681818 0.5000000 0.0000000), wk = 0.0036101 k( 162) = ( 0.0568182 0.5000000 0.0000000), wk = 0.0036101 k( 163) = ( 0.0454546 0.5000000 0.0000000), wk = 0.0036101 k( 164) = ( 0.0340909 0.5000000 0.0000000), wk = 0.0036101 k( 165) = ( 0.0227273 0.5000000 0.0000000), wk = 0.0036101 k( 166) = ( 0.0113636 0.5000000 0.0000000), wk = 0.0036101 k( 167) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036101 k( 168) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036101 k( 169) = ( 0.0000000 0.5020498 0.0280999), wk = 0.0036101 k( 170) = ( 0.0000000 0.5040995 0.0561997), wk = 0.0036101 k( 171) = ( 0.0000000 0.5061493 0.0842995), wk = 0.0036101 k( 172) = ( 0.0000000 0.5081990 0.1123994), wk = 0.0036101 k( 173) = ( 0.0000000 0.5102488 0.1404992), wk = 0.0036101 k( 174) = ( 0.0000000 0.5122986 0.1685991), wk = 0.0036101 k( 175) = ( 0.0000000 0.5143483 0.1966989), wk = 0.0036101 k( 176) = ( 0.0000000 0.5163981 0.2247988), wk = 0.0036101 k( 177) = ( 0.0000000 0.5184478 0.2528986), wk = 0.0036101 k( 178) = ( 0.0000000 0.5204976 0.2809985), wk = 0.0036101 k( 179) = ( 0.0000000 0.5225474 0.3090983), wk = 0.0036101 k( 180) = ( 0.0000000 0.5245971 0.3371982), wk = 0.0036101 k( 181) = ( 0.0000000 0.5266469 0.3652980), wk = 0.0036101 k( 182) = ( 0.0000000 0.5286966 0.3933979), wk = 0.0036101 k( 183) = ( 0.5000000 0.4713034 0.6066021), wk = 0.0036101 k( 184) = ( 0.5000000 0.4555933 0.6030487), wk = 0.0036101 k( 185) = ( 0.5000000 0.4398831 0.5994953), wk = 0.0036101 k( 186) = ( 0.5000000 0.4241730 0.5959419), wk = 0.0036101 k( 187) = ( 0.5000000 0.4084629 0.5923885), wk = 0.0036101 k( 188) = ( 0.5000000 0.3927528 0.5888351), wk = 0.0036101 k( 189) = ( 0.5000000 0.3770427 0.5852817), wk = 0.0036101 k( 190) = ( 0.5000000 0.3613326 0.5817283), wk = 0.0036101 k( 191) = ( 0.5000000 0.3456225 0.5781749), wk = 0.0036101 k( 192) = ( 0.5000000 0.3299124 0.5746215), wk = 0.0036101 k( 193) = ( 0.5000000 0.3142022 0.5710681), wk = 0.0036101 k( 194) = ( 0.5000000 0.2984921 0.5675147), wk = 0.0036101 k( 195) = ( 0.5000000 0.2827820 0.5639613), wk = 0.0036101 k( 196) = ( 0.5000000 0.2670719 0.5604079), wk = 0.0036101 k( 197) = ( 0.5000000 0.2513618 0.5568545), wk = 0.0036101 k( 198) = ( 0.5000000 0.2356517 0.5533011), wk = 0.0036101 k( 199) = ( 0.5000000 0.2199416 0.5497477), wk = 0.0036101 k( 200) = ( 0.5000000 0.2042315 0.5461943), wk = 0.0036101 k( 201) = ( 0.5000000 0.1885214 0.5426408), wk = 0.0036101 k( 202) = ( 0.5000000 0.1728112 0.5390875), wk = 0.0036101 k( 203) = ( 0.5000000 0.1571011 0.5355340), wk = 0.0036101 k( 204) = ( 0.5000000 0.1413910 0.5319806), wk = 0.0036101 k( 205) = ( 0.5000000 0.1256809 0.5284272), wk = 0.0036101 k( 206) = ( 0.5000000 0.1099708 0.5248738), wk = 0.0036101 k( 207) = ( 0.5000000 0.0942607 0.5213204), wk = 0.0036101 k( 208) = ( 0.5000000 0.0785506 0.5177670), wk = 0.0036101 k( 209) = ( 0.5000000 0.0628405 0.5142136), wk = 0.0036101 k( 210) = ( 0.5000000 0.0471303 0.5106602), wk = 0.0036101 k( 211) = ( 0.5000000 0.0314202 0.5071068), wk = 0.0036101 k( 212) = ( 0.5000000 0.0157101 0.5035534), wk = 0.0036101 k( 213) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0036101 k( 214) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0036101 k( 215) = ( 0.5000000 -0.0000000 0.4722222), wk = 0.0036101 k( 216) = ( 0.5000000 -0.0000000 0.4444444), wk = 0.0036101 k( 217) = ( 0.5000000 -0.0000000 0.4166667), wk = 0.0036101 k( 218) = ( 0.5000000 -0.0000000 0.3888889), wk = 0.0036101 k( 219) = ( 0.5000000 -0.0000000 0.3611111), wk = 0.0036101 k( 220) = ( 0.5000000 -0.0000000 0.3333333), wk = 0.0036101 k( 221) = ( 0.5000000 -0.0000000 0.3055556), wk = 0.0036101 k( 222) = ( 0.5000000 -0.0000000 0.2777778), wk = 0.0036101 k( 223) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0036101 k( 224) = ( 0.5000000 -0.0000000 0.2222222), wk = 0.0036101 k( 225) = ( 0.5000000 -0.0000000 0.1944444), wk = 0.0036101 k( 226) = ( 0.5000000 -0.0000000 0.1666667), wk = 0.0036101 k( 227) = ( 0.5000000 -0.0000000 0.1388889), wk = 0.0036101 k( 228) = ( 0.5000000 -0.0000000 0.1111111), wk = 0.0036101 k( 229) = ( 0.5000000 -0.0000000 0.0833333), wk = 0.0036101 k( 230) = ( 0.5000000 -0.0000000 0.0555556), wk = 0.0036101 k( 231) = ( 0.5000000 -0.0000000 0.0277778), wk = 0.0036101 k( 232) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0036101 k( 233) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036101 k( 234) = ( 0.0113636 -0.0000000 0.5000000), wk = 0.0036101 k( 235) = ( 0.0227273 -0.0000000 0.5000000), wk = 0.0036101 k( 236) = ( 0.0340909 -0.0000000 0.5000000), wk = 0.0036101 k( 237) = ( 0.0454546 -0.0000000 0.5000000), wk = 0.0036101 k( 238) = ( 0.0568182 0.0000000 0.5000000), wk = 0.0036101 k( 239) = ( 0.0681818 -0.0000000 0.5000000), wk = 0.0036101 k( 240) = ( 0.0795455 0.0000000 0.5000000), wk = 0.0036101 k( 241) = ( 0.0909091 -0.0000000 0.5000000), wk = 0.0036101 k( 242) = ( 0.1022727 -0.0000000 0.5000000), wk = 0.0036101 k( 243) = ( 0.1136364 0.0000000 0.5000000), wk = 0.0036101 k( 244) = ( 0.1250000 -0.0000000 0.5000000), wk = 0.0036101 k( 245) = ( 0.1363636 -0.0000000 0.5000000), wk = 0.0036101 k( 246) = ( 0.1477273 -0.0000000 0.5000000), wk = 0.0036101 k( 247) = ( 0.1590909 -0.0000000 0.5000000), wk = 0.0036101 k( 248) = ( 0.1704546 -0.0000000 0.5000000), wk = 0.0036101 k( 249) = ( 0.1818182 -0.0000000 0.5000000), wk = 0.0036101 k( 250) = ( 0.1931818 -0.0000000 0.5000000), wk = 0.0036101 k( 251) = ( 0.2045454 -0.0000000 0.5000000), wk = 0.0036101 k( 252) = ( 0.2159091 -0.0000000 0.5000000), wk = 0.0036101 k( 253) = ( 0.2272727 -0.0000000 0.5000000), wk = 0.0036101 k( 254) = ( 0.2386364 -0.0000000 0.5000000), wk = 0.0036101 k( 255) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0036101 k( 256) = ( 0.2613636 -0.0000000 0.5000000), wk = 0.0036101 k( 257) = ( 0.2727273 -0.0000000 0.5000000), wk = 0.0036101 k( 258) = ( 0.2840909 -0.0000000 0.5000000), wk = 0.0036101 k( 259) = ( 0.2954545 -0.0000000 0.5000000), wk = 0.0036101 k( 260) = ( 0.3068182 -0.0000000 0.5000000), wk = 0.0036101 k( 261) = ( 0.3181818 -0.0000000 0.5000000), wk = 0.0036101 k( 262) = ( 0.3295455 -0.0000000 0.5000000), wk = 0.0036101 k( 263) = ( 0.3409091 -0.0000000 0.5000000), wk = 0.0036101 k( 264) = ( 0.3522727 -0.0000000 0.5000000), wk = 0.0036101 k( 265) = ( 0.3636364 -0.0000000 0.5000000), wk = 0.0036101 k( 266) = ( 0.3750000 -0.0000000 0.5000000), wk = 0.0036101 k( 267) = ( 0.3863636 -0.0000000 0.5000000), wk = 0.0036101 k( 268) = ( 0.3977273 -0.0000000 0.5000000), wk = 0.0036101 k( 269) = ( 0.4090909 -0.0000000 0.5000000), wk = 0.0036101 k( 270) = ( 0.4204545 -0.0000000 0.5000000), wk = 0.0036101 k( 271) = ( 0.4318182 -0.0000000 0.5000000), wk = 0.0036101 k( 272) = ( 0.4431818 0.0000000 0.5000000), wk = 0.0036101 k( 273) = ( 0.4545455 -0.0000000 0.5000000), wk = 0.0036101 k( 274) = ( 0.4659091 -0.0000000 0.5000000), wk = 0.0036101 k( 275) = ( 0.4772727 -0.0000000 0.5000000), wk = 0.0036101 k( 276) = ( 0.4886364 -0.0000000 0.5000000), wk = 0.0036101 k( 277) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0036101 Dense grid: 80515 G-vectors FFT dimensions: ( 36, 50, 90) Smooth grid: 49293 G-vectors FFT dimensions: ( 30, 45, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.38 Mb ( 346, 72) NL pseudopotentials 0.72 Mb ( 173, 272) Each V/rho on FFT grid 0.08 Mb ( 5400) Each G-vector array 0.02 Mb ( 2236) G-vector shells 0.02 Mb ( 2111) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.52 Mb ( 346, 288) Each subspace H/S matrix 0.08 Mb ( 72, 72) Each matrix 0.60 Mb ( 272, 2, 72) The potential is recalculated from file : ./HfS3.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.1 secs Computing kpt #: 2 total cpu time spent up to now is 4.3 secs Computing kpt #: 3 total cpu time spent up to now is 5.4 secs Computing kpt #: 4 total cpu time spent up to now is 6.4 secs Computing kpt #: 5 total cpu time spent up to now is 7.5 secs Computing kpt #: 6 total cpu time spent up to now is 8.6 secs Computing kpt #: 7 total cpu time spent up to now is 9.6 secs Computing kpt #: 8 total cpu time spent up to now is 10.7 secs Computing kpt #: 9 total cpu time spent up to now is 11.9 secs Computing kpt #: 10 total cpu time spent up to now is 13.1 secs Computing kpt #: 11 total cpu time spent up to now is 14.2 secs Computing kpt #: 12 total cpu time spent up to now is 15.3 secs Computing kpt #: 13 total cpu time spent up to now is 16.3 secs Computing kpt #: 14 total cpu time spent up to now is 17.3 secs Computing kpt #: 15 total cpu time spent up to now is 18.3 secs Computing kpt #: 16 total cpu time spent up to now is 19.2 secs Computing kpt #: 17 total cpu time spent up to now is 20.2 secs Computing kpt #: 18 total cpu time spent up to now is 21.2 secs Computing kpt #: 19 total cpu time spent up to now is 22.2 secs Computing kpt #: 20 total cpu time spent up to now is 23.2 secs Computing kpt #: 21 total cpu time spent up to now is 24.1 secs Computing kpt #: 22 total cpu time spent up to now is 25.1 secs Computing kpt #: 23 total cpu time spent up to now is 26.0 secs Computing kpt #: 24 total cpu time spent up to now is 27.1 secs Computing kpt #: 25 total cpu time spent up to now is 28.2 secs Computing kpt #: 26 total cpu time spent up to now is 29.3 secs Computing kpt #: 27 total cpu time spent up to now is 30.4 secs Computing kpt #: 28 total cpu time spent up to now is 31.6 secs Computing kpt #: 29 total cpu time spent up to now is 32.7 secs Computing kpt #: 30 total cpu time spent up to now is 33.9 secs Computing kpt #: 31 total cpu time spent up to now is 34.9 secs Computing kpt #: 32 total cpu time spent up to now is 35.9 secs Computing kpt #: 33 total cpu time spent up to now is 36.9 secs Computing kpt #: 34 total cpu time spent up to now is 38.0 secs Computing kpt #: 35 total cpu time spent up to now is 39.0 secs Computing kpt #: 36 total cpu time spent up to now is 40.0 secs Computing kpt #: 37 total cpu time spent up to now is 41.0 secs Computing kpt #: 38 total cpu time spent up to now is 42.4 secs Computing kpt #: 39 total cpu time spent up to now is 43.4 secs Computing kpt #: 40 total cpu time spent up to now is 44.4 secs Computing kpt #: 41 total cpu time spent up to now is 45.5 secs Computing kpt #: 42 total cpu time spent up to now is 46.5 secs Computing kpt #: 43 total cpu time spent up to now is 47.5 secs Computing kpt #: 44 total cpu time spent up to now is 48.5 secs Computing kpt #: 45 total cpu time spent up to now is 49.5 secs Computing kpt #: 46 total cpu time spent up to now is 50.5 secs Computing kpt #: 47 total cpu time spent up to now is 51.4 secs Computing kpt #: 48 total cpu time spent up to now is 52.4 secs Computing kpt #: 49 total cpu time spent up to now is 53.3 secs Computing kpt #: 50 total cpu time spent up to now is 54.3 secs Computing kpt #: 51 total cpu time spent up to now is 55.2 secs Computing kpt #: 52 total cpu time spent up to now is 56.2 secs Computing kpt #: 53 total cpu time spent up to now is 57.1 secs Computing kpt #: 54 total cpu time spent up to now is 58.0 secs Computing kpt #: 55 total cpu time spent up to now is 59.0 secs Computing kpt #: 56 total cpu time spent up to now is 59.9 secs Computing kpt #: 57 total cpu time spent up to now is 60.8 secs Computing kpt #: 58 total cpu time spent up to now is 61.8 secs Computing kpt #: 59 total cpu time spent up to now is 62.7 secs Computing kpt #: 60 total cpu time spent up to now is 63.7 secs Computing kpt #: 61 total cpu time spent up to now is 64.6 secs Computing kpt #: 62 total cpu time spent up to now is 65.6 secs Computing kpt #: 63 total cpu time spent up to now is 66.5 secs Computing kpt #: 64 total cpu time spent up to now is 67.4 secs Computing kpt #: 65 total cpu time spent up to now is 68.4 secs Computing kpt #: 66 total cpu time spent up to now is 69.3 secs Computing kpt #: 67 total cpu time spent up to now is 70.2 secs Computing kpt #: 68 total cpu time spent up to now is 71.1 secs Computing kpt #: 69 total cpu time spent up to now is 72.0 secs Computing kpt #: 70 total cpu time spent up to now is 72.9 secs Computing kpt #: 71 total cpu time spent up to now is 73.8 secs Computing kpt #: 72 total cpu time spent up to now is 74.8 secs Computing kpt #: 73 total cpu time spent up to now is 75.7 secs Computing kpt #: 74 total cpu time spent up to now is 76.6 secs Computing kpt #: 75 total cpu time spent up to now is 77.5 secs Computing kpt #: 76 total cpu time spent up to now is 78.4 secs Computing kpt #: 77 total cpu time spent up to now is 79.3 secs Computing kpt #: 78 total cpu time spent up to now is 80.2 secs Computing kpt #: 79 total cpu time spent up to now is 81.1 secs Computing kpt #: 80 total cpu time spent up to now is 82.0 secs Computing kpt #: 81 total cpu time spent up to now is 83.0 secs Computing kpt #: 82 total cpu time spent up to now is 83.9 secs Computing kpt #: 83 total cpu time spent up to now is 84.9 secs Computing kpt #: 84 total cpu time spent up to now is 85.8 secs Computing kpt #: 85 total cpu time spent up to now is 86.8 secs Computing kpt #: 86 total cpu time spent up to now is 87.8 secs Computing kpt #: 87 total cpu time spent up to now is 88.8 secs Computing kpt #: 88 total cpu time spent up to now is 89.7 secs Computing kpt #: 89 total cpu time spent up to now is 90.6 secs Computing kpt #: 90 total cpu time spent up to now is 91.6 secs Computing kpt #: 91 total cpu time spent up to now is 92.5 secs Computing kpt #: 92 total cpu time spent up to now is 93.4 secs Computing kpt #: 93 total cpu time spent up to now is 94.5 secs Computing kpt #: 94 total cpu time spent up to now is 95.4 secs Computing kpt #: 95 total cpu time spent up to now is 96.6 secs Computing kpt #: 96 total cpu time spent up to now is 97.7 secs Computing kpt #: 97 total cpu time spent up to now is 98.7 secs Computing kpt #: 98 total cpu time spent up to now is 99.8 secs Computing kpt #: 99 total cpu time spent up to now is 101.0 secs Computing kpt #: 100 total cpu time spent up to now is 102.1 secs Computing kpt #: 101 total cpu time spent up to now is 103.3 secs Computing kpt #: 102 total cpu time spent up to now is 104.6 secs Computing kpt #: 103 total cpu time spent up to now is 105.9 secs Computing kpt #: 104 total cpu time spent up to now is 107.1 secs Computing kpt #: 105 total cpu time spent up to now is 108.4 secs Computing kpt #: 106 total cpu time spent up to now is 109.7 secs Computing kpt #: 107 total cpu time spent up to now is 111.0 secs Computing kpt #: 108 total cpu time spent up to now is 112.3 secs Computing kpt #: 109 total cpu time spent up to now is 113.6 secs Computing kpt #: 110 total cpu time spent up to now is 114.9 secs Computing kpt #: 111 total cpu time spent up to now is 116.2 secs Computing kpt #: 112 total cpu time spent up to now is 117.5 secs Computing kpt #: 113 total cpu time spent up to now is 118.8 secs Computing kpt #: 114 total cpu time spent up to now is 120.1 secs Computing kpt #: 115 total cpu time spent up to now is 121.4 secs Computing kpt #: 116 total cpu time spent up to now is 122.7 secs Computing kpt #: 117 total cpu time spent up to now is 124.1 secs Computing kpt #: 118 total cpu time spent up to now is 125.4 secs Computing kpt #: 119 total cpu time spent up to now is 126.6 secs Computing kpt #: 120 total cpu time spent up to now is 127.9 secs Computing kpt #: 121 total cpu time spent up to now is 129.0 secs Computing kpt #: 122 total cpu time spent up to now is 130.2 secs Computing kpt #: 123 total cpu time spent up to now is 131.3 secs Computing kpt #: 124 total cpu time spent up to now is 132.3 secs Computing kpt #: 125 total cpu time spent up to now is 133.4 secs Computing kpt #: 126 total cpu time spent up to now is 134.7 secs Computing kpt #: 127 total cpu time spent up to now is 135.7 secs Computing kpt #: 128 total cpu time spent up to now is 136.8 secs Computing kpt #: 129 total cpu time spent up to now is 137.9 secs Computing kpt #: 130 total cpu time spent up to now is 139.0 secs Computing kpt #: 131 total cpu time spent up to now is 139.9 secs Computing kpt #: 132 total cpu time spent up to now is 140.8 secs Computing kpt #: 133 total cpu time spent up to now is 141.8 secs Computing kpt #: 134 total cpu time spent up to now is 142.7 secs Computing kpt #: 135 total cpu time spent up to now is 143.7 secs Computing kpt #: 136 total cpu time spent up to now is 144.7 secs Computing kpt #: 137 total cpu time spent up to now is 145.6 secs Computing kpt #: 138 total cpu time spent up to now is 146.6 secs Computing kpt #: 139 total cpu time spent up to now is 147.6 secs Computing kpt #: 140 total cpu time spent up to now is 148.5 secs Computing kpt #: 141 total cpu time spent up to now is 149.5 secs Computing kpt #: 142 total cpu time spent up to now is 150.5 secs Computing kpt #: 143 total cpu time spent up to now is 151.4 secs Computing kpt #: 144 total cpu time spent up to now is 152.4 secs Computing kpt #: 145 total cpu time spent up to now is 153.3 secs Computing kpt #: 146 total cpu time spent up to now is 154.3 secs Computing kpt #: 147 total cpu time spent up to now is 155.3 secs Computing kpt #: 148 total cpu time spent up to now is 156.2 secs Computing kpt #: 149 total cpu time spent up to now is 157.2 secs Computing kpt #: 150 total cpu time spent up to now is 158.2 secs Computing kpt #: 151 total cpu time spent up to now is 159.1 secs Computing kpt #: 152 total cpu time spent up to now is 160.1 secs Computing kpt #: 153 total cpu time spent up to now is 161.0 secs Computing kpt #: 154 total cpu time spent up to now is 162.0 secs Computing kpt #: 155 total cpu time spent up to now is 163.0 secs Computing kpt #: 156 total cpu time spent up to now is 163.9 secs Computing kpt #: 157 total cpu time spent up to now is 164.9 secs Computing kpt #: 158 total cpu time spent up to now is 165.9 secs Computing kpt #: 159 total cpu time spent up to now is 166.9 secs Computing kpt #: 160 total cpu time spent up to now is 167.8 secs Computing kpt #: 161 total cpu time spent up to now is 168.8 secs Computing kpt #: 162 total cpu time spent up to now is 169.7 secs Computing kpt #: 163 total cpu time spent up to now is 170.6 secs Computing kpt #: 164 total cpu time spent up to now is 171.6 secs Computing kpt #: 165 total cpu time spent up to now is 172.5 secs Computing kpt #: 166 total cpu time spent up to now is 173.4 secs Computing kpt #: 167 total cpu time spent up to now is 174.3 secs Computing kpt #: 168 total cpu time spent up to now is 175.3 secs Computing kpt #: 169 total cpu time spent up to now is 176.2 secs Computing kpt #: 170 total cpu time spent up to now is 177.1 secs Computing kpt #: 171 total cpu time spent up to now is 178.0 secs Computing kpt #: 172 total cpu time spent up to now is 178.9 secs Computing kpt #: 173 total cpu time spent up to now is 179.8 secs Computing kpt #: 174 total cpu time spent up to now is 180.7 secs Computing kpt #: 175 total cpu time spent up to now is 181.7 secs Computing kpt #: 176 total cpu time spent up to now is 182.6 secs Computing kpt #: 177 total cpu time spent up to now is 183.5 secs Computing kpt #: 178 total cpu time spent up to now is 184.5 secs Computing kpt #: 179 total cpu time spent up to now is 185.5 secs Computing kpt #: 180 total cpu time spent up to now is 186.4 secs Computing kpt #: 181 total cpu time spent up to now is 187.3 secs Computing kpt #: 182 total cpu time spent up to now is 188.3 secs Computing kpt #: 183 total cpu time spent up to now is 189.6 secs Computing kpt #: 184 total cpu time spent up to now is 190.8 secs Computing kpt #: 185 total cpu time spent up to now is 192.4 secs Computing kpt #: 186 total cpu time spent up to now is 193.9 secs Computing kpt #: 187 total cpu time spent up to now is 195.3 secs Computing kpt #: 188 total cpu time spent up to now is 196.6 secs Computing kpt #: 189 total cpu time spent up to now is 197.9 secs Computing kpt #: 190 total cpu time spent up to now is 199.2 secs Computing kpt #: 191 total cpu time spent up to now is 200.6 secs Computing kpt #: 192 total cpu time spent up to now is 201.9 secs Computing kpt #: 193 total cpu time spent up to now is 203.1 secs Computing kpt #: 194 total cpu time spent up to now is 204.4 secs Computing kpt #: 195 total cpu time spent up to now is 205.7 secs Computing kpt #: 196 total cpu time spent up to now is 207.0 secs Computing kpt #: 197 total cpu time spent up to now is 208.4 secs Computing kpt #: 198 total cpu time spent up to now is 209.7 secs Computing kpt #: 199 total cpu time spent up to now is 211.0 secs Computing kpt #: 200 total cpu time spent up to now is 212.3 secs Computing kpt #: 201 total cpu time spent up to now is 213.5 secs Computing kpt #: 202 total cpu time spent up to now is 214.6 secs Computing kpt #: 203 total cpu time spent up to now is 215.8 secs Computing kpt #: 204 total cpu time spent up to now is 216.9 secs Computing kpt #: 205 total cpu time spent up to now is 218.0 secs Computing kpt #: 206 total cpu time spent up to now is 219.2 secs Computing kpt #: 207 total cpu time spent up to now is 220.4 secs Computing kpt #: 208 total cpu time spent up to now is 221.7 secs Computing kpt #: 209 total cpu time spent up to now is 223.0 secs Computing kpt #: 210 total cpu time spent up to now is 224.4 secs Computing kpt #: 211 total cpu time spent up to now is 225.5 secs Computing kpt #: 212 total cpu time spent up to now is 226.8 secs Computing kpt #: 213 total cpu time spent up to now is 228.0 secs Computing kpt #: 214 total cpu time spent up to now is 229.3 secs Computing kpt #: 215 total cpu time spent up to now is 230.6 secs Computing kpt #: 216 total cpu time spent up to now is 231.9 secs Computing kpt #: 217 total cpu time spent up to now is 233.2 secs Computing kpt #: 218 total cpu time spent up to now is 234.5 secs Computing kpt #: 219 total cpu time spent up to now is 235.8 secs Computing kpt #: 220 total cpu time spent up to now is 237.1 secs Computing kpt #: 221 total cpu time spent up to now is 238.4 secs Computing kpt #: 222 total cpu time spent up to now is 239.7 secs Computing kpt #: 223 total cpu time spent up to now is 241.0 secs Computing kpt #: 224 total cpu time spent up to now is 242.3 secs Computing kpt #: 225 total cpu time spent up to now is 243.4 secs Computing kpt #: 226 total cpu time spent up to now is 244.4 secs Computing kpt #: 227 total cpu time spent up to now is 245.5 secs Computing kpt #: 228 total cpu time spent up to now is 246.6 secs Computing kpt #: 229 total cpu time spent up to now is 247.7 secs Computing kpt #: 230 total cpu time spent up to now is 248.8 secs Computing kpt #: 231 total cpu time spent up to now is 249.8 secs Computing kpt #: 232 total cpu time spent up to now is 250.9 secs Computing kpt #: 233 total cpu time spent up to now is 251.9 secs Computing kpt #: 234 total cpu time spent up to now is 252.8 secs Computing kpt #: 235 total cpu time spent up to now is 253.9 secs Computing kpt #: 236 total cpu time spent up to now is 254.9 secs Computing kpt #: 237 total cpu time spent up to now is 255.8 secs Computing kpt #: 238 total cpu time spent up to now is 256.8 secs Computing kpt #: 239 total cpu time spent up to now is 257.7 secs Computing kpt #: 240 total cpu time spent up to now is 258.7 secs Computing kpt #: 241 total cpu time spent up to now is 259.7 secs Computing kpt #: 242 total cpu time spent up to now is 260.6 secs Computing kpt #: 243 total cpu time spent up to now is 261.6 secs Computing kpt #: 244 total cpu time spent up to now is 262.6 secs Computing kpt #: 245 total cpu time spent up to now is 263.7 secs Computing kpt #: 246 total cpu time spent up to now is 264.6 secs Computing kpt #: 247 total cpu time spent up to now is 265.6 secs Computing kpt #: 248 total cpu time spent up to now is 266.5 secs Computing kpt #: 249 total cpu time spent up to now is 267.4 secs Computing kpt #: 250 total cpu time spent up to now is 268.4 secs Computing kpt #: 251 total cpu time spent up to now is 269.3 secs Computing kpt #: 252 total cpu time spent up to now is 270.2 secs Computing kpt #: 253 total cpu time spent up to now is 271.2 secs Computing kpt #: 254 total cpu time spent up to now is 272.1 secs Computing kpt #: 255 total cpu time spent up to now is 273.1 secs Computing kpt #: 256 total cpu time spent up to now is 274.0 secs Computing kpt #: 257 total cpu time spent up to now is 274.9 secs Computing kpt #: 258 total cpu time spent up to now is 275.9 secs Computing kpt #: 259 total cpu time spent up to now is 276.8 secs Computing kpt #: 260 total cpu time spent up to now is 277.8 secs Computing kpt #: 261 total cpu time spent up to now is 278.7 secs Computing kpt #: 262 total cpu time spent up to now is 279.6 secs Computing kpt #: 263 total cpu time spent up to now is 280.6 secs Computing kpt #: 264 total cpu time spent up to now is 281.5 secs Computing kpt #: 265 total cpu time spent up to now is 282.4 secs Computing kpt #: 266 total cpu time spent up to now is 283.4 secs Computing kpt #: 267 total cpu time spent up to now is 284.5 secs Computing kpt #: 268 total cpu time spent up to now is 285.6 secs Computing kpt #: 269 total cpu time spent up to now is 286.8 secs Computing kpt #: 270 total cpu time spent up to now is 288.0 secs Computing kpt #: 271 total cpu time spent up to now is 289.2 secs Computing kpt #: 272 total cpu time spent up to now is 290.5 secs Computing kpt #: 273 total cpu time spent up to now is 291.8 secs Computing kpt #: 274 total cpu time spent up to now is 293.4 secs Computing kpt #: 275 total cpu time spent up to now is 294.9 secs Computing kpt #: 276 total cpu time spent up to now is 296.2 secs Computing kpt #: 277 total cpu time spent up to now is 297.5 secs ethr = 1.67E-08, avg # of iterations = 23.1 total cpu time spent up to now is 297.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6171 PWs) bands (ev): -53.8908 -53.8908 -53.8888 -53.8888 -28.2051 -28.2051 -28.1919 -28.1919 -20.5514 -20.5514 -20.4908 -20.4908 -20.4532 -20.4532 -20.4406 -20.4406 -6.7752 -6.7752 -6.0451 -6.0451 -5.0813 -5.0813 -3.7014 -3.7014 -2.8992 -2.8992 -1.7277 -1.7277 2.3325 2.3325 2.4862 2.4862 3.2299 3.2299 3.2600 3.2600 3.8691 3.8691 4.4510 4.4510 4.6019 4.6019 4.9599 4.9599 5.7326 5.7326 6.3080 6.3080 6.8558 6.8558 7.2405 7.2405 7.3307 7.3307 7.5228 7.5228 8.2939 8.2939 8.9966 8.9966 9.2884 9.2884 9.6411 9.6411 10.5763 10.5763 10.7127 10.7127 11.3183 11.3183 11.7059 11.7059 k = 0.0000 0.0000 0.0112 ( 6178 PWs) bands (ev): -53.8908 -53.8908 -53.8888 -53.8888 -28.2051 -28.2051 -28.1919 -28.1919 -20.5514 -20.5514 -20.4908 -20.4908 -20.4533 -20.4533 -20.4406 -20.4406 -6.7746 -6.7746 -6.0468 -6.0468 -5.0799 -5.0799 -3.7015 -3.7015 -2.8992 -2.8992 -1.7279 -1.7279 2.3310 2.3310 2.4890 2.4890 3.2286 3.2286 3.2524 3.2524 3.8773 3.8773 4.4516 4.4516 4.6049 4.6049 4.9581 4.9581 5.7346 5.7346 6.3057 6.3057 6.8520 6.8520 7.2410 7.2410 7.3309 7.3309 7.5226 7.5226 8.2951 8.2951 8.9943 8.9943 9.2861 9.2861 9.6427 9.6427 10.5796 10.5796 10.7123 10.7123 11.3172 11.3172 11.7050 11.7050 k = 0.0000 0.0000 0.0225 ( 6176 PWs) bands (ev): -53.8908 -53.8908 -53.8888 -53.8888 -28.2051 -28.2051 -28.1919 -28.1919 -20.5514 -20.5514 -20.4908 -20.4908 -20.4533 -20.4533 -20.4406 -20.4406 -6.7726 -6.7726 -6.0520 -6.0520 -5.0759 -5.0759 -3.7018 -3.7018 -2.8991 -2.8991 -1.7287 -1.7287 2.3270 2.3270 2.4969 2.4969 3.2187 3.2187 3.2375 3.2375 3.9003 3.9003 4.4535 4.4535 4.6141 4.6141 4.9526 4.9526 5.7403 5.7403 6.2987 6.2987 6.8408 6.8408 7.2421 7.2421 7.3316 7.3316 7.5219 7.5219 8.2990 8.2990 8.9875 8.9875 9.2792 9.2792 9.6474 9.6474 10.5894 10.5894 10.7113 10.7113 11.3139 11.3139 11.7027 11.7027 k = 0.0000 0.0000 0.0337 ( 6177 PWs) bands (ev): -53.8908 -53.8908 -53.8888 -53.8888 -28.2051 -28.2051 -28.1919 -28.1919 -20.5514 -20.5514 -20.4908 -20.4908 -20.4533 -20.4533 -20.4406 -20.4406 -6.7693 -6.7693 -6.0603 -6.0603 -5.0693 -5.0693 -3.7023 -3.7023 -2.8991 -2.8991 -1.7299 -1.7299 2.3213 2.3213 2.5088 2.5088 3.1872 3.1872 3.2320 3.2320 3.9338 3.9338 4.4566 4.4566 4.6299 4.6299 4.9437 4.9437 5.7495 5.7495 6.2875 6.2875 6.8223 6.8223 7.2435 7.2435 7.3326 7.3326 7.5208 7.5208 8.3055 8.3055 8.9764 8.9764 9.2680 9.2680 9.6550 9.6550 10.6053 10.6053 10.7099 10.7099 11.3079 11.3079 11.6997 11.6997 k = 0.0000 0.0000 0.0449 ( 6170 PWs) bands (ev): -53.8908 -53.8908 -53.8888 -53.8888 -28.2051 -28.2051 -28.1918 -28.1918 -20.5514 -20.5514 -20.4908 -20.4908 -20.4533 -20.4533 -20.4406 -20.4406 -6.7647 -6.7647 -6.0717 -6.0717 -5.0604 -5.0604 -3.7030 -3.7030 -2.8990 -2.8990 -1.7316 -1.7316 2.3151 2.3151 2.5234 2.5234 3.1449 3.1449 3.2292 3.2292 3.9729 3.9729 4.4610 4.4610 4.6531 4.6531 4.9318 4.9318 5.7619 5.7619 6.2723 6.2723 6.7971 6.7971 7.2448 7.2448 7.3338 7.3338 7.5193 7.5193 8.3151 8.3151 8.9617 8.9617 9.2531 9.2531 9.6651 9.6651 10.6268 10.6268 10.7085 10.7085 11.2990 11.2990 11.6967 11.6967 k = 0.0000 0.0000 0.0562 ( 6168 PWs) bands (ev): -53.8908 -53.8908 -53.8888 -53.8888 -28.2051 -28.2051 -28.1918 -28.1918 -20.5514 -20.5514 -20.4908 -20.4908 -20.4533 -20.4533 -20.4406 -20.4406 -6.7590 -6.7590 -6.0856 -6.0856 -5.0497 -5.0497 -3.7038 -3.7038 -2.8988 -2.8988 -1.7337 -1.7337 2.3093 2.3093 2.5394 2.5394 3.0982 3.0982 3.2263 3.2263 4.0134 4.0134 4.4666 4.4666 4.6846 4.6846 4.9172 4.9172 5.7768 5.7768 6.2539 6.2539 6.7654 6.7654 7.2454 7.2454 7.3350 7.3350 7.5173 7.5173 8.3277 8.3277 8.9439 8.9439 9.2348 9.2348 9.6770 9.6770 10.6530 10.6530 10.7075 10.7075 11.2867 11.2867 11.6941 11.6941 k = 0.0000 0.0000 0.0674 ( 6165 PWs) bands (ev): -53.8908 -53.8908 -53.8888 -53.8888 -28.2051 -28.2051 -28.1918 -28.1918 -20.5514 -20.5514 -20.4908 -20.4908 -20.4533 -20.4533 -20.4405 -20.4405 -6.7521 -6.7521 -6.1017 -6.1017 -5.0376 -5.0376 -3.7048 -3.7048 -2.8987 -2.8987 -1.7361 -1.7361 2.3045 2.3045 2.5557 2.5557 3.0503 3.0503 3.2231 3.2231 4.0520 4.0520 4.4735 4.4735 4.7249 4.7249 4.9005 4.9005 5.7938 5.7938 6.2328 6.2328 6.7275 6.7275 7.2453 7.2453 7.3360 7.3360 7.5150 7.5150 8.3437 8.3437 8.9239 8.9239 9.2136 9.2136 9.6905 9.6905 10.6828 10.6828 10.7080 10.7080 11.2710 11.2710 11.6918 11.6918 k = 0.0000 0.0000 0.0786 ( 6173 PWs) bands (ev): -53.8908 -53.8908 -53.8888 -53.8888 -28.2051 -28.2051 -28.1918 -28.1918 -20.5514 -20.5514 -20.4908 -20.4908 -20.4533 -20.4533 -20.4405 -20.4405 -6.7442 -6.7442 -6.1195 -6.1195 -5.0244 -5.0244 -3.7059 -3.7059 -2.8986 -2.8986 -1.7387 -1.7387 2.3012 2.3012 2.5710 2.5710 3.0037 3.0037 3.2193 3.2193 4.0867 4.0867 4.4815 4.4815 4.7741 4.7741 4.8824 4.8824 5.8122 5.8122 6.2098 6.2098 6.6836 6.6836 7.2444 7.2444 7.3365 7.3365 7.5123 7.5123 8.3629 8.3629 8.9023 8.9023 9.1900 9.1900 9.7050 9.7050 10.7055 10.7055 10.7200 10.7200 11.2520 11.2520 11.6894 11.6894 k = 0.0000 0.0000 0.0898 ( 6176 PWs) bands (ev): -53.8908 -53.8908 -53.8888 -53.8888 -28.2051 -28.2051 -28.1918 -28.1918 -20.5514 -20.5514 -20.4908 -20.4908 -20.4533 -20.4533 -20.4406 -20.4406 -6.7354 -6.7354 -6.1386 -6.1386 -5.0106 -5.0106 -3.7071 -3.7071 -2.8984 -2.8984 -1.7416 -1.7416 2.2997 2.2997 2.5837 2.5837 2.9605 2.9605 3.2150 3.2150 4.1163 4.1163 4.4906 4.4906 4.8290 4.8290 4.8662 4.8662 5.8314 5.8314 6.1855 6.1855 6.6339 6.6339 7.2428 7.2428 7.3365 7.3365 7.5093 7.5093 8.3853 8.3853 8.8800 8.8800 9.1643 9.1643 9.7201 9.7201 10.7100 10.7100 10.7543 10.7543 11.2299 11.2299 11.6862 11.6862 k = 0.0000 0.0000 0.1011 ( 6178 PWs) bands (ev): -53.8908 -53.8908 -53.8888 -53.8888 -28.2051 -28.2051 -28.1919 -28.1919 -20.5514 -20.5514 -20.4908 -20.4908 -20.4533 -20.4533 -20.4406 -20.4406 -6.7258 -6.7258 -6.1584 -6.1584 -4.9967 -4.9967 -3.7083 -3.7083 -2.8983 -2.8983 -1.7445 -1.7445 2.3004 2.3004 2.5920 2.5920 2.9229 2.9229 3.2102 3.2102 4.1406 4.1406 4.5009 4.5009 4.8366 4.8366 4.9045 4.9045 5.8510 5.8510 6.1606 6.1606 6.5788 6.5788 7.2407 7.2407 7.3360 7.3360 7.5061 7.5061 8.4105 8.4105 8.8577 8.8577 9.1370 9.1370 9.7354 9.7354 10.7150 10.7150 10.7912 10.7912 11.2051 11.2051 11.6816 11.6816 k = 0.0000 0.0000 0.1123 ( 6186 PWs) bands (ev): -53.8908 -53.8908 -53.8888 -53.8888 -28.2052 -28.2052 -28.1919 -28.1919 -20.5514 -20.5514 -20.4909 -20.4909 -20.4533 -20.4533 -20.4406 -20.4406 -6.7157 -6.7157 -6.1786 -6.1786 -4.9830 -4.9830 -3.7096 -3.7096 -2.8981 -2.8981 -1.7475 -1.7475 2.3033 2.3033 2.5938 2.5938 2.8932 2.8932 3.2049 3.2049 4.1600 4.1600 4.5123 4.5123 4.8163 4.8163 4.9766 4.9766 5.8702 5.8702 6.1358 6.1358 6.5187 6.5187 7.2382 7.2382 7.3351 7.3351 7.5028 7.5028 8.4380 8.4380 8.8360 8.8360 9.1083 9.1083 9.7504 9.7504 10.7222 10.7222 10.8286 10.8286 11.1784 11.1784 11.6754 11.6754 k = 0.0000 0.0000 0.1235 ( 6182 PWs) bands (ev): -53.8908 -53.8908 -53.8888 -53.8888 -28.2052 -28.2052 -28.1919 -28.1919 -20.5514 -20.5514 -20.4908 -20.4908 -20.4533 -20.4533 -20.4406 -20.4406 -6.7052 -6.7052 -6.1984 -6.1984 -4.9700 -4.9700 -3.7108 -3.7108 -2.8979 -2.8979 -1.7503 -1.7503 2.3087 2.3087 2.5876 2.5876 2.8729 2.8729 3.1993 3.1993 4.1752 4.1752 4.5248 4.5248 4.7944 4.7944 5.0553 5.0553 5.8886 5.8886 6.1115 6.1115 6.4545 6.4545 7.2356 7.2356 7.3340 7.3340 7.4994 7.4994 8.4673 8.4673 8.8158 8.8158 9.0787 9.0787 9.7648 9.7648 10.7317 10.7317 10.8652 10.8652 11.1502 11.1502 11.6674 11.6674 k = 0.0000 0.0000 0.1348 ( 6187 PWs) bands (ev): -53.8908 -53.8908 -53.8888 -53.8888 -28.2052 -28.2052 -28.1919 -28.1919 -20.5514 -20.5514 -20.4909 -20.4909 -20.4533 -20.4533 -20.4406 -20.4406 -6.6947 -6.6947 -6.2175 -6.2175 -4.9580 -4.9580 -3.7120 -3.7120 -2.8978 -2.8978 -1.7530 -1.7530 2.3166 2.3166 2.5731 2.5731 2.8621 2.8621 3.1935 3.1935 4.1869 4.1869 4.5384 4.5384 4.7721 4.7721 5.1376 5.1376 5.9057 5.9057 6.0879 6.0879 6.3874 6.3874 7.2330 7.2330 7.3326 7.3326 7.4961 7.4961 8.4975 8.4975 8.7975 8.7975 9.0486 9.0486 9.7783 9.7783 10.7436 10.7436 10.8997 10.8997 11.1215 11.1215 11.6580 11.6580 k = 0.0000 0.0000 0.1460 ( 6182 PWs) bands (ev): -53.8908 -53.8908 -53.8888 -53.8888 -28.2052 -28.2052 -28.1919 -28.1919 -20.5514 -20.5514 -20.4909 -20.4909 -20.4533 -20.4533 -20.4406 -20.4406 -6.6847 -6.6847 -6.2352 -6.2352 -4.9473 -4.9473 -3.7130 -3.7130 -2.8977 -2.8977 -1.7555 -1.7555 2.3270 2.3270 2.5520 2.5520 2.8590 2.8590 3.1878 3.1878 4.1958 4.1958 4.5530 4.5530 4.7498 4.7498 5.2216 5.2216 5.9209 5.9209 6.0651 6.0651 6.3192 6.3192 7.2306 7.2306 7.3313 7.3313 7.4930 7.4930 8.5276 8.5276 8.7817 8.7817 9.0186 9.0186 9.7903 9.7903 10.7577 10.7577 10.9305 10.9305 11.0936 11.0936 11.6477 11.6477 k = 0.0000 0.0000 0.1572 ( 6175 PWs) bands (ev): -53.8908 -53.8908 -53.8888 -53.8888 -28.2051 -28.2051 -28.1919 -28.1919 -20.5513 -20.5513 -20.4909 -20.4909 -20.4533 -20.4533 -20.4406 -20.4406 -6.6754 -6.6754 -6.2510 -6.2510 -4.9382 -4.9382 -3.7139 -3.7139 -2.8976 -2.8976 -1.7576 -1.7576 2.3401 2.3401 2.5266 2.5266 2.8608 2.8608 3.1823 3.1823 4.2023 4.2023 4.5685 4.5685 4.7277 4.7277 5.3048 5.3048 5.9337 5.9337 6.0424 6.0424 6.2531 6.2531 7.2285 7.2285 7.3301 7.3301 7.4903 7.4903 8.5565 8.5565 8.7690 8.7690 8.9896 8.9896 9.8006 9.8006 10.7738 10.7738 10.9550 10.9550 11.0687 11.0687 11.6373 11.6373 k = 0.0000 0.0000 0.1685 ( 6177 PWs) bands (ev): -53.8908 -53.8908 -53.8888 -53.8888 -28.2051 -28.2051 -28.1919 -28.1919 -20.5513 -20.5513 -20.4909 -20.4909 -20.4533 -20.4533 -20.4406 -20.4406 -6.6674 -6.6674 -6.2641 -6.2641 -4.9309 -4.9309 -3.7147 -3.7147 -2.8975 -2.8975 -1.7593 -1.7593 2.3558 2.3558 2.4994 2.4994 2.8648 2.8648 3.1775 3.1775 4.2070 4.2070 4.5849 4.5849 4.7061 4.7061 5.3839 5.3839 5.9432 5.9432 6.0187 6.0187 6.1939 6.1939 7.2267 7.2267 7.3291 7.3291 7.4880 7.4880 8.5825 8.5825 8.7598 8.7598 8.9628 8.9628 9.8090 9.8090 10.7910 10.7910 10.9686 10.9686 11.0515 11.0515 11.6277 11.6277 k = 0.0000 0.0000 0.1797 ( 6167 PWs) bands (ev): -53.8908 -53.8908 -53.8888 -53.8888 -28.2051 -28.2051 -28.1918 -28.1918 -20.5513 -20.5513 -20.4908 -20.4908 -20.4533 -20.4533 -20.4405 -20.4405 -6.6612 -6.6612 -6.2741 -6.2741 -4.9255 -4.9255 -3.7153 -3.7153 -2.8974 -2.8974 -1.7605 -1.7605 2.3739 2.3739 2.4720 2.4720 2.8691 2.8691 3.1737 3.1737 4.2101 4.2101 4.6019 4.6019 4.6852 4.6852 5.4535 5.4535 5.9473 5.9473 5.9947 5.9947 6.1485 6.1485 7.2254 7.2254 7.3283 7.3283 7.4863 7.4863 8.6034 8.6034 8.7543 8.7543 8.9402 8.9402 9.8151 9.8151 10.8076 10.8076 10.9675 10.9675 11.0465 11.0465 11.6199 11.6199 k = 0.0000 0.0000 0.1909 ( 6160 PWs) bands (ev): -53.8908 -53.8908 -53.8888 -53.8888 -28.2051 -28.2051 -28.1918 -28.1918 -20.5513 -20.5513 -20.4908 -20.4908 -20.4533 -20.4533 -20.4405 -20.4405 -6.6572 -6.6572 -6.2803 -6.2803 -4.9222 -4.9222 -3.7156 -3.7156 -2.8974 -2.8974 -1.7613 -1.7613 2.3940 2.3940 2.4460 2.4460 2.8722 2.8722 3.1713 3.1713 4.2119 4.2119 4.6187 4.6187 4.6662 4.6662 5.5045 5.5045 5.9416 5.9416 5.9791 5.9791 6.1214 6.1214 7.2247 7.2247 7.3278 7.3278 7.4852 7.4852 8.6170 8.6170 8.7519 8.7519 8.9245 8.9245 9.8188 9.8188 10.8208 10.8208 10.9588 10.9588 11.0488 11.0488 11.6148 11.6148 k = 0.0000 0.0000 0.2021 ( 6162 PWs) bands (ev): -53.8908 -53.8908 -53.8888 -53.8888 -28.2050 -28.2050 -28.1918 -28.1918 -20.5512 -20.5512 -20.4909 -20.4909 -20.4533 -20.4533 -20.4405 -20.4405 -6.6559 -6.6559 -6.2824 -6.2824 -4.9211 -4.9211 -3.7157 -3.7157 -2.8974 -2.8974 -1.7615 -1.7615 2.4097 2.4097 2.4283 2.4283 2.8733 2.8733 3.1704 3.1704 4.2125 4.2125 4.6290 4.6290 4.6551 4.6551 5.5239 5.5239 5.9351 5.9351 5.9757 5.9757 6.1128 6.1128 7.2244 7.2244 7.3277 7.3277 7.4848 7.4848 8.6218 8.6218 8.7514 8.7514 8.9189 8.9189 9.8201 9.8201 10.8260 10.8260 10.9542 10.9542 11.0504 11.0504 11.6130 11.6130 k = 0.0000 0.0000 0.2021 ( 6162 PWs) bands (ev): -53.8908 -53.8908 -53.8888 -53.8888 -28.2050 -28.2050 -28.1918 -28.1918 -20.5512 -20.5512 -20.4909 -20.4909 -20.4533 -20.4533 -20.4405 -20.4405 -6.6559 -6.6559 -6.2824 -6.2824 -4.9211 -4.9211 -3.7157 -3.7157 -2.8974 -2.8974 -1.7615 -1.7615 2.4097 2.4097 2.4283 2.4283 2.8733 2.8733 3.1704 3.1704 4.2125 4.2125 4.6290 4.6290 4.6551 4.6551 5.5239 5.5239 5.9351 5.9351 5.9757 5.9757 6.1128 6.1128 7.2244 7.2244 7.3277 7.3277 7.4848 7.4848 8.6218 8.6218 8.7514 8.7514 8.9189 8.9189 9.8201 9.8201 10.8260 10.8260 10.9542 10.9542 11.0504 11.0504 11.6130 11.6130 k = 0.0000 0.0111 0.2021 ( 6166 PWs) bands (ev): -53.8908 -53.8908 -53.8888 -53.8888 -28.2051 -28.2051 -28.1918 -28.1918 -20.5513 -20.5513 -20.4909 -20.4909 -20.4533 -20.4533 -20.4405 -20.4405 -6.6552 -6.6552 -6.2818 -6.2818 -4.9206 -4.9206 -3.7165 -3.7165 -2.8992 -2.8992 -1.7644 -1.7644 2.3876 2.3876 2.4547 2.4547 2.8740 2.8740 3.1758 3.1758 4.2113 4.2113 4.6292 4.6292 4.6554 4.6554 5.5245 5.5245 5.9361 5.9361 5.9758 5.9758 6.1126 6.1126 7.2215 7.2215 7.3234 7.3234 7.4841 7.4841 8.6207 8.6207 8.7513 8.7513 8.9199 8.9199 9.8193 9.8193 10.8212 10.8212 10.9545 10.9545 11.0508 11.0508 11.6145 11.6145 k = 0.0000 0.0222 0.2021 ( 6171 PWs) bands (ev): -53.8908 -53.8908 -53.8888 -53.8888 -28.2051 -28.2051 -28.1919 -28.1919 -20.5513 -20.5513 -20.4910 -20.4910 -20.4533 -20.4533 -20.4406 -20.4406 -6.6531 -6.6531 -6.2799 -6.2799 -4.9191 -4.9191 -3.7186 -3.7186 -2.9045 -2.9045 -1.7728 -1.7728 2.3622 2.3622 2.4929 2.4929 2.8764 2.8764 3.1913 3.1913 4.2080 4.2080 4.6298 4.6298 4.6565 4.6565 5.5263 5.5263 5.9389 5.9389 5.9758 5.9758 6.1123 6.1123 7.2122 7.2122 7.3111 7.3111 7.4820 7.4820 8.6177 8.6177 8.7508 8.7508 8.9230 8.9230 9.8170 9.8170 10.8073 10.8073 10.9544 10.9544 11.0519 11.0519 11.6188 11.6188 k = 0.0000 0.0333 0.2021 ( 6175 PWs) bands (ev): -53.8908 -53.8908 -53.8888 -53.8888 -28.2051 -28.2051 -28.1919 -28.1919 -20.5512 -20.5512 -20.4910 -20.4910 -20.4533 -20.4533 -20.4407 -20.4407 -6.6497 -6.6497 -6.2768 -6.2768 -4.9166 -4.9166 -3.7222 -3.7222 -2.9134 -2.9134 -1.7868 -1.7868 2.3403 2.3403 2.5356 2.5356 2.8818 2.8818 3.2162 3.2162 4.2025 4.2025 4.6308 4.6308 4.6583 4.6583 5.5293 5.5293 5.9432 5.9432 5.9760 5.9760 6.1119 6.1119 7.1954 7.1954 7.2925 7.2925 7.4786 7.4786 8.6127 8.6127 8.7501 8.7501 8.9282 8.9282 9.8131 9.8131 10.7862 10.7862 10.9519 10.9519 11.0538 11.0538 11.6258 11.6258 k = 0.0000 0.0444 0.2021 ( 6179 PWs) bands (ev): -53.8908 -53.8908 -53.8888 -53.8888 -28.2051 -28.2051 -28.1919 -28.1919 -20.5513 -20.5513 -20.4912 -20.4912 -20.4532 -20.4532 -20.4408 -20.4408 -6.6450 -6.6450 -6.2724 -6.2724 -4.9132 -4.9132 -3.7272 -3.7272 -2.9255 -2.9255 -1.8060 -1.8060 2.3218 2.3218 2.5821 2.5821 2.8920 2.8920 3.2492 3.2492 4.1947 4.1947 4.6323 4.6323 4.6608 4.6608 5.5334 5.5334 5.9484 5.9484 5.9762 5.9762 6.1121 6.1121 7.1690 7.1690 7.2705 7.2705 7.4739 7.4739 8.6057 8.6057 8.7490 8.7490 8.9354 8.9354 9.8078 9.8078 10.7590 10.7590 10.9452 10.9452 11.0564 11.0564 11.6352 11.6352 k = 0.0000 0.0555 0.2021 ( 6194 PWs) bands (ev): -53.8908 -53.8908 -53.8888 -53.8888 -28.2051 -28.2051 -28.1921 -28.1921 -20.5513 -20.5513 -20.4914 -20.4914 -20.4533 -20.4533 -20.4409 -20.4409 -6.6390 -6.6390 -6.2669 -6.2669 -4.9088 -4.9088 -3.7337 -3.7337 -2.9408 -2.9408 -1.8302 -1.8302 2.3062 2.3062 2.6312 2.6312 2.9088 2.9088 3.2891 3.2891 4.1848 4.1848 4.6340 4.6340 4.6639 4.6639 5.5387 5.5387 5.9537 5.9537 5.9767 5.9767 6.1134 6.1134 7.1312 7.1312 7.2476 7.2476 7.4679 7.4679 8.5969 8.5969 8.7475 8.7475 8.9446 8.9446 9.8011 9.8011 10.7265 10.7265 10.9333 10.9333 11.0596 11.0596 11.6465 11.6465 k = 0.0000 0.0665 0.2021 ( 6190 PWs) bands (ev): -53.8908 -53.8908 -53.8888 -53.8888 -28.2051 -28.2051 -28.1920 -28.1920 -20.5513 -20.5513 -20.4915 -20.4915 -20.4532 -20.4532 -20.4410 -20.4410 -6.6316 -6.6316 -6.2602 -6.2602 -4.9036 -4.9036 -3.7415 -3.7415 -2.9591 -2.9591 -1.8590 -1.8590 2.2933 2.2933 2.6816 2.6816 2.9343 2.9343 3.3350 3.3350 4.1727 4.1727 4.6361 4.6361 4.6678 4.6678 5.5450 5.5450 5.9579 5.9579 5.9775 5.9775 6.1168 6.1168 7.0821 7.0821 7.2251 7.2251 7.4608 7.4608 8.5864 8.5864 8.7456 8.7456 8.9558 8.9558 9.7930 9.7930 10.6887 10.6887 10.9159 10.9159 11.0632 11.0632 11.6587 11.6587 k = 0.0000 0.0776 0.2021 ( 6194 PWs) bands (ev): -53.8908 -53.8908 -53.8888 -53.8888 -28.2051 -28.2051 -28.1921 -28.1921 -20.5512 -20.5512 -20.4918 -20.4918 -20.4531 -20.4531 -20.4412 -20.4412 -6.6230 -6.6230 -6.2525 -6.2525 -4.8975 -4.8975 -3.7507 -3.7507 -2.9799 -2.9799 -1.8919 -1.8919 2.2829 2.2829 2.7318 2.7318 2.9703 2.9703 3.3860 3.3860 4.1585 4.1585 4.6386 4.6386 4.6723 4.6723 5.5523 5.5523 5.9601 5.9601 5.9786 5.9786 6.1231 6.1231 7.0234 7.0234 7.2027 7.2027 7.4526 7.4526 8.5744 8.5744 8.7433 8.7433 8.9690 8.9690 9.7835 9.7835 10.6452 10.6452 10.8931 10.8931 11.0669 11.0669 11.6705 11.6705 k = 0.0000 0.0887 0.2021 ( 6191 PWs) bands (ev): -53.8908 -53.8908 -53.8888 -53.8888 -28.2051 -28.2051 -28.1922 -28.1922 -20.5512 -20.5512 -20.4920 -20.4920 -20.4530 -20.4530 -20.4414 -20.4414 -6.6132 -6.6132 -6.2437 -6.2437 -4.8906 -4.8906 -3.7613 -3.7613 -3.0031 -3.0031 -1.9286 -1.9286 2.2746 2.2746 2.7803 2.7803 3.0180 3.0180 3.4413 3.4413 4.1423 4.1423 4.6413 4.6413 4.6774 4.6774 5.5604 5.5604 5.9596 5.9596 5.9795 5.9795 6.1332 6.1332 6.9571 6.9571 7.1800 7.1800 7.4434 7.4434 8.5609 8.5609 8.7403 8.7403 8.9840 8.9840 9.7725 9.7725 10.5954 10.5954 10.8656 10.8656 11.0708 11.0708 11.6793 11.6793 k = 0.0000 0.0998 0.2021 ( 6195 PWs) bands (ev): -53.8908 -53.8908 -53.8888 -53.8888 -28.2051 -28.2051 -28.1922 -28.1922 -20.5512 -20.5512 -20.4923 -20.4923 -20.4530 -20.4530 -20.4416 -20.4416 -6.6022 -6.6022 -6.2340 -6.2340 -4.8830 -4.8830 -3.7732 -3.7732 -3.0282 -3.0282 -1.9686 -1.9686 2.2686 2.2686 2.8269 2.8269 3.0774 3.0774 3.5005 3.5005 4.1242 4.1242 4.6443 4.6443 4.6832 4.6832 5.5691 5.5691 5.9564 5.9564 5.9797 5.9797 6.1471 6.1471 6.8853 6.8853 7.1566 7.1566 7.4333 7.4333 8.5463 8.5463 8.7367 8.7367 9.0009 9.0009 9.7599 9.7599 10.5389 10.5389 10.8341 10.8341 11.0746 11.0746 11.6824 11.6824 k = 0.0000 0.1109 0.2021 ( 6193 PWs) bands (ev): -53.8908 -53.8908 -53.8888 -53.8888 -28.2051 -28.2051 -28.1923 -28.1923 -20.5511 -20.5511 -20.4926 -20.4926 -20.4529 -20.4529 -20.4418 -20.4418 -6.5901 -6.5901 -6.2234 -6.2234 -4.8748 -4.8748 -3.7862 -3.7862 -3.0550 -3.0550 -2.0114 -2.0114 2.2647 2.2647 2.8722 2.8722 3.1472 3.1472 3.5626 3.5626 4.1044 4.1044 4.6475 4.6475 4.6895 4.6895 5.5782 5.5782 5.9505 5.9505 5.9794 5.9794 6.1643 6.1643 6.8103 6.8103 7.1325 7.1325 7.4223 7.4223 8.5308 8.5308 8.7324 8.7324 9.0197 9.0197 9.7456 9.7456 10.4755 10.4755 10.7990 10.7990 11.0784 11.0784 11.6772 11.6772 k = 0.0000 0.1220 0.2021 ( 6199 PWs) bands (ev): -53.8908 -53.8908 -53.8888 -53.8888 -28.2050 -28.2050 -28.1924 -28.1924 -20.5511 -20.5511 -20.4929 -20.4929 -20.4528 -20.4528 -20.4420 -20.4420 -6.5769 -6.5769 -6.2120 -6.2120 -4.8659 -4.8659 -3.8005 -3.8005 -3.0832 -3.0832 -2.0564 -2.0564 2.2630 2.2630 2.9175 2.9175 3.2254 3.2254 3.6270 3.6270 4.0836 4.0836 4.6509 4.6509 4.6963 4.6963 5.5872 5.5872 5.9418 5.9418 5.9786 5.9786 6.1838 6.1838 6.7345 6.7345 7.1077 7.1077 7.4108 7.4108 8.5147 8.5147 8.7274 8.7274 9.0403 9.0403 9.7293 9.7293 10.4053 10.4053 10.7604 10.7604 11.0820 11.0820 11.6637 11.6637 k = 0.0000 0.1331 0.2021 ( 6192 PWs) bands (ev): -53.8908 -53.8908 -53.8888 -53.8888 -28.2050 -28.2050 -28.1924 -28.1924 -20.5510 -20.5510 -20.4932 -20.4932 -20.4527 -20.4527 -20.4422 -20.4422 -6.5628 -6.5628 -6.2000 -6.2000 -4.8567 -4.8567 -3.8158 -3.8158 -3.1124 -3.1124 -2.1032 -2.1032 2.2637 2.2637 2.9634 2.9634 3.3103 3.3103 3.6922 3.6922 4.0625 4.0625 4.6545 4.6545 4.7037 4.7037 5.5955 5.5955 5.9303 5.9303 5.9775 5.9775 6.2039 6.2039 6.6611 6.6611 7.0823 7.0823 7.3987 7.3987 8.4981 8.4981 8.7217 8.7217 9.0626 9.0626 9.7106 9.7106 10.3291 10.3291 10.7182 10.7182 11.0854 11.0854 11.6432 11.6432 k = 0.0000 0.1442 0.2021 ( 6188 PWs) bands (ev): -53.8907 -53.8907 -53.8888 -53.8888 -28.2050 -28.2050 -28.1924 -28.1924 -20.5510 -20.5510 -20.4935 -20.4935 -20.4526 -20.4526 -20.4424 -20.4424 -6.5477 -6.5477 -6.1875 -6.1875 -4.8470 -4.8470 -3.8320 -3.8320 -3.1422 -3.1422 -2.1514 -2.1514 2.2669 2.2669 3.0106 3.0106 3.4001 3.4001 3.7559 3.7559 4.0434 4.0434 4.6581 4.6581 4.7115 4.7115 5.6025 5.6025 5.9161 5.9161 5.9759 5.9759 6.2221 6.2221 6.5944 6.5944 7.0566 7.0566 7.3862 7.3862 8.4813 8.4813 8.7152 8.7152 9.0865 9.0865 9.6888 9.6888 10.2479 10.2479 10.6720 10.6720 11.0884 11.0884 11.6169 11.6169 k = 0.0000 0.1553 0.2021 ( 6182 PWs) bands (ev): -53.8907 -53.8907 -53.8888 -53.8888 -28.2049 -28.2049 -28.1925 -28.1925 -20.5509 -20.5509 -20.4938 -20.4938 -20.4524 -20.4524 -20.4427 -20.4427 -6.5317 -6.5317 -6.1745 -6.1745 -4.8370 -4.8370 -3.8490 -3.8490 -3.1724 -3.1724 -2.2003 -2.2003 2.2727 2.2727 3.0593 3.0593 3.4932 3.4932 3.8129 3.8129 4.0314 4.0314 4.6618 4.6618 4.7198 4.7198 5.6071 5.6071 5.8988 5.8988 5.9738 5.9738 6.2344 6.2344 6.5409 6.5409 7.0306 7.0306 7.3734 7.3734 8.4646 8.4646 8.7081 8.7081 9.1117 9.1117 9.6633 9.6633 10.1632 10.1632 10.6211 10.6211 11.0908 11.0908 11.5850 11.5850 k = 0.0000 0.1664 0.2021 ( 6186 PWs) bands (ev): -53.8907 -53.8907 -53.8888 -53.8888 -28.2049 -28.2049 -28.1926 -28.1926 -20.5509 -20.5509 -20.4942 -20.4942 -20.4523 -20.4523 -20.4430 -20.4430 -6.5151 -6.5151 -6.1613 -6.1613 -4.8269 -4.8269 -3.8666 -3.8666 -3.2026 -3.2026 -2.2497 -2.2497 2.2812 2.2812 3.1095 3.1095 3.5875 3.5875 3.8524 3.8524 4.0379 4.0379 4.6656 4.6656 4.7283 4.7283 5.6078 5.6078 5.8779 5.8779 5.9710 5.9710 6.2362 6.2362 6.5080 6.5080 7.0046 7.0046 7.3606 7.3606 8.4482 8.4482 8.7004 8.7004 9.1382 9.1382 9.6328 9.6328 10.0767 10.0767 10.5652 10.5652 11.0925 11.0925 11.5461 11.5461 k = 0.0000 0.1775 0.2021 ( 6193 PWs) bands (ev): -53.8907 -53.8907 -53.8888 -53.8888 -28.2049 -28.2049 -28.1927 -28.1927 -20.5508 -20.5508 -20.4946 -20.4946 -20.4522 -20.4522 -20.4433 -20.4433 -6.4978 -6.4978 -6.1480 -6.1480 -4.8167 -4.8167 -3.8846 -3.8846 -3.2326 -3.2326 -2.2990 -2.2990 2.2927 2.2927 3.1610 3.1610 3.6782 3.6782 3.8675 3.8675 4.0731 4.0731 4.6692 4.6692 4.7372 4.7372 5.6026 5.6026 5.8531 5.8531 5.9674 5.9674 6.2266 6.2266 6.4998 6.4998 6.9788 6.9788 7.3478 7.3478 8.4323 8.4323 8.6921 8.6921 9.1654 9.1654 9.5958 9.5958 9.9908 9.9908 10.5045 10.5045 11.0929 11.0929 11.4980 11.4980 k = 0.0000 0.1886 0.2021 ( 6194 PWs) bands (ev): -53.8907 -53.8907 -53.8888 -53.8888 -28.2049 -28.2049 -28.1927 -28.1927 -20.5508 -20.5508 -20.4949 -20.4949 -20.4521 -20.4521 -20.4436 -20.4436 -6.4800 -6.4800 -6.1348 -6.1348 -4.8065 -4.8065 -3.9029 -3.9029 -3.2622 -3.2622 -2.3478 -2.3478 2.3071 2.3071 3.2136 3.2136 3.7476 3.7476 3.8821 3.8821 4.1294 4.1294 4.6728 4.6728 4.7464 4.7464 5.5890 5.5890 5.8249 5.8249 5.9635 5.9635 6.2121 6.2121 6.5125 6.5125 6.9533 6.9533 7.3353 7.3353 8.4172 8.4172 8.6835 8.6835 9.1928 9.1928 9.5505 9.5505 9.9081 9.9081 10.4394 10.4394 11.0913 11.0913 11.4398 11.4398 k = 0.0000 0.1996 0.2021 ( 6200 PWs) bands (ev): -53.8907 -53.8907 -53.8889 -53.8889 -28.2049 -28.2049 -28.1928 -28.1928 -20.5507 -20.5507 -20.4953 -20.4953 -20.4519 -20.4519 -20.4439 -20.4439 -6.4618 -6.4618 -6.1218 -6.1218 -4.7964 -4.7964 -3.9212 -3.9212 -3.2911 -3.2911 -2.3957 -2.3957 2.3246 2.3246 3.2671 3.2671 3.7614 3.7614 3.9411 3.9411 4.1946 4.1946 4.6762 4.6762 4.7557 4.7557 5.5639 5.5639 5.7960 5.7960 5.9596 5.9596 6.2005 6.2005 6.5388 6.5388 6.9283 6.9283 7.3231 7.3231 8.4030 8.4030 8.6746 8.6746 9.2191 9.2191 9.4953 9.4953 9.8310 9.8310 10.3714 10.3714 11.0862 11.0862 11.3748 11.3748 k = 0.0000 0.2107 0.2021 ( 6198 PWs) bands (ev): -53.8907 -53.8907 -53.8889 -53.8889 -28.2048 -28.2048 -28.1929 -28.1929 -20.5507 -20.5507 -20.4957 -20.4957 -20.4518 -20.4518 -20.4442 -20.4442 -6.4434 -6.4434 -6.1092 -6.1092 -4.7865 -4.7865 -3.9394 -3.9394 -3.3191 -3.3191 -2.4422 -2.4422 2.3452 2.3452 3.3210 3.3210 3.7385 3.7385 4.0305 4.0305 4.2621 4.2621 4.6793 4.6793 4.7652 4.7652 5.5257 5.5257 5.7695 5.7695 5.9563 5.9563 6.1958 6.1958 6.5736 6.5736 6.9040 6.9040 7.3115 7.3115 8.3898 8.3898 8.6655 8.6655 9.2418 9.2418 9.4311 9.4311 9.7615 9.7615 10.3022 10.3022 11.0749 11.0749 11.3097 11.3097 k = 0.0000 0.2218 0.2021 ( 6192 PWs) bands (ev): -53.8907 -53.8907 -53.8889 -53.8889 -28.2048 -28.2048 -28.1930 -28.1930 -20.5506 -20.5506 -20.4960 -20.4960 -20.4516 -20.4516 -20.4445 -20.4445 -6.4249 -6.4249 -6.0972 -6.0972 -4.7768 -4.7768 -3.9572 -3.9572 -3.3461 -3.3461 -2.4869 -2.4869 2.3689 2.3689 3.3748 3.3748 3.7036 3.7036 4.1273 4.1273 4.3288 4.3288 4.6823 4.6823 4.7747 4.7747 5.4754 5.4754 5.7476 5.7476 5.9538 5.9538 6.1987 6.1987 6.6137 6.6137 6.8807 6.8807 7.3007 7.3007 8.3778 8.3778 8.6564 8.6564 9.2513 9.2513 9.3662 9.3662 9.7000 9.7000 10.2342 10.2342 11.0518 11.0518 11.2529 11.2529 k = 0.0000 0.2329 0.2021 ( 6202 PWs) bands (ev): -53.8907 -53.8907 -53.8889 -53.8889 -28.2048 -28.2048 -28.1930 -28.1930 -20.5506 -20.5506 -20.4963 -20.4963 -20.4515 -20.4515 -20.4448 -20.4448 -6.4065 -6.4065 -6.0860 -6.0860 -4.7674 -4.7674 -3.9745 -3.9745 -3.3718 -3.3718 -2.5295 -2.5295 2.3957 2.3957 3.4275 3.4275 3.6642 3.6642 4.2247 4.2247 4.3921 4.3921 4.6848 4.6848 4.7842 4.7842 5.4168 5.4168 5.7301 5.7301 5.9521 5.9521 6.2079 6.2079 6.6573 6.6573 6.8586 6.8586 7.2907 7.2907 8.3670 8.3670 8.6474 8.6474 9.2175 9.2175 9.3301 9.3301 9.6473 9.6473 10.1700 10.1700 11.0114 11.0114 11.2123 11.2123 k = 0.0000 0.2440 0.2021 ( 6203 PWs) bands (ev): -53.8907 -53.8907 -53.8889 -53.8889 -28.2048 -28.2048 -28.1931 -28.1931 -20.5505 -20.5505 -20.4967 -20.4967 -20.4513 -20.4513 -20.4451 -20.4451 -6.3883 -6.3883 -6.0757 -6.0757 -4.7583 -4.7583 -3.9911 -3.9911 -3.3962 -3.3962 -2.5696 -2.5696 2.4255 2.4255 3.4765 3.4765 3.6247 3.6247 4.3203 4.3203 4.4504 4.4504 4.6870 4.6870 4.7937 4.7937 5.3541 5.3541 5.7165 5.7165 5.9511 5.9511 6.2223 6.2223 6.7027 6.7027 6.8385 6.8385 7.2818 7.2818 8.3574 8.3574 8.6387 8.6387 9.1400 9.1400 9.3202 9.3202 9.6069 9.6069 10.1116 10.1116 10.9543 10.9543 11.1884 11.1884 k = 0.0000 0.2551 0.2021 ( 6194 PWs) bands (ev): -53.8907 -53.8907 -53.8889 -53.8889 -28.2047 -28.2047 -28.1931 -28.1931 -20.5505 -20.5505 -20.4969 -20.4969 -20.4511 -20.4511 -20.4453 -20.4453 -6.3707 -6.3707 -6.0664 -6.0664 -4.7494 -4.7494 -4.0069 -4.0069 -3.4190 -3.4190 -2.6067 -2.6067 2.4583 2.4583 3.5090 3.5090 3.5985 3.5985 4.4123 4.4123 4.5016 4.5016 4.6888 4.6888 4.8030 4.8030 5.2912 5.2912 5.7061 5.7061 5.9505 5.9505 6.2404 6.2404 6.7462 6.7462 6.8234 6.8234 7.2740 7.2740 8.3490 8.3490 8.6304 8.6304 9.0501 9.0501 9.3006 9.3006 9.5850 9.5850 10.0604 10.0604 10.8877 10.8877 11.1752 11.1752 k = 0.0000 0.2662 0.2021 ( 6195 PWs) bands (ev): -53.8907 -53.8907 -53.8889 -53.8889 -28.2047 -28.2047 -28.1932 -28.1932 -20.5504 -20.5504 -20.4972 -20.4972 -20.4510 -20.4510 -20.4456 -20.4456 -6.3539 -6.3539 -6.0584 -6.0584 -4.7407 -4.7407 -4.0218 -4.0218 -3.4403 -3.4403 -2.6405 -2.6405 2.4939 2.4939 3.4940 3.4940 3.6164 3.6164 4.4992 4.4992 4.5441 4.5441 4.6901 4.6901 4.8122 4.8122 5.2316 5.2316 5.6990 5.6990 5.9503 5.9503 6.2611 6.2611 6.7709 6.7709 6.8294 6.8294 7.2674 7.2674 8.3415 8.3415 8.6225 8.6225 8.9588 8.9588 9.2604 9.2604 9.5840 9.5840 10.0171 10.0171 10.8179 10.8179 11.1674 11.1674 k = 0.0000 0.2773 0.2021 ( 6195 PWs) bands (ev): -53.8907 -53.8907 -53.8889 -53.8889 -28.2046 -28.2046 -28.1933 -28.1933 -20.5503 -20.5503 -20.4975 -20.4975 -20.4507 -20.4507 -20.4459 -20.4459 -6.3380 -6.3380 -6.0517 -6.0517 -4.7323 -4.7323 -4.0357 -4.0357 -3.4598 -3.4598 -2.6707 -2.6707 2.5323 2.5323 3.4514 3.4514 3.6583 3.6583 4.5727 4.5727 4.5830 4.5830 4.6909 4.6909 4.8211 4.8211 5.1778 5.1778 5.6956 5.6956 5.9503 5.9503 6.2834 6.2834 6.7645 6.7645 6.8678 6.8678 7.2623 7.2623 8.3344 8.3344 8.6151 8.6151 8.8709 8.8709 9.2037 9.2037 9.5991 9.5991 9.9814 9.9814 10.7487 10.7487 11.1620 11.1620 k = 0.0000 0.2884 0.2021 ( 6201 PWs) bands (ev): -53.8907 -53.8907 -53.8889 -53.8889 -28.2046 -28.2046 -28.1934 -28.1934 -20.5503 -20.5503 -20.4977 -20.4977 -20.4506 -20.4506 -20.4462 -20.4462 -6.3233 -6.3233 -6.0463 -6.0463 -4.7240 -4.7240 -4.0487 -4.0487 -3.4775 -3.4775 -2.6968 -2.6968 2.5732 2.5732 3.4022 3.4022 3.7025 3.7025 4.5952 4.5952 4.6531 4.6531 4.6918 4.6918 4.8296 4.8296 5.1319 5.1319 5.6962 5.6962 5.9504 5.9504 6.3064 6.3064 6.7504 6.7504 6.9138 6.9138 7.2586 7.2586 8.3273 8.3273 8.6080 8.6080 8.7908 8.7908 9.1382 9.1382 9.6232 9.6232 9.9524 9.9524 10.6826 10.6826 11.1575 11.1575 k = 0.0000 0.2995 0.2021 ( 6204 PWs) bands (ev): -53.8907 -53.8907 -53.8889 -53.8889 -28.2047 -28.2047 -28.1934 -28.1934 -20.5503 -20.5503 -20.4979 -20.4979 -20.4504 -20.4504 -20.4464 -20.4464 -6.3103 -6.3103 -6.0422 -6.0422 -4.7159 -4.7159 -4.0606 -4.0606 -3.4934 -3.4934 -2.7187 -2.7187 2.6166 2.6166 3.3505 3.3505 3.7438 3.7438 4.6040 4.6040 4.6890 4.6890 4.7194 4.7194 4.8378 4.8378 5.0950 5.0950 5.7011 5.7011 5.9505 5.9505 6.3294 6.3294 6.7359 6.7359 6.9585 6.9585 7.2564 7.2564 8.3191 8.3191 8.6007 8.6007 8.7227 8.7227 9.0701 9.0701 9.6515 9.6515 9.9292 9.9292 10.6215 10.6215 11.1533 11.1533 k = 0.0000 0.3106 0.2021 ( 6197 PWs) bands (ev): -53.8907 -53.8907 -53.8889 -53.8889 -28.2046 -28.2046 -28.1934 -28.1934 -20.5503 -20.5503 -20.4980 -20.4980 -20.4503 -20.4503 -20.4466 -20.4466 -6.2990 -6.2990 -6.0393 -6.0393 -4.7079 -4.7079 -4.0713 -4.0713 -3.5073 -3.5073 -2.7360 -2.7360 2.6621 2.6621 3.2976 3.2976 3.7797 3.7797 4.6033 4.6033 4.6889 4.6889 4.7720 4.7720 4.8457 4.8457 5.0667 5.0667 5.7103 5.7103 5.9506 5.9506 6.3518 6.3518 6.7222 6.7222 6.9981 6.9981 7.2557 7.2557 8.3091 8.3091 8.5920 8.5920 8.6717 8.6717 9.0041 9.0041 9.6812 9.6812 9.9107 9.9107 10.5674 10.5674 11.1487 11.1487 k = 0.0000 0.3217 0.2021 ( 6194 PWs) bands (ev): -53.8907 -53.8907 -53.8889 -53.8889 -28.2046 -28.2046 -28.1934 -28.1934 -20.5502 -20.5502 -20.4981 -20.4981 -20.4501 -20.4501 -20.4468 -20.4468 -6.2900 -6.2900 -6.0375 -6.0375 -4.7001 -4.7001 -4.0809 -4.0809 -3.5192 -3.5192 -2.7486 -2.7486 2.7095 2.7095 3.2443 3.2443 3.8080 3.8080 4.5964 4.5964 4.6875 4.6875 4.8135 4.8135 4.8535 4.8535 5.0458 5.0458 5.7236 5.7236 5.9508 5.9508 6.3729 6.3729 6.7100 6.7100 7.0295 7.0295 7.2565 7.2565 8.2977 8.2977 8.5809 8.5809 8.6413 8.6413 8.9441 8.9441 9.7101 9.7101 9.8955 9.8955 10.5222 10.5222 11.1437 11.1437 k = 0.0000 0.3327 0.2021 ( 6196 PWs) bands (ev): -53.8907 -53.8907 -53.8889 -53.8889 -28.2046 -28.2046 -28.1935 -28.1935 -20.5502 -20.5502 -20.4982 -20.4982 -20.4500 -20.4500 -20.4470 -20.4470 -6.2834 -6.2834 -6.0367 -6.0367 -4.6926 -4.6926 -4.0891 -4.0891 -3.5290 -3.5290 -2.7564 -2.7564 2.7586 2.7586 3.1909 3.1909 3.8267 3.8267 4.5872 4.5872 4.6853 4.6853 4.8417 4.8417 4.8618 4.8618 5.0311 5.0311 5.7402 5.7402 5.9508 5.9508 6.3922 6.3922 6.6993 6.6993 7.0497 7.0497 7.2586 7.2586 8.2869 8.2869 8.5708 8.5708 8.6283 8.6283 8.8938 8.8938 9.7367 9.7367 9.8821 9.8821 10.4883 10.4883 11.1381 11.1381 k = 0.0000 0.3327 0.2021 ( 6196 PWs) bands (ev): -53.8907 -53.8907 -53.8889 -53.8889 -28.2046 -28.2046 -28.1935 -28.1935 -20.5502 -20.5502 -20.4982 -20.4982 -20.4500 -20.4500 -20.4470 -20.4470 -6.2834 -6.2834 -6.0367 -6.0367 -4.6926 -4.6926 -4.0891 -4.0891 -3.5290 -3.5290 -2.7564 -2.7564 2.7586 2.7586 3.1909 3.1909 3.8267 3.8267 4.5872 4.5872 4.6853 4.6853 4.8417 4.8417 4.8618 4.8618 5.0311 5.0311 5.7402 5.7402 5.9508 5.9508 6.3922 6.3922 6.6993 6.6993 7.0497 7.0497 7.2586 7.2586 8.2869 8.2869 8.5708 8.5708 8.6283 8.6283 8.8938 8.8938 9.7367 9.7367 9.8821 9.8821 10.4883 10.4883 11.1381 11.1381 k = 0.0000 0.3368 0.1930 ( 6195 PWs) bands (ev): -53.8907 -53.8907 -53.8889 -53.8889 -28.2046 -28.2046 -28.1934 -28.1934 -20.5502 -20.5502 -20.4982 -20.4982 -20.4500 -20.4500 -20.4470 -20.4470 -6.2793 -6.2793 -6.0394 -6.0394 -4.6914 -4.6914 -4.0922 -4.0922 -3.5270 -3.5270 -2.7604 -2.7604 2.7904 2.7904 3.1401 3.1401 3.8281 3.8281 4.6264 4.6264 4.6837 4.6837 4.8457 4.8457 4.8629 4.8629 4.9994 4.9994 5.7738 5.7738 5.9523 5.9523 6.4173 6.4173 6.7171 6.7171 7.0204 7.0204 7.2367 7.2367 8.2704 8.2704 8.5649 8.5649 8.6241 8.6241 8.8762 8.8762 9.7500 9.7500 9.8687 9.8687 10.4874 10.4874 11.1533 11.1533 k = 0.0000 0.3408 0.1839 ( 6193 PWs) bands (ev): -53.8907 -53.8907 -53.8889 -53.8889 -28.2046 -28.2046 -28.1934 -28.1934 -20.5502 -20.5502 -20.4982 -20.4982 -20.4500 -20.4500 -20.4470 -20.4470 -6.2760 -6.2760 -6.0415 -6.0415 -4.6904 -4.6904 -4.0946 -4.0946 -3.5254 -3.5254 -2.7636 -2.7636 2.8248 2.8248 3.0906 3.0906 3.8292 3.8292 4.6639 4.6639 4.6830 4.6830 4.8457 4.8457 4.8634 4.8634 4.9709 4.9709 5.8019 5.8019 5.9533 5.9533 6.4366 6.4366 6.7325 6.7325 6.9969 6.9969 7.2182 7.2182 8.2564 8.2564 8.5601 8.5601 8.6209 8.6209 8.8622 8.8622 9.7640 9.7640 9.8549 9.8549 10.4866 10.4866 11.1654 11.1654 k = 0.0000 0.3449 0.1747 ( 6192 PWs) bands (ev): -53.8907 -53.8907 -53.8889 -53.8889 -28.2046 -28.2046 -28.1934 -28.1934 -20.5502 -20.5502 -20.4982 -20.4982 -20.4500 -20.4500 -20.4470 -20.4470 -6.2736 -6.2736 -6.0431 -6.0431 -4.6897 -4.6897 -4.0964 -4.0964 -3.5242 -3.5242 -2.7658 -2.7658 2.8613 2.8613 3.0432 3.0432 3.8299 3.8299 4.6797 4.6797 4.7020 4.7020 4.8398 4.8398 4.8633 4.8633 4.9485 4.9485 5.8231 5.8231 5.9539 5.9539 6.4502 6.4502 6.7447 6.7447 6.9798 6.9798 7.2041 7.2041 8.2458 8.2458 8.5567 8.5567 8.6185 8.6185 8.8522 8.8522 9.7784 9.7784 9.8406 9.8406 10.4860 10.4860 11.1743 11.1743 k = 0.0000 0.3490 0.1656 ( 6192 PWs) bands (ev): -53.8907 -53.8907 -53.8889 -53.8889 -28.2046 -28.2046 -28.1934 -28.1934 -20.5502 -20.5502 -20.4982 -20.4982 -20.4499 -20.4499 -20.4470 -20.4470 -6.2722 -6.2722 -6.0441 -6.0441 -4.6892 -4.6892 -4.0975 -4.0975 -3.5235 -3.5235 -2.7672 -2.7672 2.8983 2.8983 2.9996 2.9996 3.8304 3.8304 4.6796 4.6796 4.7314 4.7314 4.8280 4.8280 4.8632 4.8632 4.9350 4.9350 5.8364 5.8364 5.9542 5.9542 6.4582 6.4582 6.7525 6.7525 6.9694 6.9694 7.1952 7.1952 8.2391 8.2391 8.5546 8.5546 8.6170 8.6170 8.8462 8.8462 9.7927 9.7927 9.8266 9.8266 10.4856 10.4856 11.1797 11.1797 k = 0.0000 0.3530 0.1564 ( 6194 PWs) bands (ev): -53.8907 -53.8907 -53.8889 -53.8889 -28.2046 -28.2046 -28.1934 -28.1934 -20.5502 -20.5502 -20.4983 -20.4983 -20.4500 -20.4500 -20.4470 -20.4470 -6.2717 -6.2717 -6.0444 -6.0444 -4.6891 -4.6891 -4.0978 -4.0978 -3.5233 -3.5233 -2.7676 -2.7676 2.9222 2.9222 2.9735 2.9735 3.8305 3.8305 4.6794 4.6794 4.7451 4.7451 4.8200 4.8200 4.8632 4.8632 4.9307 4.9307 5.8409 5.8409 5.9543 5.9543 6.4608 6.4608 6.7552 6.7552 6.9660 6.9660 7.1922 7.1922 8.2368 8.2368 8.5539 8.5539 8.6165 8.6165 8.8441 8.8441 9.8021 9.8021 9.8172 9.8172 10.4854 10.4854 11.1815 11.1815 k = 0.0000 0.3530 0.1564 ( 6194 PWs) bands (ev): -53.8907 -53.8907 -53.8889 -53.8889 -28.2046 -28.2046 -28.1934 -28.1934 -20.5502 -20.5502 -20.4983 -20.4983 -20.4500 -20.4500 -20.4470 -20.4470 -6.2717 -6.2717 -6.0444 -6.0444 -4.6891 -4.6891 -4.0978 -4.0978 -3.5233 -3.5233 -2.7676 -2.7676 2.9222 2.9222 2.9735 2.9735 3.8305 3.8305 4.6794 4.6794 4.7451 4.7451 4.8200 4.8200 4.8632 4.8632 4.9307 4.9307 5.8409 5.8409 5.9543 5.9543 6.4608 6.4608 6.7552 6.7552 6.9660 6.9660 7.1922 7.1922 8.2368 8.2368 8.5539 8.5539 8.6165 8.6165 8.8441 8.8441 9.8021 9.8021 9.8172 9.8172 10.4854 10.4854 11.1815 11.1815 k = 0.0114 0.3530 0.1564 ( 6192 PWs) bands (ev): -53.8907 -53.8907 -53.8889 -53.8889 -28.2046 -28.2046 -28.1935 -28.1935 -20.5502 -20.5502 -20.4983 -20.4983 -20.4502 -20.4502 -20.4470 -20.4470 -6.2711 -6.2711 -6.0438 -6.0438 -4.6884 -4.6884 -4.0977 -4.0977 -3.5229 -3.5229 -2.7675 -2.7675 2.9236 2.9236 2.9748 2.9748 3.8302 3.8302 4.6744 4.6744 4.7488 4.7488 4.8134 4.8134 4.8601 4.8601 4.9357 4.9357 5.8207 5.8207 5.9709 5.9709 6.4593 6.4593 6.7453 6.7453 6.9700 6.9700 7.1896 7.1896 8.2411 8.2411 8.5544 8.5544 8.6175 8.6175 8.8471 8.8471 9.8030 9.8030 9.8216 9.8216 10.4841 10.4841 11.1752 11.1752 k = 0.0227 0.3530 0.1564 ( 6198 PWs) bands (ev): -53.8907 -53.8907 -53.8889 -53.8889 -28.2047 -28.2047 -28.1936 -28.1936 -20.5502 -20.5502 -20.4983 -20.4983 -20.4508 -20.4508 -20.4473 -20.4473 -6.2694 -6.2694 -6.0420 -6.0420 -4.6864 -4.6864 -4.0972 -4.0972 -3.5219 -3.5219 -2.7670 -2.7670 2.9276 2.9276 2.9789 2.9789 3.8293 3.8293 4.6615 4.6615 4.7572 4.7572 4.7934 4.7934 4.8567 4.8567 4.9455 4.9455 5.7773 5.7773 6.0035 6.0035 6.4546 6.4546 6.7176 6.7176 6.9802 6.9802 7.1823 7.1823 8.2535 8.2535 8.5546 8.5546 8.6215 8.6215 8.8558 8.8558 9.8061 9.8061 9.8341 9.8341 10.4802 10.4802 11.1569 11.1569 k = 0.0341 0.3530 0.1564 ( 6196 PWs) bands (ev): -53.8906 -53.8906 -53.8888 -53.8888 -28.2048 -28.2048 -28.1937 -28.1937 -20.5502 -20.5502 -20.4984 -20.4984 -20.4517 -20.4517 -20.4475 -20.4475 -6.2666 -6.2666 -6.0389 -6.0389 -4.6831 -4.6831 -4.0964 -4.0964 -3.5201 -3.5201 -2.7663 -2.7663 2.9342 2.9342 2.9858 2.9858 3.8277 3.8277 4.6440 4.6440 4.7575 4.7575 4.7725 4.7725 4.8563 4.8563 4.9538 4.9538 5.7256 5.7256 6.0377 6.0377 6.4466 6.4466 6.6762 6.6762 6.9937 6.9937 7.1710 7.1710 8.2732 8.2732 8.5523 8.5523 8.6309 8.6309 8.8695 8.8695 9.8120 9.8120 9.8542 9.8542 10.4736 10.4736 11.1284 11.1284 k = 0.0455 0.3530 0.1564 ( 6186 PWs) bands (ev): -53.8906 -53.8906 -53.8888 -53.8888 -28.2049 -28.2049 -28.1939 -28.1939 -20.5501 -20.5501 -20.4984 -20.4984 -20.4530 -20.4530 -20.4480 -20.4480 -6.2627 -6.2627 -6.0348 -6.0348 -4.6784 -4.6784 -4.0953 -4.0953 -3.5177 -3.5177 -2.7653 -2.7653 2.9435 2.9435 2.9953 2.9953 3.8254 3.8254 4.6236 4.6236 4.7210 4.7210 4.7813 4.7813 4.8581 4.8581 4.9575 4.9575 5.6705 5.6705 6.0693 6.0693 6.4350 6.4350 6.6247 6.6247 7.0081 7.0081 7.1568 7.1568 8.2988 8.2988 8.5459 8.5459 8.6470 8.6470 8.8870 8.8870 9.8207 9.8207 9.8816 9.8816 10.4644 10.4644 11.0920 11.0920 k = 0.0568 0.3530 0.1564 ( 6186 PWs) bands (ev): -53.8905 -53.8905 -53.8888 -53.8888 -28.2051 -28.2051 -28.1941 -28.1941 -20.5501 -20.5501 -20.4986 -20.4986 -20.4545 -20.4545 -20.4486 -20.4486 -6.2577 -6.2577 -6.0294 -6.0294 -4.6724 -4.6724 -4.0938 -4.0938 -3.5146 -3.5146 -2.7641 -2.7641 2.9554 2.9554 3.0074 3.0074 3.8223 3.8223 4.6008 4.6008 4.6771 4.6771 4.7921 4.7921 4.8612 4.8612 4.9550 4.9550 5.6140 5.6140 6.0971 6.0971 6.4188 6.4188 6.5661 6.5661 7.0225 7.0225 7.1410 7.1410 8.3288 8.3288 8.5352 8.5352 8.6697 8.6697 8.9073 8.9073 9.8323 9.8323 9.9157 9.9157 10.4525 10.4525 11.0498 11.0498 k = 0.0682 0.3530 0.1564 ( 6184 PWs) bands (ev): -53.8905 -53.8905 -53.8887 -53.8887 -28.2053 -28.2053 -28.1944 -28.1944 -20.5501 -20.5501 -20.4987 -20.4987 -20.4563 -20.4563 -20.4494 -20.4494 -6.2515 -6.2515 -6.0230 -6.0230 -4.6651 -4.6651 -4.0921 -4.0921 -3.5107 -3.5107 -2.7626 -2.7626 2.9698 2.9698 3.0221 3.0221 3.8184 3.8184 4.5759 4.5759 4.6289 4.6289 4.8026 4.8026 4.8651 4.8651 4.9457 4.9457 5.5578 5.5578 6.1206 6.1206 6.3961 6.3961 6.5043 6.5043 7.0362 7.0362 7.1250 7.1250 8.3616 8.3616 8.5210 8.5210 8.6975 8.6975 8.9290 8.9290 9.8470 9.8470 9.9557 9.9557 10.4382 10.4382 11.0039 11.0039 k = 0.0795 0.3530 0.1564 ( 6174 PWs) bands (ev): -53.8904 -53.8904 -53.8887 -53.8887 -28.2056 -28.2056 -28.1947 -28.1947 -20.5501 -20.5501 -20.4989 -20.4989 -20.4582 -20.4582 -20.4504 -20.4504 -6.2444 -6.2444 -6.0155 -6.0155 -4.6566 -4.6566 -4.0900 -4.0900 -3.5062 -3.5062 -2.7609 -2.7609 2.9867 2.9867 3.0393 3.0393 3.8135 3.8135 4.5479 4.5479 4.5782 4.5782 4.8121 4.8121 4.8694 4.8694 4.9298 4.9298 5.5028 5.5028 6.1395 6.1395 6.3621 6.3621 6.4459 6.4459 7.0487 7.0487 7.1103 7.1103 8.3956 8.3956 8.5046 8.5046 8.7288 8.7288 8.9514 8.9514 9.8649 9.8649 10.0003 10.0003 10.4216 10.4216 10.9562 10.9562 k = 0.0909 0.3530 0.1564 ( 6178 PWs) bands (ev): -53.8903 -53.8903 -53.8886 -53.8886 -28.2060 -28.2060 -28.1951 -28.1951 -20.5502 -20.5502 -20.4993 -20.4993 -20.4604 -20.4604 -20.4516 -20.4516 -6.2362 -6.2362 -6.0070 -6.0070 -4.6468 -4.6468 -4.0875 -4.0875 -3.5010 -3.5010 -2.7591 -2.7591 3.0060 3.0060 3.0588 3.0588 3.8076 3.8076 4.5094 4.5094 4.5329 4.5329 4.8197 4.8197 4.8734 4.8734 4.9086 4.9086 5.4500 5.4500 6.1530 6.1530 6.3103 6.3103 6.3995 6.3995 7.0574 7.0574 7.1001 7.1001 8.4275 8.4275 8.4888 8.4888 8.7621 8.7621 8.9735 8.9735 9.8863 9.8863 10.0480 10.0480 10.4032 10.4032 10.9090 10.9090 k = 0.1023 0.3530 0.1564 ( 6180 PWs) bands (ev): -53.8902 -53.8902 -53.8885 -53.8885 -28.2064 -28.2064 -28.1956 -28.1956 -20.5504 -20.5504 -20.4997 -20.4997 -20.4627 -20.4627 -20.4529 -20.4529 -6.2270 -6.2270 -5.9975 -5.9975 -4.6358 -4.6358 -4.0848 -4.0848 -3.4951 -3.4951 -2.7570 -2.7570 3.0276 3.0276 3.0806 3.0806 3.8004 3.8004 4.4534 4.4534 4.5003 4.5003 4.8223 4.8223 4.8729 4.8729 4.8896 4.8896 5.4002 5.4002 6.1581 6.1581 6.2479 6.2479 6.3629 6.3629 7.0574 7.0574 7.0998 7.0998 8.4403 8.4403 8.4902 8.4902 8.7957 8.7957 8.9950 8.9950 9.9111 9.9111 10.0962 10.0962 10.3839 10.3839 10.8642 10.8642 k = 0.1136 0.3530 0.1564 ( 6174 PWs) bands (ev): -53.8901 -53.8901 -53.8884 -53.8884 -28.2067 -28.2067 -28.1960 -28.1960 -20.5505 -20.5505 -20.5003 -20.5003 -20.4650 -20.4650 -20.4542 -20.4542 -6.2169 -6.2169 -5.9871 -5.9871 -4.6235 -4.6235 -4.0817 -4.0817 -3.4885 -3.4885 -2.7548 -2.7548 3.0514 3.0514 3.1044 3.1044 3.7920 3.7920 4.3904 4.3904 4.4702 4.4702 4.8099 4.8099 4.8636 4.8636 4.8876 4.8876 5.3536 5.3536 6.1343 6.1343 6.2038 6.2038 6.3291 6.3291 7.0492 7.0492 7.1088 7.1088 8.4231 8.4231 8.5194 8.5194 8.8280 8.8280 9.0154 9.0154 9.9396 9.9396 10.1416 10.1416 10.3652 10.3652 10.8246 10.8246 k = 0.1250 0.3530 0.1564 ( 6184 PWs) bands (ev): -53.8900 -53.8900 -53.8884 -53.8884 -28.2072 -28.2072 -28.1966 -28.1966 -20.5508 -20.5508 -20.5011 -20.5011 -20.4675 -20.4675 -20.4557 -20.4557 -6.2059 -6.2059 -5.9760 -5.9760 -4.6101 -4.6101 -4.0782 -4.0782 -3.4812 -3.4812 -2.7526 -2.7526 3.0773 3.0773 3.1301 3.1301 3.7822 3.7822 4.3231 4.3231 4.4402 4.4402 4.7782 4.7782 4.8626 4.8626 4.8903 4.8903 5.3107 5.3107 6.0695 6.0695 6.1947 6.1947 6.2953 6.2953 7.0382 7.0382 7.1217 7.1217 8.3967 8.3967 8.5553 8.5553 8.8576 8.8576 9.0346 9.0346 9.9714 9.9714 10.1791 10.1791 10.3500 10.3500 10.7933 10.7933 k = 0.1364 0.3530 0.1564 ( 6182 PWs) bands (ev): -53.8899 -53.8899 -53.8883 -53.8883 -28.2076 -28.2076 -28.1972 -28.1972 -20.5512 -20.5512 -20.5021 -20.5021 -20.4700 -20.4700 -20.4571 -20.4571 -6.1940 -6.1940 -5.9641 -5.9641 -4.5956 -4.5956 -4.0744 -4.0744 -3.4732 -3.4732 -2.7503 -2.7503 3.1050 3.1050 3.1572 3.1572 3.7710 3.7710 4.2522 4.2522 4.4099 4.4099 4.7376 4.7376 4.8650 4.8650 4.8925 4.8925 5.2720 5.2720 5.9947 5.9947 6.1905 6.1905 6.2623 6.2623 7.0265 7.0265 7.1360 7.1360 8.3663 8.3663 8.5923 8.5923 8.8835 8.8835 9.0527 9.0527 10.0060 10.0060 10.2020 10.2020 10.3419 10.3419 10.7740 10.7740 k = 0.1477 0.3530 0.1564 ( 6192 PWs) bands (ev): -53.8898 -53.8898 -53.8882 -53.8882 -28.2082 -28.2082 -28.1979 -28.1979 -20.5517 -20.5517 -20.5034 -20.5034 -20.4724 -20.4724 -20.4586 -20.4586 -6.1813 -6.1813 -5.9516 -5.9516 -4.5800 -4.5800 -4.0703 -4.0703 -3.4645 -3.4645 -2.7480 -2.7480 3.1344 3.1344 3.1855 3.1855 3.7583 3.7583 4.1782 4.1782 4.3795 4.3795 4.6937 4.6937 4.8654 4.8654 4.8939 4.8939 5.2384 5.2384 5.9193 5.9193 6.1782 6.1782 6.2353 6.2353 7.0144 7.0144 7.1507 7.1507 8.3327 8.3327 8.6291 8.6291 8.9049 8.9049 9.0696 9.0696 10.0424 10.0424 10.2074 10.2074 10.3418 10.3418 10.7702 10.7702 k = 0.1591 0.3530 0.1564 ( 6194 PWs) bands (ev): -53.8897 -53.8897 -53.8881 -53.8881 -28.2087 -28.2087 -28.1986 -28.1986 -20.5524 -20.5524 -20.5051 -20.5051 -20.4746 -20.4746 -20.4600 -20.4600 -6.1678 -6.1678 -5.9386 -5.9386 -4.5634 -4.5634 -4.0658 -4.0658 -3.4551 -3.4551 -2.7457 -2.7457 3.1651 3.1651 3.2142 3.2142 3.7445 3.7445 4.1017 4.1017 4.3492 4.3492 4.6488 4.6488 4.8602 4.8602 4.8952 4.8952 5.2111 5.2111 5.8459 5.8459 6.1503 6.1503 6.2208 6.2208 7.0017 7.0017 7.1656 7.1656 8.2963 8.2963 8.6646 8.6646 8.9219 8.9219 9.0855 9.0855 10.0787 10.0787 10.2008 10.2008 10.3446 10.3446 10.7835 10.7835 k = 0.1705 0.3530 0.1564 ( 6186 PWs) bands (ev): -53.8896 -53.8896 -53.8880 -53.8880 -28.2092 -28.2092 -28.1993 -28.1993 -20.5532 -20.5532 -20.5070 -20.5070 -20.4767 -20.4767 -20.4613 -20.4613 -6.1536 -6.1536 -5.9250 -5.9250 -4.5458 -4.5458 -4.0609 -4.0609 -3.4450 -3.4450 -2.7435 -2.7435 3.1966 3.1966 3.2427 3.2427 3.7298 3.7298 4.0234 4.0234 4.3192 4.3192 4.6042 4.6042 4.8472 4.8472 4.8971 4.8971 5.1911 5.1911 5.7758 5.7758 6.1115 6.1115 6.2142 6.2142 6.9880 6.9880 7.1802 7.1802 8.2571 8.2571 8.6975 8.6975 8.9350 8.9350 9.1006 9.1006 10.1102 10.1102 10.1919 10.1919 10.3464 10.3464 10.8128 10.8128 k = 0.1818 0.3530 0.1564 ( 6184 PWs) bands (ev): -53.8894 -53.8894 -53.8879 -53.8879 -28.2097 -28.2097 -28.2000 -28.2000 -20.5542 -20.5542 -20.5094 -20.5094 -20.4785 -20.4785 -20.4625 -20.4625 -6.1388 -6.1388 -5.9112 -5.9112 -4.5272 -4.5272 -4.0558 -4.0558 -3.4342 -3.4342 -2.7415 -2.7415 3.2284 3.2284 3.2697 3.2697 3.7150 3.7150 3.9444 3.9444 4.2898 4.2898 4.5605 4.5605 4.8259 4.8259 4.8987 4.8987 5.1788 5.1788 5.7100 5.7100 6.0681 6.0681 6.2099 6.2099 6.9729 6.9729 7.1942 7.1942 8.2154 8.2154 8.7258 8.7258 8.9458 8.9458 9.1150 9.1150 10.1274 10.1274 10.1918 10.1918 10.3493 10.3493 10.8539 10.8539 k = 0.1932 0.3530 0.1564 ( 6184 PWs) bands (ev): -53.8893 -53.8893 -53.8878 -53.8878 -28.2103 -28.2103 -28.2008 -28.2008 -20.5554 -20.5554 -20.5121 -20.5121 -20.4801 -20.4801 -20.4635 -20.4635 -6.1234 -6.1234 -5.8971 -5.8971 -4.5078 -4.5078 -4.0503 -4.0503 -3.4228 -3.4228 -2.7396 -2.7396 3.2592 3.2592 3.2935 3.2935 3.7014 3.7014 3.8662 3.8662 4.2612 4.2612 4.5183 4.5183 4.7975 4.7975 4.8993 4.8993 5.1740 5.1740 5.6491 5.6491 6.0227 6.0227 6.2059 6.2059 6.9562 6.9562 7.2073 7.2073 8.1715 8.1715 8.7466 8.7466 8.9570 8.9570 9.1290 9.1290 10.1261 10.1261 10.2022 10.2022 10.3596 10.3596 10.9028 10.9028 k = 0.2045 0.3530 0.1564 ( 6180 PWs) bands (ev): -53.8891 -53.8891 -53.8876 -53.8876 -28.2109 -28.2109 -28.2015 -28.2015 -20.5568 -20.5568 -20.5152 -20.5152 -20.4814 -20.4814 -20.4644 -20.4644 -6.1074 -6.1074 -5.8828 -5.8828 -4.4875 -4.4875 -4.0444 -4.0444 -3.4107 -3.4107 -2.7381 -2.7381 3.2871 3.2871 3.3120 3.3120 3.6909 3.6909 3.7913 3.7913 4.2338 4.2338 4.4779 4.4779 4.7634 4.7634 4.8983 4.8983 5.1754 5.1754 5.5933 5.5933 5.9766 5.9766 6.2017 6.2017 6.9376 6.9376 7.2188 7.2188 8.1259 8.1259 8.7565 8.7565 8.9723 8.9723 9.1425 9.1425 10.1176 10.1176 10.2102 10.2102 10.3819 10.3819 10.9558 10.9558 k = 0.2159 0.3530 0.1564 ( 6182 PWs) bands (ev): -53.8890 -53.8890 -53.8875 -53.8875 -28.2115 -28.2115 -28.2023 -28.2023 -20.5585 -20.5585 -20.5186 -20.5186 -20.4825 -20.4825 -20.4652 -20.4652 -6.0910 -6.0910 -5.8685 -5.8685 -4.4665 -4.4665 -4.0383 -4.0383 -3.3979 -3.3979 -2.7368 -2.7368 3.3075 3.3075 3.3231 3.3231 3.6847 3.6847 3.7249 3.7249 4.2080 4.2080 4.4393 4.4393 4.7254 4.7254 4.8953 4.8953 5.1817 5.1817 5.5430 5.5430 5.9308 5.9308 6.1970 6.1970 6.9169 6.9169 7.2284 7.2284 8.0792 8.0792 8.7532 8.7532 8.9937 8.9937 9.1559 9.1559 10.1091 10.1091 10.2117 10.2117 10.4150 10.4150 11.0104 11.0104 k = 0.2273 0.3530 0.1564 ( 6182 PWs) bands (ev): -53.8888 -53.8888 -53.8874 -53.8874 -28.2121 -28.2121 -28.2031 -28.2031 -20.5604 -20.5604 -20.5223 -20.5223 -20.4833 -20.4833 -20.4658 -20.4658 -6.0743 -6.0743 -5.8542 -5.8542 -4.4448 -4.4448 -4.0319 -4.0319 -3.3844 -3.3844 -2.7359 -2.7359 3.3124 3.3124 3.3260 3.3260 3.6626 3.6626 3.6964 3.6964 4.1842 4.1842 4.4025 4.4025 4.6850 4.6850 4.8901 4.8901 5.1918 5.1918 5.4979 5.4979 5.8863 5.8863 6.1918 6.1918 6.8940 6.8940 7.2351 7.2351 8.0324 8.0324 8.7373 8.7373 9.0212 9.0212 9.1693 9.1693 10.1028 10.1028 10.2097 10.2097 10.4549 10.4549 11.0645 11.0645 k = 0.2386 0.3530 0.1564 ( 6180 PWs) bands (ev): -53.8886 -53.8886 -53.8873 -53.8873 -28.2127 -28.2127 -28.2039 -28.2039 -20.5624 -20.5624 -20.5261 -20.5261 -20.4838 -20.4838 -20.4663 -20.4663 -6.0571 -6.0571 -5.8401 -5.8401 -4.4226 -4.4226 -4.0253 -4.0253 -3.3703 -3.3703 -2.7354 -2.7354 3.2997 3.2997 3.3131 3.3131 3.6326 3.6326 3.7075 3.7075 4.1626 4.1626 4.3676 4.3676 4.6436 4.6436 4.8827 4.8827 5.2045 5.2045 5.4575 5.4575 5.8441 5.8441 6.1861 6.1861 6.8689 6.8689 7.2383 7.2383 7.9864 7.9864 8.7109 8.7109 9.0531 9.0531 9.1826 9.1826 10.0995 10.0995 10.2074 10.2074 10.4982 10.4982 11.1169 11.1169 k = 0.2500 0.3530 0.1564 ( 6186 PWs) bands (ev): -53.8885 -53.8885 -53.8872 -53.8872 -28.2134 -28.2134 -28.2048 -28.2048 -20.5647 -20.5647 -20.5302 -20.5302 -20.4842 -20.4842 -20.4667 -20.4667 -6.0398 -6.0398 -5.8263 -5.8263 -4.3998 -4.3998 -4.0184 -4.0184 -3.3556 -3.3556 -2.7354 -2.7354 3.2719 3.2719 3.2785 3.2785 3.6273 3.6273 3.7289 3.7289 4.1437 4.1437 4.3344 4.3344 4.6021 4.6021 4.8729 4.8729 5.2191 5.2191 5.4211 5.4211 5.8052 5.8052 6.1798 6.1798 6.8417 6.8417 7.2368 7.2368 7.9424 7.9424 8.6762 8.6762 9.0877 9.0877 9.1961 9.1961 10.0993 10.0993 10.2067 10.2067 10.5431 10.5431 11.1662 11.1662 k = 0.2614 0.3530 0.1564 ( 6178 PWs) bands (ev): -53.8883 -53.8883 -53.8871 -53.8871 -28.2140 -28.2140 -28.2056 -28.2056 -20.5671 -20.5671 -20.5344 -20.5344 -20.4843 -20.4843 -20.4670 -20.4670 -6.0222 -6.0222 -5.8128 -5.8128 -4.3765 -4.3765 -4.0114 -4.0114 -3.3402 -3.3402 -2.7360 -2.7360 3.2197 3.2197 3.2395 3.2395 3.6426 3.6426 3.7569 3.7569 4.1279 4.1279 4.3029 4.3029 4.5615 4.5615 4.8610 4.8610 5.2349 5.2349 5.3879 5.3879 5.7705 5.7705 6.1732 6.1732 6.8124 6.8124 7.2298 7.2298 7.9017 7.9017 8.6350 8.6350 9.1234 9.1234 9.2097 9.2097 10.1021 10.1021 10.2086 10.2086 10.5889 10.5889 11.2114 11.2114 k = 0.2727 0.3530 0.1564 ( 6168 PWs) bands (ev): -53.8881 -53.8881 -53.8870 -53.8870 -28.2145 -28.2145 -28.2064 -28.2064 -20.5695 -20.5695 -20.5386 -20.5386 -20.4843 -20.4843 -20.4671 -20.4671 -6.0046 -6.0046 -5.7998 -5.7998 -4.3529 -4.3529 -4.0042 -4.0042 -3.3242 -3.3242 -2.7371 -2.7371 3.1544 3.1544 3.1957 3.1957 3.6701 3.6701 3.7890 3.7890 4.1156 4.1156 4.2729 4.2729 4.5225 4.5225 4.8473 4.8473 5.2512 5.2512 5.3572 5.3572 5.7410 5.7410 6.1661 6.1661 6.7813 6.7813 7.2164 7.2164 7.8654 7.8654 8.5890 8.5890 9.1595 9.1595 9.2235 9.2235 10.1078 10.1078 10.2135 10.2135 10.6352 10.6352 11.2516 11.2516 k = 0.2841 0.3530 0.1564 ( 6166 PWs) bands (ev): -53.8880 -53.8880 -53.8868 -53.8868 -28.2151 -28.2151 -28.2073 -28.2073 -20.5722 -20.5722 -20.5429 -20.5429 -20.4841 -20.4841 -20.4672 -20.4672 -5.9869 -5.9869 -5.7873 -5.7873 -4.3291 -4.3291 -3.9970 -3.9970 -3.3076 -3.3076 -2.7390 -2.7390 3.0846 3.0846 3.1465 3.1465 3.7038 3.7038 3.8228 3.8228 4.1072 4.1072 4.2444 4.2444 4.4858 4.4858 4.8319 4.8319 5.2666 5.2666 5.3293 5.3293 5.7172 5.7172 6.1586 6.1586 6.7486 6.7486 7.1959 7.1959 7.8344 7.8344 8.5393 8.5393 9.1952 9.1952 9.2376 9.2376 10.1162 10.1162 10.2217 10.2217 10.6821 10.6821 11.2860 11.2860 k = 0.2955 0.3530 0.1564 ( 6168 PWs) bands (ev): -53.8878 -53.8878 -53.8867 -53.8867 -28.2156 -28.2156 -28.2081 -28.2081 -20.5748 -20.5748 -20.5473 -20.5473 -20.4838 -20.4838 -20.4673 -20.4673 -5.9692 -5.9692 -5.7755 -5.7755 -4.3051 -4.3051 -3.9898 -3.9898 -3.2905 -3.2905 -2.7415 -2.7415 3.0135 3.0135 3.0933 3.0933 3.7403 3.7403 3.8567 3.8567 4.1033 4.1033 4.2177 4.2177 4.4517 4.4517 4.8152 4.8152 5.2748 5.2748 5.3097 5.3097 5.6993 5.6993 6.1509 6.1509 6.7145 6.7145 7.1681 7.1681 7.8090 7.8090 8.4869 8.4869 9.2296 9.2296 9.2521 9.2521 10.1269 10.1269 10.2329 10.2329 10.7300 10.7300 11.3140 11.3140 k = 0.3068 0.3530 0.1564 ( 6162 PWs) bands (ev): -53.8877 -53.8877 -53.8866 -53.8866 -28.2162 -28.2162 -28.2089 -28.2089 -20.5775 -20.5775 -20.5516 -20.5516 -20.4833 -20.4833 -20.4673 -20.4673 -5.9516 -5.9516 -5.7643 -5.7643 -4.2810 -4.2810 -3.9827 -3.9827 -3.2728 -3.2728 -2.7448 -2.7448 2.9431 2.9431 3.0374 3.0374 3.7772 3.7772 3.8890 3.8890 4.1038 4.1038 4.1930 4.1930 4.4209 4.4209 4.7976 4.7976 5.2601 5.2601 5.3137 5.3137 5.6872 5.6872 6.1429 6.1429 6.6794 6.6794 7.1335 7.1335 7.7892 7.7892 8.4327 8.4327 9.2602 9.2602 9.2695 9.2695 10.1397 10.1397 10.2472 10.2472 10.7791 10.7791 11.3353 11.3353 k = 0.3182 0.3530 0.1564 ( 6162 PWs) bands (ev): -53.8875 -53.8875 -53.8865 -53.8865 -28.2167 -28.2167 -28.2098 -28.2098 -20.5802 -20.5802 -20.5559 -20.5559 -20.4828 -20.4828 -20.4673 -20.4673 -5.9342 -5.9342 -5.7540 -5.7540 -4.2570 -4.2570 -3.9757 -3.9757 -3.2546 -3.2546 -2.7488 -2.7488 2.8744 2.8744 2.9800 2.9800 3.8125 3.8125 3.9193 3.9193 4.1075 4.1075 4.1720 4.1720 4.3937 4.3937 4.7797 4.7797 5.2358 5.2358 5.3280 5.3280 5.6805 5.6805 6.1347 6.1347 6.6435 6.6435 7.0929 7.0929 7.7743 7.7743 8.3775 8.3775 9.2785 9.2785 9.2977 9.2977 10.1544 10.1544 10.2644 10.2644 10.8298 10.8298 11.3500 11.3500 k = 0.3295 0.3530 0.1564 ( 6158 PWs) bands (ev): -53.8873 -53.8873 -53.8864 -53.8864 -28.2172 -28.2172 -28.2106 -28.2106 -20.5828 -20.5828 -20.5601 -20.5601 -20.4822 -20.4822 -20.4673 -20.4673 -5.9170 -5.9170 -5.7444 -5.7444 -4.2332 -4.2332 -3.9690 -3.9690 -3.2359 -3.2359 -2.7538 -2.7538 2.8084 2.8084 2.9218 2.9218 3.8441 3.8441 3.9479 3.9479 4.1088 4.1088 4.1597 4.1597 4.3704 4.3704 4.7619 4.7619 5.2111 5.2111 5.3434 5.3434 5.6787 5.6787 6.1264 6.1264 6.6073 6.6073 7.0474 7.0474 7.7635 7.7635 8.3221 8.3221 9.2935 9.2935 9.3274 9.3274 10.1704 10.1704 10.2843 10.2843 10.8824 10.8824 11.3590 11.3590 k = 0.3409 0.3530 0.1564 ( 6154 PWs) bands (ev): -53.8872 -53.8872 -53.8863 -53.8863 -28.2176 -28.2176 -28.2114 -28.2114 -20.5854 -20.5854 -20.5642 -20.5642 -20.4814 -20.4814 -20.4673 -20.4673 -5.9001 -5.9001 -5.7358 -5.7358 -4.2095 -4.2095 -3.9626 -3.9626 -3.2168 -3.2168 -2.7596 -2.7596 2.7454 2.7454 2.8637 2.8637 3.8703 3.8703 3.9762 3.9762 4.1000 4.1000 4.1621 4.1621 4.3516 4.3516 4.7452 4.7452 5.1880 5.1880 5.3583 5.3583 5.6810 5.6810 6.1180 6.1180 6.5711 6.5711 6.9984 6.9984 7.7558 7.7558 8.2671 8.2671 9.3082 9.3082 9.3553 9.3553 10.1875 10.1875 10.3067 10.3067 10.9369 10.9369 11.3634 11.3634 k = 0.3523 0.3530 0.1564 ( 6150 PWs) bands (ev): -53.8871 -53.8871 -53.8863 -53.8863 -28.2180 -28.2180 -28.2122 -28.2122 -20.5878 -20.5878 -20.5681 -20.5681 -20.4807 -20.4807 -20.4673 -20.4673 -5.8835 -5.8835 -5.7282 -5.7282 -4.1863 -4.1863 -3.9566 -3.9566 -3.1973 -3.1973 -2.7663 -2.7663 2.6859 2.6859 2.8063 2.8063 3.8904 3.8904 4.0044 4.0044 4.0850 4.0850 4.1734 4.1734 4.3376 4.3376 4.7303 4.7303 5.1674 5.1674 5.3720 5.3720 5.6868 5.6868 6.1094 6.1094 6.5353 6.5353 6.9471 6.9471 7.7504 7.7504 8.2130 8.2130 9.3229 9.3229 9.3811 9.3811 10.2054 10.2054 10.3314 10.3314 10.9933 10.9933 11.3646 11.3646 k = 0.3636 0.3530 0.1564 ( 6148 PWs) bands (ev): -53.8869 -53.8869 -53.8862 -53.8862 -28.2183 -28.2183 -28.2129 -28.2129 -20.5901 -20.5901 -20.5719 -20.5719 -20.4799 -20.4799 -20.4673 -20.4673 -5.8674 -5.8674 -5.7215 -5.7215 -4.1635 -4.1635 -3.9512 -3.9512 -3.1775 -3.1775 -2.7740 -2.7740 2.6303 2.6303 2.7504 2.7504 3.9053 3.9053 4.0299 4.0299 4.0713 4.0713 4.1856 4.1856 4.3291 4.3291 4.7179 4.7179 5.1501 5.1501 5.3842 5.3842 5.6955 5.6955 6.1007 6.1007 6.5006 6.5006 6.8944 6.8944 7.7464 7.7464 8.1605 8.1605 9.3374 9.3374 9.4044 9.4044 10.2238 10.2238 10.3577 10.3577 11.0515 11.0515 11.3647 11.3647 k = 0.3750 0.3530 0.1564 ( 6144 PWs) bands (ev): -53.8868 -53.8868 -53.8861 -53.8861 -28.2187 -28.2187 -28.2137 -28.2137 -20.5922 -20.5922 -20.5756 -20.5756 -20.4790 -20.4790 -20.4673 -20.4673 -5.8518 -5.8518 -5.7159 -5.7159 -4.1413 -4.1413 -3.9464 -3.9464 -3.1574 -3.1574 -2.7826 -2.7826 2.5789 2.5789 2.6963 2.6963 3.9168 3.9168 4.0388 4.0388 4.0728 4.0728 4.1951 4.1951 4.3264 4.3264 4.7087 4.7087 5.1366 5.1366 5.3944 5.3944 5.7067 5.7067 6.0917 6.0917 6.4673 6.4673 6.8413 6.8413 7.7435 7.7435 8.1099 8.1099 9.3518 9.3518 9.4250 9.4250 10.2426 10.2426 10.3851 10.3851 11.1106 11.1106 11.3657 11.3657 k = 0.3864 0.3530 0.1564 ( 6142 PWs) bands (ev): -53.8867 -53.8867 -53.8860 -53.8860 -28.2189 -28.2189 -28.2143 -28.2143 -20.5942 -20.5942 -20.5791 -20.5791 -20.4782 -20.4782 -20.4674 -20.4674 -5.8367 -5.8367 -5.7114 -5.7114 -4.1199 -4.1199 -3.9424 -3.9424 -3.1371 -3.1371 -2.7921 -2.7921 2.5319 2.5319 2.6447 2.6447 3.9261 3.9261 4.0293 4.0293 4.0899 4.0899 4.2007 4.2007 4.3299 4.3299 4.7024 4.7024 5.1277 5.1277 5.4022 5.4022 5.7199 5.7199 6.0821 6.0821 6.4363 6.4363 6.7885 6.7885 7.7412 7.7412 8.0619 8.0619 9.3660 9.3660 9.4430 9.4430 10.2617 10.2617 10.4124 10.4124 11.1697 11.1697 11.3705 11.3705 k = 0.3977 0.3530 0.1564 ( 6138 PWs) bands (ev): -53.8865 -53.8865 -53.8860 -53.8860 -28.2192 -28.2192 -28.2150 -28.2150 -20.5959 -20.5959 -20.5823 -20.5823 -20.4773 -20.4773 -20.4675 -20.4675 -5.8221 -5.8221 -5.7079 -5.7079 -4.0992 -4.0992 -3.9392 -3.9392 -3.1166 -3.1166 -2.8026 -2.8026 2.4896 2.4896 2.5960 2.5960 3.9341 3.9341 4.0180 4.0180 4.1046 4.1046 4.2021 4.2021 4.3399 4.3399 4.6985 4.6985 5.1241 5.1241 5.4075 5.4075 5.7347 5.7347 6.0718 6.0718 6.4083 6.4083 6.7368 6.7368 7.7393 7.7393 8.0166 8.0166 9.3800 9.3800 9.4581 9.4581 10.2813 10.2813 10.4385 10.4385 11.2266 11.2266 11.3824 11.3824 k = 0.4091 0.3530 0.1564 ( 6128 PWs) bands (ev): -53.8864 -53.8864 -53.8859 -53.8859 -28.2193 -28.2193 -28.2156 -28.2156 -20.5974 -20.5974 -20.5853 -20.5853 -20.4765 -20.4765 -20.4676 -20.4676 -5.8083 -5.8083 -5.7055 -5.7055 -4.0794 -4.0794 -3.9370 -3.9370 -3.0961 -3.0961 -2.8141 -2.8141 2.4520 2.4520 2.5504 2.5504 3.9415 3.9415 4.0081 4.0081 4.1136 4.1136 4.1992 4.1992 4.3565 4.3565 4.6954 4.6954 5.1263 5.1263 5.4097 5.4097 5.7509 5.7509 6.0602 6.0602 6.3841 6.3841 6.6866 6.6866 7.7380 7.7380 7.9745 7.9745 9.3936 9.3936 9.4704 9.4704 10.3013 10.3013 10.4618 10.4618 11.2781 11.2781 11.4059 11.4059 k = 0.4205 0.3530 0.1564 ( 6128 PWs) bands (ev): -53.8863 -53.8863 -53.8859 -53.8859 -28.2195 -28.2195 -28.2162 -28.2162 -20.5988 -20.5988 -20.5881 -20.5881 -20.4756 -20.4756 -20.4678 -20.4678 -5.7951 -5.7951 -5.7042 -5.7042 -4.0606 -4.0606 -3.9359 -3.9359 -3.0755 -3.0755 -2.8265 -2.8265 2.4195 2.4195 2.5085 2.5085 3.9486 3.9486 4.0002 4.0002 4.1175 4.1175 4.1920 4.1920 4.3790 4.3790 4.6915 4.6915 5.1346 5.1346 5.4087 5.4087 5.7682 5.7682 6.0470 6.0470 6.3646 6.3646 6.6385 6.6385 7.7372 7.7372 7.9358 7.9358 9.4069 9.4069 9.4798 9.4798 10.3218 10.3218 10.4811 10.4811 11.3218 11.3218 11.4440 11.4440 k = 0.4318 0.3530 0.1564 ( 6122 PWs) bands (ev): -53.8862 -53.8862 -53.8858 -53.8858 -28.2196 -28.2196 -28.2167 -28.2167 -20.5998 -20.5998 -20.5907 -20.5907 -20.4748 -20.4748 -20.4680 -20.4680 -5.7826 -5.7826 -5.7040 -5.7040 -4.0429 -4.0429 -3.9359 -3.9359 -3.0549 -3.0549 -2.8399 -2.8399 2.3920 2.3920 2.4705 2.4705 3.9553 3.9553 3.9944 3.9944 4.1180 4.1180 4.1814 4.1814 4.4056 4.4056 4.6854 4.6854 5.1488 5.1488 5.4041 5.4041 5.7865 5.7865 6.0319 6.0319 6.3505 6.3505 6.5928 6.5928 7.7370 7.7370 7.9007 7.9007 9.4196 9.4196 9.4866 9.4866 10.3428 10.3428 10.4953 10.4953 11.3607 11.3607 11.4940 11.4940 k = 0.4432 0.3530 0.1564 ( 6122 PWs) bands (ev): -53.8861 -53.8861 -53.8858 -53.8858 -28.2196 -28.2196 -28.2172 -28.2172 -20.6006 -20.6006 -20.5930 -20.5930 -20.4740 -20.4740 -20.4683 -20.4683 -5.7709 -5.7709 -5.7049 -5.7049 -4.0264 -4.0264 -3.9372 -3.9372 -3.0345 -3.0345 -2.8541 -2.8541 2.3698 2.3698 2.4367 2.4367 3.9617 3.9617 3.9906 3.9906 4.1164 4.1164 4.1686 4.1686 4.4347 4.4347 4.6761 4.6761 5.1683 5.1683 5.3958 5.3958 5.8057 5.8057 6.0149 6.0149 6.3422 6.3422 6.5499 6.5499 7.7378 7.7378 7.8693 7.8693 9.4317 9.4317 9.4908 9.4908 10.3641 10.3641 10.5036 10.5036 11.3999 11.3999 11.5492 11.5492 k = 0.4545 0.3530 0.1564 ( 6120 PWs) bands (ev): -53.8861 -53.8861 -53.8858 -53.8858 -28.2196 -28.2196 -28.2177 -28.2177 -20.6011 -20.6011 -20.5950 -20.5950 -20.4732 -20.4732 -20.4686 -20.4686 -5.7601 -5.7601 -5.7069 -5.7069 -4.0112 -4.0112 -3.9397 -3.9397 -3.0144 -3.0144 -2.8692 -2.8692 2.3528 2.3528 2.4074 2.4074 3.9677 3.9677 3.9885 3.9885 4.1141 4.1141 4.1551 4.1551 4.4649 4.4649 4.6633 4.6633 5.1918 5.1918 5.3838 5.3838 5.8255 5.8255 5.9960 5.9960 6.3400 6.3400 6.5100 6.5100 7.7399 7.7399 7.8417 7.8417 9.4432 9.4432 9.4926 9.4926 10.3856 10.3856 10.5059 10.5059 11.4428 11.4428 11.6037 11.6037 k = 0.4659 0.3530 0.1564 ( 6124 PWs) bands (ev): -53.8860 -53.8860 -53.8858 -53.8858 -28.2196 -28.2196 -28.2181 -28.2181 -20.6014 -20.6014 -20.5968 -20.5968 -20.4725 -20.4725 -20.4690 -20.4690 -5.7501 -5.7501 -5.7100 -5.7100 -3.9973 -3.9973 -3.9436 -3.9436 -2.9944 -2.9944 -2.8851 -2.8851 2.3412 2.3412 2.3827 2.3827 3.9732 3.9732 3.9875 3.9875 4.1121 4.1121 4.1421 4.1421 4.4952 4.4952 4.6470 4.6470 5.2182 5.2182 5.3680 5.3680 5.8460 5.8460 5.9756 5.9756 6.3438 6.3438 6.4737 6.4737 7.7435 7.7435 7.8178 7.8178 9.4538 9.4538 9.4921 9.4921 10.4070 10.4070 10.5025 10.5025 11.4898 11.4898 11.6503 11.6503 k = 0.4773 0.3530 0.1564 ( 6126 PWs) bands (ev): -53.8859 -53.8859 -53.8858 -53.8858 -28.2195 -28.2195 -28.2185 -28.2185 -20.6014 -20.6014 -20.5983 -20.5983 -20.4718 -20.4718 -20.4695 -20.4695 -5.7410 -5.7410 -5.7142 -5.7142 -3.9847 -3.9847 -3.9490 -3.9490 -2.9749 -2.9749 -2.9018 -2.9018 2.3350 2.3350 2.3629 2.3629 3.9779 3.9779 3.9870 3.9870 4.1111 4.1111 4.1307 4.1307 4.5249 4.5249 4.6275 4.6275 5.2460 5.2460 5.3487 5.3487 5.8671 5.8671 5.9543 5.9543 6.3533 6.3533 6.4410 6.4410 7.7491 7.7491 7.7976 7.7976 9.4635 9.4635 9.4897 9.4897 10.4278 10.4278 10.4941 10.4941 11.5398 11.5398 11.6770 11.6770 k = 0.4886 0.3530 0.1564 ( 6122 PWs) bands (ev): -53.8859 -53.8859 -53.8858 -53.8858 -28.2193 -28.2193 -28.2188 -28.2188 -20.6010 -20.6010 -20.5995 -20.5995 -20.4711 -20.4711 -20.4700 -20.4700 -5.7328 -5.7328 -5.7194 -5.7194 -3.9736 -3.9736 -3.9557 -3.9557 -2.9558 -2.9558 -2.9192 -2.9192 2.3341 2.3341 2.3481 2.3481 3.9817 3.9817 3.9862 3.9862 4.1120 4.1120 4.1216 4.1216 4.5534 4.5534 4.6051 4.6051 5.2740 5.2740 5.3262 5.3262 5.8886 5.8886 5.9324 5.9324 6.3681 6.3681 6.4123 6.4123 7.7570 7.7570 7.7809 7.7809 9.4721 9.4721 9.4853 9.4853 10.4477 10.4477 10.4816 10.4816 11.5903 11.5903 11.6705 11.6705 k = 0.5000 0.3530 0.1564 ( 6128 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2191 -28.2191 -28.2191 -28.2191 -20.6004 -20.6004 -20.6004 -20.6004 -20.4706 -20.4706 -20.4706 -20.4706 -5.7256 -5.7256 -5.7256 -5.7256 -3.9639 -3.9639 -3.9639 -3.9639 -2.9372 -2.9372 -2.9372 -2.9372 2.3385 2.3385 2.3385 2.3385 3.9845 3.9845 3.9845 3.9845 4.1153 4.1153 4.1153 4.1153 4.5803 4.5803 4.5803 4.5803 5.3010 5.3010 5.3010 5.3010 5.9104 5.9104 5.9104 5.9104 6.3879 6.3879 6.3879 6.3879 7.7675 7.7675 7.7675 7.7675 9.4794 9.4794 9.4794 9.4794 10.4658 10.4658 10.4658 10.4658 11.6368 11.6368 11.6368 11.6368 k = 0.5000 0.3530 0.1564 ( 6128 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2191 -28.2191 -28.2191 -28.2191 -20.6004 -20.6004 -20.6004 -20.6004 -20.4706 -20.4706 -20.4706 -20.4706 -5.7256 -5.7256 -5.7256 -5.7256 -3.9639 -3.9639 -3.9639 -3.9639 -2.9372 -2.9372 -2.9372 -2.9372 2.3385 2.3385 2.3385 2.3385 3.9845 3.9845 3.9845 3.9845 4.1153 4.1153 4.1153 4.1153 4.5803 4.5803 4.5803 4.5803 5.3010 5.3010 5.3010 5.3010 5.9104 5.9104 5.9104 5.9104 6.3879 6.3879 6.3879 6.3879 7.7675 7.7675 7.7675 7.7675 9.4794 9.4794 9.4794 9.4794 10.4658 10.4658 10.4658 10.4658 11.6368 11.6368 11.6368 11.6368 k = 0.5000 0.3571 0.1473 ( 6126 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2191 -28.2191 -28.2191 -28.2191 -20.6004 -20.6004 -20.6004 -20.6004 -20.4705 -20.4705 -20.4705 -20.4705 -5.7257 -5.7257 -5.7257 -5.7257 -3.9643 -3.9643 -3.9637 -3.9637 -2.9369 -2.9369 -2.9369 -2.9369 2.3390 2.3390 2.3396 2.3396 3.9763 3.9763 3.9889 3.9889 4.1075 4.1075 4.1232 4.1232 4.5787 4.5787 4.5825 4.5825 5.2990 5.2990 5.3022 5.3022 5.9089 5.9089 5.9124 5.9124 6.3873 6.3873 6.3883 6.3883 7.7686 7.7686 7.7698 7.7698 9.4806 9.4806 9.4807 9.4807 10.4626 10.4626 10.4643 10.4643 11.6377 11.6377 11.6380 11.6380 k = 0.5000 0.3611 0.1381 ( 6118 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2191 -28.2191 -28.2191 -28.2191 -20.6004 -20.6004 -20.6004 -20.6004 -20.4705 -20.4705 -20.4705 -20.4705 -5.7260 -5.7260 -5.7260 -5.7260 -3.9649 -3.9649 -3.9635 -3.9635 -2.9362 -2.9362 -2.9362 -2.9362 2.3413 2.3413 2.3423 2.3423 3.9650 3.9650 3.9883 3.9883 4.1009 4.1009 4.1304 4.1304 4.5776 4.5776 4.5851 4.5851 5.2963 5.2963 5.3025 5.3025 5.9079 5.9079 5.9148 5.9148 6.3864 6.3864 6.3884 6.3884 7.7732 7.7732 7.7755 7.7755 9.4843 9.4843 9.4844 9.4844 10.4546 10.4546 10.4580 10.4580 11.6408 11.6408 11.6412 11.6412 k = 0.5000 0.3652 0.1290 ( 6114 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2191 -28.2191 -28.2190 -28.2190 -20.6004 -20.6004 -20.6003 -20.6003 -20.4705 -20.4705 -20.4705 -20.4705 -5.7265 -5.7265 -5.7264 -5.7264 -3.9655 -3.9655 -3.9635 -3.9635 -2.9350 -2.9350 -2.9350 -2.9350 2.3451 2.3451 2.3467 2.3467 3.9508 3.9508 3.9814 3.9814 4.0972 4.0972 4.1368 4.1368 4.5769 4.5769 4.5880 4.5880 5.2928 5.2928 5.3019 5.3019 5.9073 5.9073 5.9174 5.9174 6.3853 6.3853 6.3884 6.3884 7.7813 7.7813 7.7845 7.7845 9.4904 9.4904 9.4905 9.4905 10.4419 10.4419 10.4471 10.4471 11.6457 11.6457 11.6464 11.6464 k = 0.5000 0.3692 0.1198 ( 6118 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2191 -28.2191 -28.2190 -28.2190 -20.6004 -20.6004 -20.6003 -20.6003 -20.4705 -20.4705 -20.4705 -20.4705 -5.7271 -5.7271 -5.7271 -5.7271 -3.9663 -3.9663 -3.9636 -3.9636 -2.9333 -2.9333 -2.9332 -2.9332 2.3505 2.3505 2.3527 2.3527 3.9337 3.9337 3.9673 3.9673 4.0973 4.0973 4.1427 4.1427 4.5768 4.5768 4.5913 4.5913 5.2886 5.2886 5.3002 5.3002 5.9072 5.9072 5.9203 5.9203 6.3839 6.3839 6.3880 6.3880 7.7927 7.7927 7.7968 7.7968 9.4989 9.4989 9.4990 9.4990 10.4248 10.4248 10.4318 10.4318 11.6525 11.6525 11.6536 11.6536 k = 0.5000 0.3733 0.1107 ( 6116 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2191 -28.2191 -28.2190 -28.2190 -20.6005 -20.6005 -20.6003 -20.6003 -20.4705 -20.4705 -20.4705 -20.4705 -5.7280 -5.7280 -5.7280 -5.7280 -3.9673 -3.9673 -3.9639 -3.9639 -2.9311 -2.9311 -2.9310 -2.9310 2.3576 2.3576 2.3603 2.3603 3.9136 3.9136 3.9467 3.9467 4.1012 4.1012 4.1483 4.1483 4.5770 4.5770 4.5948 4.5948 5.2838 5.2838 5.2975 5.2975 5.9074 5.9074 5.9233 5.9233 6.3821 6.3821 6.3874 6.3874 7.8075 7.8075 7.8123 7.8123 9.5098 9.5098 9.5099 9.5099 10.4034 10.4034 10.4123 10.4123 11.6607 11.6607 11.6623 11.6623 k = 0.5000 0.3733 0.1107 ( 6116 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2191 -28.2191 -28.2190 -28.2190 -20.6005 -20.6005 -20.6003 -20.6003 -20.4705 -20.4705 -20.4705 -20.4705 -5.7280 -5.7280 -5.7280 -5.7280 -3.9673 -3.9673 -3.9639 -3.9639 -2.9311 -2.9311 -2.9310 -2.9310 2.3576 2.3576 2.3603 2.3603 3.9136 3.9136 3.9467 3.9467 4.1012 4.1012 4.1483 4.1483 4.5770 4.5770 4.5948 4.5948 5.2838 5.2838 5.2975 5.2975 5.9074 5.9074 5.9233 5.9233 6.3821 6.3821 6.3874 6.3874 7.8075 7.8075 7.8123 7.8123 9.5098 9.5098 9.5099 9.5099 10.4034 10.4034 10.4123 10.4123 11.6607 11.6607 11.6623 11.6623 k = 0.5000 0.3718 0.0995 ( 6122 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2191 -28.2191 -28.2191 -28.2191 -20.6005 -20.6005 -20.6003 -20.6003 -20.4705 -20.4705 -20.4705 -20.4705 -5.7277 -5.7277 -5.7276 -5.7276 -3.9670 -3.9670 -3.9638 -3.9638 -2.9322 -2.9322 -2.9321 -2.9321 2.3672 2.3672 2.3702 2.3702 3.8733 3.8733 3.9129 3.9129 4.1086 4.1086 4.1605 4.1605 4.5898 4.5898 4.6116 4.6116 5.2804 5.2804 5.2968 5.2968 5.9044 5.9044 5.9210 5.9210 6.3840 6.3840 6.3879 6.3879 7.8378 7.8378 7.8419 7.8419 9.5045 9.5045 9.5049 9.5049 10.3734 10.3734 10.3798 10.3798 11.6683 11.6683 11.6721 11.6721 k = 0.5000 0.3704 0.0884 ( 6120 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2191 -28.2191 -28.2191 -28.2191 -20.6005 -20.6005 -20.6003 -20.6003 -20.4705 -20.4705 -20.4705 -20.4705 -5.7273 -5.7273 -5.7273 -5.7273 -3.9667 -3.9667 -3.9638 -3.9638 -2.9332 -2.9332 -2.9331 -2.9331 2.3789 2.3789 2.3822 2.3822 3.8306 3.8306 3.8718 3.8718 4.1185 4.1185 4.1697 4.1697 4.6067 4.6067 4.6326 4.6326 5.2744 5.2744 5.2935 5.2935 5.9010 5.9010 5.9179 5.9179 6.3866 6.3866 6.3893 6.3893 7.8729 7.8729 7.8764 7.8764 9.4996 9.4996 9.5002 9.5002 10.3373 10.3373 10.3416 10.3416 11.6742 11.6742 11.6837 11.6837 k = 0.5000 0.3689 0.0772 ( 6118 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2191 -28.2191 -28.2190 -28.2190 -20.6005 -20.6005 -20.6003 -20.6003 -20.4705 -20.4705 -20.4705 -20.4705 -5.7270 -5.7270 -5.7269 -5.7269 -3.9664 -3.9664 -3.9638 -3.9638 -2.9341 -2.9341 -2.9341 -2.9341 2.3927 2.3927 2.3961 2.3961 3.7867 3.7867 3.8270 3.8270 4.1281 4.1281 4.1762 4.1762 4.6272 4.6272 4.6571 4.6571 5.2659 5.2659 5.2875 5.2875 5.8974 5.8974 5.9143 5.9143 6.3899 6.3899 6.3914 6.3914 7.9123 7.9123 7.9151 7.9151 9.4950 9.4950 9.4958 9.4958 10.2962 10.2962 10.2986 10.2986 11.6800 11.6800 11.6952 11.6952 k = 0.5000 0.3675 0.0660 ( 6118 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2191 -28.2191 -28.2191 -28.2191 -20.6004 -20.6004 -20.6003 -20.6003 -20.4705 -20.4705 -20.4705 -20.4705 -5.7267 -5.7267 -5.7266 -5.7266 -3.9662 -3.9662 -3.9638 -3.9638 -2.9351 -2.9351 -2.9350 -2.9350 2.4081 2.4081 2.4117 2.4117 3.7424 3.7424 3.7807 3.7807 4.1364 4.1364 4.1802 4.1802 4.6508 4.6508 4.6842 4.6842 5.2549 5.2549 5.2789 5.2789 5.8939 5.8939 5.9104 5.9104 6.3936 6.3936 6.3942 6.3942 7.9550 7.9550 7.9572 7.9572 9.4908 9.4908 9.4918 9.4918 10.2508 10.2508 10.2516 10.2516 11.6856 11.6856 11.7063 11.7063 k = 0.5000 0.3660 0.0548 ( 6116 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2191 -28.2191 -28.2190 -28.2190 -20.6004 -20.6004 -20.6003 -20.6003 -20.4705 -20.4705 -20.4705 -20.4705 -5.7264 -5.7264 -5.7264 -5.7264 -3.9660 -3.9660 -3.9639 -3.9639 -2.9359 -2.9359 -2.9359 -2.9359 2.4249 2.4249 2.4287 2.4287 3.6986 3.6986 3.7342 3.7342 4.1432 4.1432 4.1822 4.1822 4.6770 4.6770 4.7133 4.7133 5.2414 5.2414 5.2676 5.2676 5.8906 5.8906 5.9064 5.9064 6.3975 6.3975 6.3975 6.3975 8.0002 8.0002 8.0018 8.0018 9.4870 9.4870 9.4882 9.4882 10.2020 10.2020 10.2024 10.2024 11.6911 11.6911 11.7165 11.7165 k = 0.5000 0.3646 0.0437 ( 6126 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2191 -28.2191 -28.2191 -28.2191 -20.6005 -20.6005 -20.6004 -20.6004 -20.4705 -20.4705 -20.4705 -20.4705 -5.7262 -5.7262 -5.7261 -5.7261 -3.9658 -3.9658 -3.9639 -3.9639 -2.9367 -2.9367 -2.9367 -2.9367 2.4426 2.4426 2.4465 2.4465 3.6561 3.6561 3.6885 3.6885 4.1485 4.1485 4.1827 4.1827 4.7051 4.7051 4.7437 4.7437 5.2255 5.2255 5.2538 5.2538 5.8877 5.8877 5.9024 5.9024 6.4009 6.4009 6.4015 6.4015 8.0467 8.0467 8.0479 8.0479 9.4837 9.4837 9.4851 9.4851 10.1508 10.1508 10.1522 10.1522 11.6965 11.6965 11.7255 11.7255 k = 0.5000 0.3631 0.0325 ( 6122 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2191 -28.2191 -28.2191 -28.2191 -20.6004 -20.6004 -20.6004 -20.6004 -20.4705 -20.4705 -20.4705 -20.4705 -5.7260 -5.7260 -5.7259 -5.7259 -3.9656 -3.9656 -3.9640 -3.9640 -2.9374 -2.9374 -2.9374 -2.9374 2.4608 2.4608 2.4647 2.4647 3.6156 3.6156 3.6446 3.6446 4.1527 4.1527 4.1820 4.1820 4.7347 4.7347 4.7747 4.7747 5.2076 5.2076 5.2376 5.2376 5.8853 5.8853 5.8986 5.8986 6.4045 6.4045 6.4054 6.4054 8.0934 8.0934 8.0942 8.0942 9.4808 9.4808 9.4823 9.4823 10.0996 10.0996 10.1016 10.1016 11.7018 11.7018 11.7328 11.7328 k = 0.5000 0.3617 0.0213 ( 6126 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2191 -28.2191 -28.2191 -28.2191 -20.6005 -20.6005 -20.6004 -20.6004 -20.4705 -20.4705 -20.4705 -20.4705 -5.7258 -5.7258 -5.7257 -5.7257 -3.9655 -3.9655 -3.9641 -3.9641 -2.9381 -2.9381 -2.9380 -2.9380 2.4789 2.4789 2.4827 2.4827 3.5780 3.5780 3.6034 3.6034 4.1559 4.1559 4.1806 4.1806 4.7651 4.7651 4.8057 4.8057 5.1881 5.1881 5.2194 5.2194 5.8834 5.8834 5.8951 5.8951 6.4079 6.4079 6.4090 6.4090 8.1388 8.1388 8.1393 8.1393 9.4785 9.4785 9.4800 9.4800 10.0499 10.0499 10.0523 10.0523 11.7070 11.7070 11.7382 11.7382 k = 0.5000 0.3602 0.0101 ( 6118 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2191 -28.2191 -28.2191 -28.2191 -20.6004 -20.6004 -20.6004 -20.6004 -20.4705 -20.4705 -20.4705 -20.4705 -5.7256 -5.7256 -5.7256 -5.7256 -3.9653 -3.9653 -3.9642 -3.9642 -2.9386 -2.9386 -2.9386 -2.9386 2.4962 2.4962 2.4998 2.4998 3.5443 3.5443 3.5659 3.5659 4.1585 4.1585 4.1788 4.1788 4.7957 4.7957 4.8359 4.8359 5.1675 5.1675 5.1994 5.1994 5.8820 5.8820 5.8920 5.8920 6.4111 6.4111 6.4123 6.4123 8.1815 8.1815 8.1818 8.1818 9.4766 9.4766 9.4781 9.4781 10.0033 10.0033 10.0058 10.0058 11.7121 11.7121 11.7417 11.7417 k = 0.5000 0.3588-0.0010 ( 6120 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2191 -28.2191 -28.2191 -28.2191 -20.6004 -20.6004 -20.6004 -20.6004 -20.4705 -20.4705 -20.4705 -20.4705 -5.7255 -5.7255 -5.7254 -5.7254 -3.9652 -3.9652 -3.9643 -3.9643 -2.9391 -2.9391 -2.9390 -2.9390 2.5120 2.5120 2.5152 2.5152 3.5153 3.5153 3.5329 3.5329 4.1606 4.1606 4.1766 4.1766 4.8260 4.8260 4.8643 4.8643 5.1469 5.1469 5.1782 5.1782 5.8811 5.8811 5.8892 5.8892 6.4139 6.4139 6.4150 6.4150 8.2198 8.2198 8.2199 8.2199 9.4752 9.4752 9.4766 9.4766 9.9616 9.9616 9.9639 9.9639 11.7173 11.7173 11.7433 11.7433 k = 0.5000 0.3573-0.0122 ( 6118 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2191 -28.2191 -28.2191 -28.2191 -20.6004 -20.6004 -20.6004 -20.6004 -20.4705 -20.4705 -20.4705 -20.4705 -5.7254 -5.7254 -5.7253 -5.7253 -3.9651 -3.9651 -3.9644 -3.9644 -2.9394 -2.9394 -2.9394 -2.9394 2.5256 2.5256 2.5282 2.5282 3.4920 3.4920 3.5055 3.5055 4.1625 4.1625 4.1744 4.1744 4.8548 4.8548 4.8893 4.8893 5.1277 5.1277 5.1567 5.1567 5.8807 5.8807 5.8869 5.8869 6.4162 6.4162 6.4172 6.4172 8.2520 8.2520 8.2520 8.2520 9.4743 9.4743 9.4755 9.4755 9.9266 9.9266 9.9286 9.9286 11.7223 11.7223 11.7433 11.7433 k = 0.5000 0.3559-0.0234 ( 6118 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2191 -28.2191 -28.2191 -28.2191 -20.6004 -20.6004 -20.6004 -20.6004 -20.4705 -20.4705 -20.4705 -20.4705 -5.7253 -5.7253 -5.7253 -5.7253 -3.9649 -3.9649 -3.9645 -3.9645 -2.9397 -2.9397 -2.9397 -2.9397 2.5362 2.5362 2.5380 2.5380 3.4754 3.4754 3.4844 3.4844 4.1643 4.1643 4.1721 4.1721 4.8810 4.8810 4.9083 4.9083 5.1125 5.1125 5.1361 5.1361 5.8808 5.8808 5.8849 5.8849 6.4180 6.4180 6.4187 6.4187 8.2764 8.2764 8.2764 8.2764 9.4738 9.4738 9.4747 9.4747 9.9002 9.9002 9.9017 9.9017 11.7271 11.7271 11.7418 11.7418 k = 0.5000 0.3545-0.0345 ( 6118 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2191 -28.2191 -28.2191 -28.2191 -20.6004 -20.6004 -20.6004 -20.6004 -20.4705 -20.4705 -20.4705 -20.4705 -5.7252 -5.7252 -5.7252 -5.7252 -3.9648 -3.9648 -3.9646 -3.9646 -2.9398 -2.9398 -2.9398 -2.9398 2.5430 2.5430 2.5440 2.5440 3.4659 3.4659 3.4705 3.4705 4.1661 4.1661 4.1700 4.1700 4.9024 4.9024 4.9180 4.9180 5.1047 5.1047 5.1184 5.1184 5.8812 5.8812 5.8833 5.8833 6.4192 6.4192 6.4195 6.4195 8.2917 8.2917 8.2917 8.2917 9.4736 9.4736 9.4741 9.4741 9.8839 9.8839 9.8846 9.8846 11.7316 11.7317 11.7392 11.7392 k = 0.5000 0.3530-0.0457 ( 6120 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2191 -28.2191 -28.2191 -28.2191 -20.6004 -20.6004 -20.6004 -20.6004 -20.4705 -20.4705 -20.4705 -20.4705 -5.7252 -5.7252 -5.7252 -5.7252 -3.9647 -3.9647 -3.9647 -3.9647 -2.9399 -2.9399 -2.9399 -2.9399 2.5457 2.5457 2.5457 2.5457 3.4643 3.4643 3.4643 3.4643 4.1680 4.1680 4.1680 4.1680 4.9158 4.9158 4.9158 4.9158 5.1069 5.1069 5.1069 5.1069 5.8821 5.8821 5.8821 5.8821 6.4197 6.4197 6.4197 6.4197 8.2969 8.2969 8.2969 8.2969 9.4738 9.4738 9.4738 9.4738 9.8786 9.8786 9.8786 9.8786 11.7357 11.7357 11.7357 11.7357 k = 0.5000 0.3530-0.0457 ( 6120 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2191 -28.2191 -28.2191 -28.2191 -20.6004 -20.6004 -20.6004 -20.6004 -20.4705 -20.4705 -20.4705 -20.4705 -5.7252 -5.7252 -5.7252 -5.7252 -3.9647 -3.9647 -3.9647 -3.9647 -2.9399 -2.9399 -2.9399 -2.9399 2.5457 2.5457 2.5457 2.5457 3.4643 3.4643 3.4643 3.4643 4.1680 4.1680 4.1680 4.1680 4.9158 4.9158 4.9158 4.9158 5.1069 5.1069 5.1069 5.1069 5.8821 5.8821 5.8821 5.8821 6.4197 6.4197 6.4197 6.4197 8.2969 8.2969 8.2969 8.2969 9.4738 9.4738 9.4738 9.4738 9.8786 9.8786 9.8786 9.8786 11.7357 11.7357 11.7357 11.7357 k = 0.4886 0.3530-0.0457 ( 6126 PWs) bands (ev): -53.8859 -53.8859 -53.8858 -53.8858 -28.2193 -28.2193 -28.2188 -28.2188 -20.6010 -20.6010 -20.5995 -20.5995 -20.4712 -20.4712 -20.4700 -20.4700 -5.7317 -5.7317 -5.7197 -5.7197 -3.9743 -3.9743 -3.9566 -3.9566 -2.9579 -2.9579 -2.9223 -2.9223 2.5359 2.5359 2.5595 2.5595 3.4626 3.4626 3.4665 3.4665 4.1449 4.1449 4.1925 4.1925 4.9132 4.9132 4.9181 4.9181 5.1002 5.1002 5.1161 5.1161 5.8596 5.8596 5.9055 5.9055 6.4121 6.4121 6.4253 6.4253 8.2677 8.2677 8.3238 8.3238 9.4696 9.4696 9.4771 9.4771 9.8662 9.8662 9.8954 9.8954 11.7070 11.7070 11.7561 11.7561 k = 0.4773 0.3530-0.0457 ( 6126 PWs) bands (ev): -53.8860 -53.8860 -53.8858 -53.8858 -28.2195 -28.2195 -28.2185 -28.2185 -20.6014 -20.6014 -20.5983 -20.5983 -20.4718 -20.4718 -20.4695 -20.4695 -5.7393 -5.7393 -5.7152 -5.7152 -3.9854 -3.9854 -3.9500 -3.9500 -2.9764 -2.9764 -2.9051 -2.9051 2.5305 2.5305 2.5772 2.5772 3.4615 3.4615 3.4691 3.4691 4.1234 4.1234 4.2180 4.2180 4.9099 4.9099 4.9202 4.9202 5.0961 5.0961 5.1277 5.1277 5.8385 5.8385 5.9297 5.9297 6.4024 6.4024 6.4290 6.4290 8.2366 8.2366 8.3480 8.3480 9.4647 9.4647 9.4793 9.4793 9.8579 9.8579 9.9168 9.9168 11.6735 11.6735 11.7617 11.7617 k = 0.4659 0.3530-0.0457 ( 6134 PWs) bands (ev): -53.8860 -53.8860 -53.8858 -53.8858 -28.2196 -28.2196 -28.2182 -28.2182 -20.6014 -20.6014 -20.5969 -20.5969 -20.4725 -20.4725 -20.4691 -20.4691 -5.7478 -5.7478 -5.7117 -5.7117 -3.9979 -3.9979 -3.9448 -3.9448 -2.9954 -2.9954 -2.8885 -2.8885 2.5293 2.5293 2.5986 2.5986 3.4609 3.4609 3.4724 3.4724 4.1038 4.1038 4.2442 4.2442 4.9059 4.9059 4.9225 4.9225 5.0944 5.0944 5.1418 5.1418 5.8190 5.8190 5.9543 5.9543 6.3906 6.3906 6.4312 6.4312 8.2037 8.2037 8.3695 8.3695 9.4591 9.4591 9.4805 9.4805 9.8536 9.8536 9.9429 9.9429 11.6370 11.6370 11.7470 11.7470 k = 0.4545 0.3530-0.0457 ( 6134 PWs) bands (ev): -53.8861 -53.8861 -53.8858 -53.8858 -28.2196 -28.2196 -28.2178 -28.2178 -20.6011 -20.6011 -20.5951 -20.5951 -20.4732 -20.4732 -20.4687 -20.4687 -5.7573 -5.7573 -5.7092 -5.7092 -4.0118 -4.0118 -3.9411 -3.9411 -3.0147 -3.0147 -2.8723 -2.8723 2.5327 2.5327 2.6233 2.6233 3.4608 3.4608 3.4762 3.4762 4.0862 4.0862 4.2708 4.2708 4.9010 4.9010 4.9252 4.9252 5.0950 5.0950 5.1580 5.1580 5.8016 5.8016 5.9791 5.9791 6.3768 6.3768 6.4320 6.4320 8.1697 8.1697 8.3882 8.3882 9.4530 9.4530 9.4803 9.4803 9.8528 9.8528 9.9736 9.9736 11.5974 11.5974 11.7149 11.7149 k = 0.4432 0.3530-0.0457 ( 6142 PWs) bands (ev): -53.8862 -53.8862 -53.8858 -53.8858 -28.2197 -28.2197 -28.2174 -28.2174 -20.6006 -20.6006 -20.5931 -20.5931 -20.4740 -20.4740 -20.4684 -20.4684 -5.7678 -5.7678 -5.7076 -5.7076 -4.0271 -4.0271 -3.9387 -3.9387 -3.0345 -3.0345 -2.8566 -2.8566 2.5406 2.5406 2.6512 2.6512 3.4612 3.4612 3.4806 3.4806 4.0707 4.0707 4.2972 4.2972 4.8952 4.8952 4.9283 4.9283 5.0982 5.0982 5.1758 5.1758 5.7868 5.7868 6.0038 6.0038 6.3613 6.3613 6.4321 6.4321 8.1349 8.1349 8.4039 8.4039 9.4465 9.4465 9.4787 9.4787 9.8551 9.8551 10.0088 10.0088 11.5541 11.5541 11.6730 11.6730 k = 0.4318 0.3530-0.0457 ( 6142 PWs) bands (ev): -53.8863 -53.8863 -53.8859 -53.8859 -28.2196 -28.2196 -28.2169 -28.2169 -20.5998 -20.5998 -20.5908 -20.5908 -20.4748 -20.4748 -20.4681 -20.4681 -5.7792 -5.7792 -5.7071 -5.7071 -4.0436 -4.0436 -3.9375 -3.9375 -3.0548 -3.0548 -2.8416 -2.8416 2.5530 2.5530 2.6819 2.6819 3.4620 3.4620 3.4857 3.4857 4.0575 4.0575 4.3231 4.3231 4.8887 4.8887 4.9319 4.9319 5.1041 5.1041 5.1947 5.1947 5.7750 5.7750 6.0282 6.0282 6.3443 6.3443 6.4319 6.4319 8.0997 8.0997 8.4168 8.4168 9.4396 9.4396 9.4755 9.4755 9.8603 9.8603 10.0481 10.0481 11.5054 11.5054 11.6278 11.6278 k = 0.4205 0.3530-0.0457 ( 6144 PWs) bands (ev): -53.8863 -53.8863 -53.8859 -53.8859 -28.2195 -28.2195 -28.2164 -28.2164 -20.5988 -20.5988 -20.5883 -20.5883 -20.4756 -20.4756 -20.4679 -20.4679 -5.7916 -5.7916 -5.7076 -5.7076 -4.0613 -4.0613 -3.9375 -3.9375 -3.0754 -3.0754 -2.8271 -2.8271 2.5700 2.5700 2.7151 2.7151 3.4634 3.4634 3.4915 3.4915 4.0465 4.0465 4.3479 4.3479 4.8815 4.8815 4.9357 4.9357 5.1128 5.1128 5.2139 5.2139 5.7670 5.7670 6.0520 6.0520 6.3262 6.3262 6.4319 6.4319 8.0647 8.0647 8.4270 8.4270 9.4325 9.4325 9.4705 9.4705 9.8680 9.8680 10.0912 10.0912 11.4501 11.4501 11.5836 11.5836 k = 0.4091 0.3530-0.0457 ( 6142 PWs) bands (ev): -53.8864 -53.8864 -53.8859 -53.8859 -28.2193 -28.2193 -28.2158 -28.2158 -20.5974 -20.5974 -20.5855 -20.5855 -20.4764 -20.4764 -20.4677 -20.4677 -5.8048 -5.8048 -5.7090 -5.7090 -4.0800 -4.0800 -3.9386 -3.9386 -3.0965 -3.0965 -2.8132 -2.8132 2.5915 2.5915 2.7502 2.7502 3.4653 3.4653 3.4981 3.4981 4.0377 4.0377 4.3711 4.3711 4.8742 4.8742 4.9397 4.9397 5.1245 5.1245 5.2328 5.2328 5.7633 5.7633 6.0749 6.0749 6.3074 6.3074 6.4328 6.4328 8.0303 8.0303 8.4347 8.4347 9.4251 9.4251 9.4638 9.4638 9.8780 9.8780 10.1376 10.1376 11.3881 11.3881 11.5422 11.5422 k = 0.3977 0.3530-0.0457 ( 6152 PWs) bands (ev): -53.8866 -53.8866 -53.8860 -53.8860 -28.2192 -28.2192 -28.2152 -28.2152 -20.5959 -20.5959 -20.5824 -20.5824 -20.4773 -20.4773 -20.4675 -20.4675 -5.8189 -5.8189 -5.7113 -5.7113 -4.0996 -4.0996 -3.9407 -3.9407 -3.1180 -3.1180 -2.8000 -2.8000 2.6174 2.6174 2.7869 2.7869 3.4677 3.4677 3.5056 3.5056 4.0310 4.0310 4.3922 4.3922 4.8668 4.8668 4.9436 4.9436 5.1394 5.1394 5.2506 5.2506 5.7643 5.7643 6.0967 6.0967 6.2887 6.2887 6.4353 6.4353 7.9969 7.9969 8.4399 8.4399 9.4174 9.4174 9.4551 9.4551 9.8898 9.8898 10.1868 10.1868 11.3208 11.3208 11.5036 11.5036 k = 0.3864 0.3530-0.0457 ( 6150 PWs) bands (ev): -53.8867 -53.8867 -53.8860 -53.8860 -28.2189 -28.2189 -28.2145 -28.2145 -20.5941 -20.5941 -20.5792 -20.5792 -20.4782 -20.4782 -20.4674 -20.4674 -5.8338 -5.8338 -5.7145 -5.7145 -4.1200 -4.1200 -3.9436 -3.9436 -3.1399 -3.1399 -2.7875 -2.7875 2.6476 2.6476 2.8247 2.8247 3.4706 3.4706 3.5142 3.5142 4.0262 4.0262 4.4106 4.4106 4.8598 4.8598 4.9474 4.9474 5.1574 5.1574 5.2667 5.2667 5.7707 5.7707 6.1170 6.1170 6.2705 6.2705 6.4401 6.4401 7.9649 7.9649 8.4430 8.4430 9.4096 9.4096 9.4446 9.4446 9.9032 9.9032 10.2380 10.2380 11.2499 11.2499 11.4669 11.4669 k = 0.3750 0.3530-0.0457 ( 6154 PWs) bands (ev): -53.8868 -53.8868 -53.8861 -53.8861 -28.2186 -28.2186 -28.2138 -28.2138 -20.5922 -20.5922 -20.5757 -20.5757 -20.4790 -20.4790 -20.4674 -20.4674 -5.8495 -5.8495 -5.7187 -5.7187 -4.1411 -4.1411 -3.9473 -3.9473 -3.1621 -3.1621 -2.7758 -2.7758 2.6820 2.6820 2.8630 2.8630 3.4742 3.4742 3.5240 3.5240 4.0231 4.0231 4.4261 4.4261 4.8536 4.8536 4.9511 4.9511 5.1782 5.1782 5.2809 5.2809 5.7823 5.7823 6.1355 6.1355 6.2537 6.2537 6.4478 6.4478 7.9348 7.9348 8.4441 8.4441 9.4015 9.4015 9.4321 9.4321 9.9181 9.9181 10.2905 10.2905 11.1769 11.1769 11.4312 11.4312 k = 0.3636 0.3530-0.0457 ( 6156 PWs) bands (ev): -53.8869 -53.8869 -53.8862 -53.8862 -28.2183 -28.2183 -28.2131 -28.2131 -20.5900 -20.5900 -20.5720 -20.5720 -20.4799 -20.4799 -20.4673 -20.4673 -5.8659 -5.8659 -5.7237 -5.7237 -4.1627 -4.1627 -3.9517 -3.9517 -3.1846 -3.1846 -2.7647 -2.7647 2.7204 2.7204 2.9011 2.9011 3.4786 3.4786 3.5353 3.5353 4.0214 4.0214 4.4381 4.4381 4.8484 4.8484 4.9547 4.9547 5.2013 5.2013 5.2933 5.2933 5.7990 5.7990 6.1519 6.1519 6.2391 6.2391 6.4591 6.4591 7.9069 7.9069 8.4435 8.4435 9.3931 9.3931 9.4177 9.4177 9.9340 9.9340 10.3435 10.3435 11.1031 11.1031 11.3958 11.3958 k = 0.3523 0.3530-0.0457 ( 6156 PWs) bands (ev): -53.8871 -53.8871 -53.8862 -53.8862 -28.2179 -28.2179 -28.2123 -28.2123 -20.5877 -20.5877 -20.5682 -20.5682 -20.4807 -20.4807 -20.4673 -20.4673 -5.8829 -5.8829 -5.7295 -5.7295 -4.1846 -4.1846 -3.9567 -3.9567 -3.2074 -3.2074 -2.7545 -2.7545 2.7626 2.7626 2.9383 2.9383 3.4836 3.4836 3.5485 3.5485 4.0209 4.0209 4.4466 4.4466 4.8446 4.8446 4.9582 4.9582 5.2258 5.2258 5.3046 5.3046 5.8203 5.8203 6.1658 6.1658 6.2280 6.2280 6.4746 6.4746 7.8817 7.8817 8.4413 8.4413 9.3844 9.3844 9.4016 9.4016 9.9507 9.9507 10.3960 10.3960 11.0293 11.0293 11.3604 11.3604 k = 0.3409 0.3530-0.0457 ( 6156 PWs) bands (ev): -53.8872 -53.8872 -53.8863 -53.8863 -28.2175 -28.2175 -28.2115 -28.2115 -20.5853 -20.5853 -20.5642 -20.5642 -20.4814 -20.4814 -20.4673 -20.4673 -5.9005 -5.9005 -5.7362 -5.7362 -4.2069 -4.2069 -3.9622 -3.9622 -3.2304 -3.2304 -2.7451 -2.7451 2.8082 2.8082 2.9739 2.9739 3.4895 3.4895 3.5637 3.5637 4.0213 4.0213 4.4515 4.4515 4.8422 4.8422 4.9616 4.9616 5.2505 5.2505 5.3161 5.3161 5.8450 5.8450 6.1769 6.1769 6.2215 6.2215 6.4946 6.4946 7.8593 7.8593 8.4379 8.4379 9.3749 9.3749 9.3842 9.3842 9.9680 9.9680 10.4468 10.4468 10.9566 10.9566 11.3250 11.3250 k = 0.3295 0.3530-0.0457 ( 6162 PWs) bands (ev): -53.8874 -53.8874 -53.8864 -53.8864 -28.2171 -28.2171 -28.2107 -28.2107 -20.5828 -20.5828 -20.5601 -20.5601 -20.4821 -20.4821 -20.4674 -20.4674 -5.9187 -5.9187 -5.7435 -5.7435 -4.2292 -4.2292 -3.9681 -3.9681 -3.2535 -3.2535 -2.7364 -2.7364 2.8570 2.8570 3.0071 3.0071 3.4962 3.4962 3.5816 3.5816 4.0224 4.0224 4.4530 4.4530 4.8415 4.8415 4.9647 4.9647 5.2732 5.2732 5.3302 5.3302 5.8721 5.8721 6.1855 6.1855 6.2201 6.2201 6.5194 6.5194 7.8402 7.8402 8.4335 8.4335 9.3612 9.3612 9.3690 9.3690 9.9856 9.9856 10.4942 10.4942 10.8859 10.8859 11.2897 11.2897 k = 0.3182 0.3530-0.0457 ( 6166 PWs) bands (ev): -53.8875 -53.8875 -53.8865 -53.8865 -28.2166 -28.2166 -28.2099 -28.2099 -20.5801 -20.5801 -20.5559 -20.5559 -20.4828 -20.4828 -20.4674 -20.4674 -5.9373 -5.9373 -5.7516 -5.7516 -4.2516 -4.2516 -3.9743 -3.9743 -3.2767 -3.2767 -2.7286 -2.7286 2.9087 2.9087 3.0369 3.0369 3.5039 3.5039 3.6024 3.6024 4.0239 4.0239 4.4515 4.4515 4.8425 4.8425 4.9675 4.9675 5.2916 5.2916 5.3493 5.3493 5.9003 5.9003 6.1939 6.1939 6.2230 6.2230 6.5493 6.5493 7.8246 7.8246 8.4283 8.4283 9.3410 9.3410 9.3583 9.3583 10.0030 10.0030 10.5362 10.5362 10.8182 10.8182 11.2555 11.2555 k = 0.3068 0.3530-0.0457 ( 6168 PWs) bands (ev): -53.8877 -53.8877 -53.8866 -53.8866 -28.2161 -28.2161 -28.2091 -28.2091 -20.5775 -20.5775 -20.5517 -20.5517 -20.4833 -20.4833 -20.4674 -20.4674 -5.9563 -5.9563 -5.7604 -5.7604 -4.2738 -4.2738 -3.9808 -3.9808 -3.2998 -3.2998 -2.7216 -2.7216 2.9626 2.9626 3.0628 3.0628 3.5124 3.5124 3.6264 3.6264 4.0257 4.0257 4.4474 4.4474 4.8451 4.8451 4.9697 4.9697 5.3057 5.3057 5.3737 5.3737 5.9283 5.9283 6.2047 6.2047 6.2283 6.2283 6.5842 6.5842 7.8127 7.8127 8.4226 8.4226 9.3185 9.3185 9.3480 9.3480 10.0200 10.0200 10.5692 10.5692 10.7556 10.7556 11.2237 11.2237 k = 0.2955 0.3530-0.0457 ( 6178 PWs) bands (ev): -53.8878 -53.8878 -53.8867 -53.8867 -28.2156 -28.2156 -28.2083 -28.2083 -20.5748 -20.5748 -20.5474 -20.5474 -20.4838 -20.4838 -20.4674 -20.4674 -5.9756 -5.9756 -5.7698 -5.7698 -4.2958 -4.2958 -3.9876 -3.9876 -3.3228 -3.3228 -2.7153 -2.7153 3.0185 3.0185 3.0841 3.0841 3.5220 3.5220 3.6540 3.6540 4.0277 4.0277 4.4414 4.4414 4.8491 4.8491 4.9711 4.9711 5.3176 5.3176 5.4012 5.4012 5.9554 5.9554 6.2172 6.2172 6.2375 6.2375 6.6243 6.6243 7.8047 7.8047 8.4167 8.4167 9.2946 9.2946 9.3373 9.3373 10.0360 10.0360 10.5864 10.5864 10.7031 10.7031 11.1965 11.1965 k = 0.2841 0.3530-0.0457 ( 6182 PWs) bands (ev): -53.8880 -53.8880 -53.8868 -53.8868 -28.2151 -28.2151 -28.2074 -28.2074 -20.5721 -20.5721 -20.5431 -20.5431 -20.4841 -20.4841 -20.4673 -20.4673 -5.9952 -5.9952 -5.7797 -5.7797 -4.3174 -4.3174 -3.9946 -3.9946 -3.3456 -3.3456 -2.7099 -2.7099 3.0755 3.0755 3.1005 3.1005 3.5325 3.5325 3.6850 3.6850 4.0299 4.0299 4.4342 4.4342 4.8543 4.8543 4.9717 4.9717 5.3295 5.3295 5.4299 5.4299 5.9813 5.9813 6.2250 6.2250 6.2569 6.2569 6.6695 6.6695 7.8006 7.8006 8.4108 8.4108 9.2693 9.2693 9.3260 9.3260 10.0507 10.0507 10.5752 10.5752 10.6709 10.6709 11.1763 11.1763 k = 0.2727 0.3530-0.0457 ( 6190 PWs) bands (ev): -53.8882 -53.8882 -53.8870 -53.8870 -28.2145 -28.2145 -28.2066 -28.2066 -20.5696 -20.5696 -20.5388 -20.5388 -20.4843 -20.4843 -20.4672 -20.4672 -6.0148 -6.0148 -5.7901 -5.7901 -4.3386 -4.3386 -4.0017 -4.0017 -3.3681 -3.3681 -2.7051 -2.7051 3.1116 3.1116 3.1333 3.1333 3.5441 3.5441 3.7193 3.7193 4.0324 4.0324 4.4266 4.4266 4.8604 4.8604 4.9714 4.9714 5.3425 5.3425 5.4585 5.4585 6.0063 6.0063 6.2277 6.2277 6.2864 6.2864 6.7196 6.7196 7.8004 7.8004 8.4053 8.4053 9.2429 9.2429 9.3140 9.3140 10.0634 10.0634 10.5385 10.5385 10.6547 10.6547 11.1652 11.1652 k = 0.2614 0.3530-0.0457 ( 6186 PWs) bands (ev): -53.8883 -53.8883 -53.8871 -53.8871 -28.2139 -28.2139 -28.2057 -28.2057 -20.5670 -20.5670 -20.5345 -20.5345 -20.4843 -20.4843 -20.4670 -20.4670 -6.0345 -6.0345 -5.8009 -5.8009 -4.3593 -4.3593 -4.0090 -4.0090 -3.3902 -3.3902 -2.7011 -2.7011 3.1179 3.1179 3.1905 3.1905 3.5570 3.5570 3.7566 3.7566 4.0351 4.0351 4.4196 4.4196 4.8670 4.8670 4.9702 4.9702 5.3575 5.3575 5.4862 5.4862 6.0311 6.0311 6.2277 6.2277 6.3227 6.3227 6.7743 6.7743 7.8042 7.8042 8.4004 8.4004 9.2155 9.2155 9.3011 9.3011 10.0733 10.0733 10.4952 10.4952 10.6354 10.6354 11.1642 11.1642 k = 0.2500 0.3530-0.0457 ( 6184 PWs) bands (ev): -53.8885 -53.8885 -53.8872 -53.8872 -28.2133 -28.2133 -28.2049 -28.2049 -20.5646 -20.5646 -20.5303 -20.5303 -20.4842 -20.4842 -20.4667 -20.4667 -6.0542 -6.0542 -5.8121 -5.8121 -4.3795 -4.3795 -4.0163 -4.0163 -3.4117 -3.4117 -2.6977 -2.6977 3.1194 3.1194 3.2464 3.2464 3.5712 3.5712 3.7964 3.7964 4.0379 4.0379 4.4143 4.4143 4.8739 4.8739 4.9682 4.9682 5.3747 5.3747 5.5125 5.5125 6.0560 6.0560 6.2256 6.2256 6.3643 6.3643 6.8333 6.8333 7.8118 7.8118 8.3965 8.3965 9.1872 9.1872 9.2874 9.2874 10.0797 10.0797 10.4542 10.4542 10.6062 10.6062 11.1721 11.1721 k = 0.2386 0.3530-0.0457 ( 6176 PWs) bands (ev): -53.8886 -53.8886 -53.8873 -53.8873 -28.2127 -28.2127 -28.2040 -28.2040 -20.5624 -20.5624 -20.5262 -20.5262 -20.4838 -20.4838 -20.4663 -20.4663 -6.0738 -6.0738 -5.8236 -5.8236 -4.3989 -4.3989 -4.0237 -4.0237 -3.4327 -3.4327 -2.6950 -2.6950 3.1166 3.1166 3.2996 3.2996 3.5872 3.5872 3.8382 3.8382 4.0410 4.0410 4.4115 4.4115 4.8807 4.8807 4.9655 4.9655 5.3945 5.3945 5.5373 5.5373 6.0813 6.0813 6.2219 6.2219 6.4102 6.4102 6.8961 6.8961 7.8232 7.8232 8.3937 8.3937 9.1580 9.1580 9.2727 9.2727 10.0816 10.0816 10.4187 10.4187 10.5677 10.5677 11.1862 11.1862 k = 0.2273 0.3530-0.0457 ( 6172 PWs) bands (ev): -53.8888 -53.8888 -53.8874 -53.8874 -28.2121 -28.2121 -28.2031 -28.2031 -20.5603 -20.5603 -20.5222 -20.5222 -20.4832 -20.4832 -20.4658 -20.4658 -6.0931 -6.0931 -5.8353 -5.8353 -4.4176 -4.4176 -4.0312 -4.0312 -3.4530 -3.4530 -2.6928 -2.6928 3.1099 3.1099 3.3489 3.3489 3.6050 3.6050 3.8815 3.8815 4.0442 4.0442 4.4126 4.4126 4.8871 4.8871 4.9623 4.9623 5.4171 5.4171 5.5603 5.5603 6.1065 6.1065 6.2170 6.2170 6.4597 6.4597 6.9622 6.9622 7.8382 7.8382 8.3924 8.3924 9.1280 9.1280 9.2570 9.2570 10.0786 10.0786 10.3894 10.3894 10.5226 10.5226 11.2037 11.2037 k = 0.2159 0.3530-0.0457 ( 6176 PWs) bands (ev): -53.8890 -53.8890 -53.8875 -53.8875 -28.2115 -28.2115 -28.2023 -28.2023 -20.5584 -20.5584 -20.5186 -20.5186 -20.4824 -20.4824 -20.4652 -20.4652 -6.1121 -6.1121 -5.8471 -5.8471 -4.4356 -4.4356 -4.0387 -4.0387 -3.4725 -3.4725 -2.6912 -2.6912 3.0998 3.0998 3.3928 3.3928 3.6250 3.6250 3.9258 3.9258 4.0475 4.0475 4.4185 4.4185 4.8927 4.8927 4.9588 4.9588 5.4421 5.4421 5.5819 5.5819 6.1306 6.1306 6.2115 6.2115 6.5128 6.5128 7.0309 7.0309 7.8567 7.8567 8.3927 8.3927 9.0972 9.0972 9.2403 9.2403 10.0706 10.0706 10.3647 10.3647 10.4752 10.4752 11.2216 11.2216 k = 0.2045 0.3530-0.0457 ( 6176 PWs) bands (ev): -53.8891 -53.8891 -53.8876 -53.8876 -28.2109 -28.2109 -28.2015 -28.2015 -20.5568 -20.5568 -20.5151 -20.5151 -20.4814 -20.4814 -20.4644 -20.4644 -6.1308 -6.1308 -5.8590 -5.8590 -4.4527 -4.4527 -4.0461 -4.0461 -3.4912 -3.4912 -2.6901 -2.6901 3.0870 3.0870 3.4303 3.4303 3.6470 3.6470 3.9705 3.9705 4.0511 4.0511 4.4305 4.4305 4.8974 4.8974 4.9551 4.9551 5.4689 5.4689 5.6028 5.6028 6.1512 6.1512 6.2071 6.2071 6.5693 6.5693 7.1012 7.1012 7.8786 7.8786 8.3946 8.3946 9.0658 9.0658 9.2225 9.2225 10.0586 10.0586 10.3396 10.3396 10.4320 10.4320 11.2376 11.2376 k = 0.1932 0.3530-0.0457 ( 6176 PWs) bands (ev): -53.8893 -53.8893 -53.8878 -53.8878 -28.2103 -28.2103 -28.2007 -28.2007 -20.5554 -20.5554 -20.5121 -20.5121 -20.4801 -20.4801 -20.4635 -20.4635 -6.1489 -6.1489 -5.8708 -5.8708 -4.4690 -4.4690 -4.0536 -4.0536 -3.5090 -3.5090 -2.6894 -2.6894 3.0719 3.0719 3.4607 3.4607 3.6706 3.6706 4.0137 4.0137 4.0565 4.0565 4.4494 4.4494 4.9008 4.9008 4.9515 4.9515 5.4960 5.4960 5.6244 5.6244 6.1634 6.1634 6.2081 6.2081 6.6291 6.6291 7.1723 7.1723 7.9042 7.9042 8.3981 8.3981 9.0339 9.0339 9.2036 9.2036 10.0439 10.0439 10.3045 10.3045 10.4028 10.4028 11.2494 11.2494 k = 0.1818 0.3530-0.0457 ( 6176 PWs) bands (ev): -53.8894 -53.8894 -53.8879 -53.8879 -28.2097 -28.2097 -28.1999 -28.1999 -20.5541 -20.5541 -20.5093 -20.5093 -20.4785 -20.4785 -20.4624 -20.4624 -6.1665 -6.1665 -5.8825 -5.8825 -4.4844 -4.4844 -4.0610 -4.0610 -3.5259 -3.5259 -2.6891 -2.6891 3.0550 3.0550 3.4844 3.4844 3.6949 3.6949 4.0430 4.0430 4.0757 4.0757 4.4758 4.4758 4.9029 4.9029 4.9481 4.9481 5.5210 5.5210 5.6492 5.6492 6.1632 6.1632 6.2175 6.2175 6.6924 6.6924 7.2431 7.2431 7.9335 7.9335 8.4031 8.4031 9.0015 9.0015 9.1836 9.1836 10.0280 10.0280 10.2572 10.2572 10.3896 10.3896 11.2547 11.2547 k = 0.1705 0.3530-0.0457 ( 6174 PWs) bands (ev): -53.8895 -53.8895 -53.8880 -53.8880 -28.2092 -28.2092 -28.1992 -28.1992 -20.5531 -20.5531 -20.5070 -20.5070 -20.4766 -20.4766 -20.4612 -20.4612 -6.1835 -6.1835 -5.8940 -5.8940 -4.4989 -4.4989 -4.0683 -4.0683 -3.5417 -3.5417 -2.6891 -2.6891 3.0369 3.0369 3.5020 3.5020 3.7187 3.7187 4.0502 4.0502 4.1167 4.1167 4.5098 4.5098 4.9037 4.9037 4.9451 4.9451 5.5410 5.5410 5.6797 5.6797 6.1557 6.1557 6.2301 6.2301 6.7588 6.7588 7.3121 7.3121 7.9671 7.9671 8.4093 8.4093 8.9688 8.9688 9.1626 9.1626 10.0123 10.0123 10.2041 10.2041 10.3857 10.3857 11.2514 11.2514 k = 0.1591 0.3530-0.0457 ( 6176 PWs) bands (ev): -53.8897 -53.8897 -53.8881 -53.8881 -28.2086 -28.2086 -28.1985 -28.1985 -20.5523 -20.5523 -20.5050 -20.5050 -20.4746 -20.4746 -20.4600 -20.4600 -6.1998 -6.1998 -5.9052 -5.9052 -4.5125 -4.5125 -4.0754 -4.0754 -3.5565 -3.5565 -2.6894 -2.6894 3.0180 3.0180 3.5143 3.5143 3.7412 3.7412 4.0522 4.0522 4.1624 4.1624 4.5508 4.5508 4.9032 4.9032 4.9425 4.9425 5.5544 5.5544 5.7174 5.7174 6.1450 6.1450 6.2412 6.2412 6.8280 6.8280 7.3781 7.3781 8.0053 8.0053 8.4162 8.4162 8.9361 8.9361 9.1407 9.1407 9.9975 9.9975 10.1501 10.1501 10.3859 10.3859 11.2379 11.2379 k = 0.1477 0.3530-0.0457 ( 6168 PWs) bands (ev): -53.8898 -53.8898 -53.8882 -53.8882 -28.2081 -28.2081 -28.1978 -28.1978 -20.5516 -20.5516 -20.5034 -20.5034 -20.4723 -20.4723 -20.4585 -20.4585 -6.2153 -6.2153 -5.9160 -5.9160 -4.5252 -4.5252 -4.0824 -4.0824 -3.5703 -3.5703 -2.6900 -2.6900 2.9987 2.9987 3.5223 3.5223 3.7622 3.7622 4.0529 4.0529 4.2089 4.2089 4.5981 4.5981 4.9016 4.9016 4.9402 4.9402 5.5613 5.5613 5.7613 5.7613 6.1326 6.1326 6.2494 6.2494 6.8994 6.8994 7.4396 7.4396 8.0487 8.0487 8.4233 8.4233 8.9035 8.9035 9.1180 9.1180 9.9839 9.9839 10.0979 10.0979 10.3876 10.3876 11.2136 11.2136 k = 0.1364 0.3530-0.0457 ( 6166 PWs) bands (ev): -53.8899 -53.8899 -53.8883 -53.8883 -28.2075 -28.2075 -28.1972 -28.1972 -20.5511 -20.5511 -20.5021 -20.5021 -20.4699 -20.4699 -20.4571 -20.4571 -6.2299 -6.2299 -5.9264 -5.9264 -4.5369 -4.5369 -4.0891 -4.0891 -3.5830 -3.5830 -2.6907 -2.6907 2.9794 2.9794 3.5267 3.5267 3.7815 3.7815 4.0526 4.0526 4.2555 4.2555 4.6502 4.6502 4.8993 4.8993 4.9385 4.9385 5.5631 5.5631 5.8096 5.8096 6.1193 6.1193 6.2545 6.2545 6.9723 6.9723 7.4955 7.4955 8.0976 8.0976 8.4300 8.4300 8.8714 8.8714 9.0948 9.0948 9.9709 9.9709 10.0499 10.0499 10.3892 10.3892 11.1794 11.1794 k = 0.1250 0.3530-0.0457 ( 6172 PWs) bands (ev): -53.8900 -53.8900 -53.8884 -53.8884 -28.2071 -28.2071 -28.1966 -28.1966 -20.5507 -20.5507 -20.5011 -20.5011 -20.4675 -20.4675 -20.4557 -20.4557 -6.2437 -6.2437 -5.9363 -5.9363 -4.5477 -4.5477 -4.0956 -4.0956 -3.5946 -3.5946 -2.6915 -2.6915 2.9605 2.9605 3.5282 3.5282 3.7993 3.7993 4.0517 4.0517 4.3017 4.3017 4.7054 4.7054 4.8965 4.8965 4.9374 4.9374 5.5610 5.5610 5.8599 5.8599 6.1052 6.1052 6.2569 6.2569 7.0458 7.0458 7.5449 7.5449 8.1521 8.1521 8.4355 8.4355 8.8400 8.8400 9.0713 9.0713 9.9564 9.9564 10.0093 10.0093 10.3894 10.3894 11.1375 11.1375 k = 0.1136 0.3530-0.0457 ( 6176 PWs) bands (ev): -53.8902 -53.8902 -53.8884 -53.8884 -28.2066 -28.2066 -28.1961 -28.1961 -20.5504 -20.5504 -20.5004 -20.5004 -20.4651 -20.4651 -20.4543 -20.4543 -6.2564 -6.2564 -5.9456 -5.9456 -4.5576 -4.5576 -4.1018 -4.1018 -3.6051 -3.6051 -2.6925 -2.6925 2.9422 2.9422 3.5274 3.5274 3.8156 3.8156 4.0503 4.0503 4.3475 4.3475 4.7610 4.7610 4.8940 4.8940 4.9377 4.9377 5.5561 5.5561 5.9095 5.9095 6.0911 6.0911 6.2576 6.2576 7.1188 7.1188 7.5873 7.5873 8.2114 8.2114 8.4392 8.4392 8.8098 8.8098 9.0480 9.0480 9.9351 9.9351 9.9819 9.9819 10.3871 10.3871 11.0905 11.0905 k = 0.1023 0.3530-0.0457 ( 6172 PWs) bands (ev): -53.8903 -53.8903 -53.8885 -53.8885 -28.2062 -28.2062 -28.1956 -28.1956 -20.5502 -20.5502 -20.4998 -20.4998 -20.4626 -20.4626 -20.4529 -20.4529 -6.2681 -6.2681 -5.9542 -5.9542 -4.5665 -4.5665 -4.1076 -4.1076 -3.6146 -3.6146 -2.6934 -2.6934 2.9249 2.9249 3.5250 3.5250 3.8307 3.8307 4.0486 4.0486 4.3925 4.3925 4.8117 4.8117 4.8936 4.8936 4.9413 4.9413 5.5492 5.5492 5.9543 5.9543 6.0787 6.0787 6.2581 6.2581 7.1904 7.1904 7.6231 7.6231 8.2743 8.2743 8.4406 8.4406 8.7813 8.7813 9.0252 9.0252 9.9069 9.9069 9.9681 9.9681 10.3814 10.3814 11.0409 11.0409 k = 0.0909 0.3530-0.0457 ( 6176 PWs) bands (ev): -53.8903 -53.8903 -53.8886 -53.8886 -28.2059 -28.2059 -28.1952 -28.1952 -20.5501 -20.5501 -20.4993 -20.4993 -20.4604 -20.4604 -20.4516 -20.4516 -6.2787 -6.2787 -5.9621 -5.9621 -4.5744 -4.5744 -4.1129 -4.1129 -3.6230 -3.6230 -2.6944 -2.6944 2.9088 2.9088 3.5214 3.5214 3.8446 3.8446 4.0466 4.0466 4.4363 4.4363 4.8445 4.8445 4.9008 4.9008 4.9546 4.9546 5.5410 5.5410 5.9867 5.9867 6.0727 6.0727 6.2608 6.2608 7.2593 7.2593 7.6529 7.6529 8.3385 8.3385 8.4398 8.4398 8.7549 8.7549 9.0036 9.0036 9.8790 9.8790 9.9606 9.9606 10.3716 10.3716 10.9910 10.9910 k = 0.0795 0.3530-0.0457 ( 6174 PWs) bands (ev): -53.8904 -53.8904 -53.8886 -53.8886 -28.2055 -28.2055 -28.1948 -28.1948 -20.5500 -20.5500 -20.4990 -20.4990 -20.4582 -20.4582 -20.4504 -20.4504 -6.2882 -6.2882 -5.9692 -5.9692 -4.5814 -4.5814 -4.1178 -4.1178 -3.6303 -3.6303 -2.6954 -2.6954 2.8942 2.8942 3.5172 3.5172 3.8572 3.8572 4.0445 4.0445 4.4787 4.4787 4.8516 4.8516 4.9115 4.9115 4.9877 4.9877 5.5322 5.5322 5.9964 5.9964 6.0799 6.0799 6.2686 6.2686 7.3242 7.3242 7.6773 7.6773 8.3976 8.3976 8.4408 8.4408 8.7315 8.7315 8.9836 8.9836 9.8550 9.8550 9.9558 9.9558 10.3573 10.3573 10.9423 10.9423 k = 0.0682 0.3530-0.0457 ( 6178 PWs) bands (ev): -53.8905 -53.8905 -53.8887 -53.8887 -28.2053 -28.2053 -28.1944 -28.1944 -20.5500 -20.5500 -20.4988 -20.4988 -20.4563 -20.4563 -20.4494 -20.4494 -6.2965 -6.2965 -5.9755 -5.9755 -4.5875 -4.5875 -4.1221 -4.1221 -3.6367 -3.6367 -2.6963 -2.6963 2.8811 2.8811 3.5127 3.5127 3.8685 3.8685 4.0425 4.0425 4.5192 4.5192 4.8470 4.8470 4.9169 4.9169 5.0341 5.0341 5.5234 5.5234 5.9880 5.9880 6.0932 6.0932 6.2839 6.2839 7.3839 7.3839 7.6974 7.6974 8.4175 8.4175 8.4750 8.4750 8.7122 8.7122 8.9657 8.9657 9.8357 9.8357 9.9523 9.9523 10.3391 10.3391 10.8965 10.8965 k = 0.0568 0.3530-0.0457 ( 6190 PWs) bands (ev): -53.8906 -53.8906 -53.8888 -53.8888 -28.2051 -28.2051 -28.1942 -28.1942 -20.5500 -20.5500 -20.4986 -20.4986 -20.4545 -20.4545 -20.4486 -20.4486 -6.3036 -6.3036 -5.9808 -5.9808 -4.5926 -4.5926 -4.1259 -4.1259 -3.6420 -3.6420 -2.6971 -2.6971 2.8698 2.8698 3.5083 3.5083 3.8783 3.8783 4.0405 4.0405 4.5574 4.5574 4.8382 4.8382 4.9196 4.9196 5.0819 5.0819 5.5152 5.5152 5.9729 5.9729 6.1018 6.1018 6.3061 6.3061 7.4369 7.4369 7.7138 7.7138 8.4110 8.4110 8.5264 8.5264 8.6990 8.6990 8.9502 8.9502 9.8210 9.8210 9.9495 9.9495 10.3179 10.3179 10.8548 10.8548 k = 0.0455 0.3530-0.0457 ( 6194 PWs) bands (ev): -53.8906 -53.8906 -53.8888 -53.8888 -28.2049 -28.2049 -28.1939 -28.1939 -20.5500 -20.5500 -20.4985 -20.4985 -20.4530 -20.4530 -20.4480 -20.4480 -6.3094 -6.3094 -5.9853 -5.9853 -4.5968 -4.5968 -4.1290 -4.1290 -3.6463 -3.6463 -2.6978 -2.6978 2.8603 2.8603 3.5044 3.5044 3.8865 3.8865 4.0388 4.0388 4.5927 4.5927 4.8271 4.8271 4.9213 4.9213 5.1260 5.1260 5.5081 5.5081 5.9562 5.9562 6.1044 6.1044 6.3314 6.3314 7.4820 7.4820 7.7271 7.7271 8.4011 8.4011 8.5672 8.5672 8.6956 8.6956 8.9375 8.9375 9.8104 9.8104 9.9471 9.9471 10.2955 10.2955 10.8187 10.8187 k = 0.0341 0.3530-0.0457 ( 6196 PWs) bands (ev): -53.8906 -53.8906 -53.8888 -53.8888 -28.2047 -28.2047 -28.1938 -28.1938 -20.5501 -20.5501 -20.4984 -20.4984 -20.4517 -20.4517 -20.4475 -20.4475 -6.3140 -6.3140 -5.9888 -5.9888 -4.6000 -4.6000 -4.1314 -4.1314 -3.6497 -3.6497 -2.6983 -2.6983 2.8529 2.8529 3.5011 3.5011 3.8930 3.8930 4.0373 4.0373 4.6243 4.6243 4.8146 4.8146 4.9226 4.9226 5.1632 5.1632 5.5024 5.5024 5.9404 5.9404 6.1034 6.1034 6.3554 6.3554 7.5180 7.5180 7.7377 7.7377 8.3912 8.3912 8.5900 8.5900 8.7052 8.7052 8.9277 8.9277 9.8032 9.8032 9.9450 9.9450 10.2744 10.2744 10.7891 10.7891 k = 0.0227 0.3530-0.0457 ( 6196 PWs) bands (ev): -53.8907 -53.8907 -53.8889 -53.8889 -28.2046 -28.2046 -28.1936 -28.1936 -20.5501 -20.5501 -20.4984 -20.4984 -20.4508 -20.4508 -20.4472 -20.4472 -6.3173 -6.3173 -5.9913 -5.9913 -4.6023 -4.6023 -4.1332 -4.1332 -3.6520 -3.6520 -2.6987 -2.6987 2.8475 2.8475 3.4986 3.4986 3.8978 3.8978 4.0362 4.0362 4.6509 4.6509 4.8019 4.8019 4.9236 4.9236 5.1916 5.1916 5.4984 5.4984 5.9275 5.9275 6.1012 6.1012 6.3748 6.3748 7.5441 7.5441 7.7457 7.7457 8.3828 8.3828 8.5977 8.5977 8.7223 8.7223 8.9210 8.9210 9.7988 9.7988 9.9433 9.9433 10.2570 10.2570 10.7672 10.7672 k = 0.0114 0.3530-0.0457 ( 6194 PWs) bands (ev): -53.8907 -53.8907 -53.8889 -53.8889 -28.2045 -28.2045 -28.1935 -28.1935 -20.5501 -20.5501 -20.4983 -20.4983 -20.4501 -20.4501 -20.4471 -20.4471 -6.3192 -6.3192 -5.9928 -5.9928 -4.6037 -4.6037 -4.1343 -4.1343 -3.6535 -3.6535 -2.6990 -2.6990 2.8443 2.8443 3.4971 3.4971 3.9007 3.9007 4.0356 4.0356 4.6699 4.6699 4.7914 4.7914 4.9241 4.9241 5.2094 5.2094 5.4961 5.4961 5.9190 5.9190 6.0993 6.0993 6.3872 6.3872 7.5598 7.5598 7.7507 7.7507 8.3772 8.3772 8.5989 8.5989 8.7366 8.7366 8.9172 8.9172 9.7965 9.7965 9.9421 9.9421 10.2455 10.2455 10.7536 10.7536 k = 0.0000 0.3530-0.0457 ( 6200 PWs) bands (ev): -53.8907 -53.8907 -53.8889 -53.8889 -28.2045 -28.2045 -28.1935 -28.1935 -20.5501 -20.5501 -20.4984 -20.4984 -20.4499 -20.4499 -20.4471 -20.4471 -6.3199 -6.3199 -5.9933 -5.9933 -4.6042 -4.6042 -4.1347 -4.1347 -3.6539 -3.6539 -2.6991 -2.6991 2.8432 2.8432 3.4966 3.4966 3.9017 3.9017 4.0353 4.0353 4.6771 4.6771 4.7871 4.7871 4.9243 4.9243 5.2154 5.2154 5.4953 5.4953 5.9160 5.9160 6.0986 6.0986 6.3915 6.3915 7.5650 7.5650 7.7524 7.7524 8.3753 8.3753 8.5989 8.5989 8.7419 8.7419 8.9159 8.9159 9.7958 9.7958 9.9417 9.9417 10.2414 10.2414 10.7491 10.7491 k = 0.0000 0.3530-0.0457 ( 6200 PWs) bands (ev): -53.8907 -53.8907 -53.8889 -53.8889 -28.2045 -28.2045 -28.1935 -28.1935 -20.5501 -20.5501 -20.4984 -20.4984 -20.4499 -20.4499 -20.4471 -20.4471 -6.3199 -6.3199 -5.9933 -5.9933 -4.6042 -4.6042 -4.1347 -4.1347 -3.6539 -3.6539 -2.6991 -2.6991 2.8432 2.8432 3.4966 3.4966 3.9017 3.9017 4.0353 4.0353 4.6771 4.6771 4.7871 4.7871 4.9243 4.9243 5.2154 5.2154 5.4953 5.4953 5.9160 5.9160 6.0986 6.0986 6.3915 6.3915 7.5650 7.5650 7.7524 7.7524 8.3753 8.3753 8.5989 8.5989 8.7419 8.7419 8.9159 8.9159 9.7958 9.7958 9.9417 9.9417 10.2414 10.2414 10.7491 10.7491 k = 0.0000 0.3545-0.0345 ( 6193 PWs) bands (ev): -53.8907 -53.8907 -53.8889 -53.8889 -28.2045 -28.2045 -28.1935 -28.1935 -20.5501 -20.5501 -20.4983 -20.4983 -20.4499 -20.4499 -20.4471 -20.4471 -6.3196 -6.3196 -5.9936 -5.9936 -4.6053 -4.6053 -4.1339 -4.1339 -3.6529 -3.6529 -2.6996 -2.6996 2.8413 2.8413 3.4957 3.4957 3.8998 3.8998 4.0392 4.0392 4.6772 4.6772 4.7890 4.7890 4.9237 4.9237 5.2151 5.2151 5.4958 5.4958 5.9164 5.9164 6.1007 6.1007 6.3936 6.3936 7.5626 7.5626 7.7457 7.7457 8.3773 8.3773 8.5981 8.5981 8.7406 8.7406 8.9153 8.9153 9.7948 9.7948 9.9418 9.9418 10.2439 10.2439 10.7525 10.7525 k = 0.0000 0.3559-0.0234 ( 6191 PWs) bands (ev): -53.8907 -53.8907 -53.8889 -53.8889 -28.2045 -28.2045 -28.1935 -28.1935 -20.5501 -20.5501 -20.4983 -20.4983 -20.4499 -20.4499 -20.4471 -20.4471 -6.3188 -6.3188 -5.9945 -5.9945 -4.6085 -4.6085 -4.1317 -4.1317 -3.6500 -3.6500 -2.7010 -2.7010 2.8356 2.8356 3.4928 3.4928 3.8946 3.8946 4.0505 4.0505 4.6775 4.6775 4.7944 4.7944 4.9220 4.9220 5.2143 5.2143 5.4973 5.4973 5.9174 5.9174 6.1072 6.1072 6.3997 6.3997 7.5553 7.5553 7.7262 7.7262 8.3828 8.3828 8.5958 8.5958 8.7365 8.7365 8.9133 8.9133 9.7919 9.7919 9.9418 9.9418 10.2513 10.2513 10.7627 10.7627 k = 0.0000 0.3573-0.0122 ( 6187 PWs) bands (ev): -53.8907 -53.8907 -53.8889 -53.8889 -28.2045 -28.2045 -28.1935 -28.1935 -20.5501 -20.5501 -20.4983 -20.4983 -20.4499 -20.4499 -20.4471 -20.4471 -6.3174 -6.3174 -5.9959 -5.9959 -4.6137 -4.6137 -4.1283 -4.1283 -3.6451 -3.6451 -2.7035 -2.7035 2.8269 2.8269 3.4870 3.4870 3.8875 3.8875 4.0687 4.0687 4.6780 4.6780 4.8026 4.8026 4.9191 4.9191 5.2128 5.2128 5.5002 5.5002 5.9191 5.9191 6.1177 6.1177 6.4098 6.4098 7.5429 7.5429 7.6956 7.6956 8.3899 8.3899 8.5925 8.5925 8.7299 8.7299 8.9102 8.9102 9.7875 9.7875 9.9416 9.9416 10.2631 10.2631 10.7793 10.7793 k = 0.0000 0.3588-0.0010 ( 6183 PWs) bands (ev): -53.8907 -53.8907 -53.8889 -53.8889 -28.2045 -28.2045 -28.1934 -28.1934 -20.5501 -20.5501 -20.4983 -20.4983 -20.4499 -20.4499 -20.4470 -20.4470 -6.3156 -6.3156 -5.9979 -5.9979 -4.6204 -4.6204 -4.1240 -4.1240 -3.6384 -3.6384 -2.7068 -2.7068 2.8159 2.8159 3.4773 3.4773 3.8798 3.8798 4.0937 4.0937 4.6787 4.6787 4.8125 4.8125 4.9152 4.9152 5.2103 5.2103 5.5050 5.5050 5.9214 5.9214 6.1323 6.1323 6.4238 6.4238 7.5253 7.5253 7.6564 7.6564 8.3964 8.3964 8.5894 8.5894 8.7212 8.7212 8.9062 8.9062 9.7818 9.7818 9.9408 9.9408 10.2789 10.2789 10.8017 10.8017 k = 0.0000 0.3602 0.0101 ( 6185 PWs) bands (ev): -53.8907 -53.8907 -53.8889 -53.8889 -28.2045 -28.2045 -28.1934 -28.1934 -20.5501 -20.5501 -20.4983 -20.4983 -20.4499 -20.4499 -20.4470 -20.4470 -6.3133 -6.3133 -6.0004 -6.0004 -4.6283 -4.6283 -4.1190 -4.1190 -3.6301 -3.6301 -2.7109 -2.7109 2.8036 2.8036 3.4627 3.4627 3.8724 3.8724 4.1251 4.1251 4.6795 4.6795 4.8228 4.8228 4.9105 4.9105 5.2065 5.2065 5.5124 5.5124 5.9240 5.9240 6.1505 6.1505 6.4415 6.4415 7.5018 7.5018 7.6114 7.6114 8.4002 8.4002 8.5871 8.5871 8.7107 8.7107 8.9018 8.9018 9.7754 9.7754 9.9390 9.9390 10.2980 10.2980 10.8292 10.8292 k = 0.0000 0.3617 0.0213 ( 6188 PWs) bands (ev): -53.8907 -53.8907 -53.8889 -53.8889 -28.2045 -28.2045 -28.1935 -28.1935 -20.5501 -20.5501 -20.4983 -20.4983 -20.4499 -20.4499 -20.4470 -20.4470 -6.3105 -6.3105 -6.0034 -6.0034 -4.6370 -4.6370 -4.1139 -4.1139 -3.6202 -3.6202 -2.7157 -2.7157 2.7909 2.7909 3.4431 3.4431 3.8659 3.8659 4.1627 4.1627 4.6805 4.6805 4.8324 4.8324 4.9051 4.9051 5.2007 5.2007 5.5231 5.5231 5.9270 5.9270 6.1721 6.1721 6.4625 6.4625 7.4712 7.4712 7.5640 7.5640 8.3996 8.3996 8.5861 8.5861 8.6990 8.6990 8.8973 8.8973 9.7686 9.7686 9.9362 9.9362 10.3194 10.3194 10.8608 10.8608 k = 0.0000 0.3631 0.0325 ( 6190 PWs) bands (ev): -53.8907 -53.8907 -53.8889 -53.8889 -28.2045 -28.2045 -28.1934 -28.1934 -20.5501 -20.5501 -20.4983 -20.4983 -20.4499 -20.4499 -20.4470 -20.4470 -6.3074 -6.3074 -6.0069 -6.0069 -4.6461 -4.6461 -4.1088 -4.1088 -3.6091 -3.6091 -2.7210 -2.7210 2.7787 2.7787 3.4188 3.4188 3.8602 3.8602 4.2059 4.2059 4.6816 4.6816 4.8404 4.8404 4.8993 4.8993 5.1923 5.1923 5.5378 5.5378 5.9302 5.9302 6.1966 6.1966 6.4866 6.4866 7.4319 7.4319 7.5181 7.5181 8.3943 8.3943 8.5864 8.5864 8.6866 8.6866 8.8933 8.8933 9.7618 9.7618 9.9322 9.9322 10.3424 10.3424 10.8957 10.8957 k = 0.0000 0.3646 0.0437 ( 6186 PWs) bands (ev): -53.8907 -53.8907 -53.8889 -53.8889 -28.2045 -28.2045 -28.1934 -28.1934 -20.5501 -20.5501 -20.4982 -20.4982 -20.4499 -20.4499 -20.4470 -20.4470 -6.3040 -6.3040 -6.0107 -6.0107 -4.6551 -4.6551 -4.1040 -4.1040 -3.5971 -3.5971 -2.7268 -2.7268 2.7679 2.7679 3.3905 3.3905 3.8553 3.8553 4.2540 4.2540 4.6827 4.6827 4.8463 4.8463 4.8933 4.8933 5.1806 5.1806 5.5569 5.5569 5.9335 5.9335 6.2234 6.2234 6.5134 6.5134 7.3835 7.3835 7.4757 7.4757 8.3846 8.3846 8.5871 8.5871 8.6741 8.6741 8.8902 8.8902 9.7552 9.7552 9.9271 9.9271 10.3661 10.3661 10.9327 10.9327 k = 0.0000 0.3660 0.0548 ( 6182 PWs) bands (ev): -53.8907 -53.8907 -53.8889 -53.8889 -28.2045 -28.2045 -28.1934 -28.1934 -20.5501 -20.5501 -20.4982 -20.4982 -20.4500 -20.4500 -20.4470 -20.4470 -6.3004 -6.3004 -6.0149 -6.0149 -4.6637 -4.6637 -4.0998 -4.0998 -3.5845 -3.5845 -2.7327 -2.7327 2.7590 2.7590 3.3592 3.3592 3.8508 3.8508 4.3060 4.3060 4.6837 4.6837 4.8500 4.8500 4.8872 4.8872 5.1651 5.1651 5.5803 5.5803 5.9368 5.9368 6.2519 6.2519 6.5424 6.5424 7.3284 7.3284 7.4365 7.4365 8.3715 8.3715 8.5871 8.5871 8.6623 8.6623 8.8883 8.8883 9.7493 9.7493 9.9210 9.9210 10.3897 10.3897 10.9709 10.9709 k = 0.0000 0.3675 0.0660 ( 6182 PWs) bands (ev): -53.8907 -53.8907 -53.8889 -53.8889 -28.2045 -28.2045 -28.1934 -28.1934 -20.5501 -20.5501 -20.4982 -20.4982 -20.4499 -20.4499 -20.4470 -20.4470 -6.2967 -6.2967 -6.0193 -6.0193 -4.6717 -4.6717 -4.0962 -4.0962 -3.5718 -3.5718 -2.7386 -2.7386 2.7525 2.7525 3.3260 3.3260 3.8464 3.8464 4.3609 4.3609 4.6847 4.6847 4.8514 4.8514 4.8813 4.8813 5.1454 5.1454 5.6078 5.6078 5.9400 5.9400 6.2814 6.2814 6.5733 6.5733 7.2700 7.2700 7.3987 7.3987 8.3559 8.3559 8.5858 8.5858 8.6516 8.6516 8.8878 8.8878 9.7442 9.7442 9.9142 9.9142 10.4126 10.4126 11.0090 11.0090 k = 0.0000 0.3689 0.0772 ( 6184 PWs) bands (ev): -53.8907 -53.8907 -53.8889 -53.8889 -28.2045 -28.2045 -28.1934 -28.1934 -20.5502 -20.5502 -20.4982 -20.4982 -20.4499 -20.4499 -20.4470 -20.4470 -6.2930 -6.2930 -6.0238 -6.0238 -4.6788 -4.6788 -4.0933 -4.0933 -3.5594 -3.5594 -2.7442 -2.7442 2.7490 2.7490 3.2918 3.2918 3.8420 3.8420 4.4177 4.4177 4.6854 4.6854 4.8510 4.8510 4.8757 4.8757 5.1217 5.1217 5.6385 5.6385 5.9431 5.9431 6.3111 6.3111 6.6053 6.6053 7.2111 7.2111 7.3616 7.3616 8.3389 8.3389 8.5831 8.5831 8.6426 8.6426 8.8884 8.8884 9.7402 9.7402 9.9067 9.9067 10.4343 10.4343 11.0459 11.0459 k = 0.0000 0.3704 0.0884 ( 6183 PWs) bands (ev): -53.8907 -53.8907 -53.8889 -53.8889 -28.2045 -28.2045 -28.1934 -28.1934 -20.5502 -20.5502 -20.4982 -20.4982 -20.4500 -20.4500 -20.4470 -20.4470 -6.2895 -6.2895 -6.0283 -6.0283 -4.6847 -4.6847 -4.0912 -4.0912 -3.5479 -3.5479 -2.7492 -2.7492 2.7487 2.7487 3.2574 3.2574 3.8373 3.8373 4.4751 4.4751 4.6858 4.6858 4.8491 4.8491 4.8705 4.8705 5.0943 5.0943 5.6715 5.6715 5.9460 5.9460 6.3400 6.3400 6.6377 6.6377 7.1537 7.1537 7.3254 7.3254 8.3212 8.3212 8.5792 8.5792 8.6357 8.6357 8.8899 8.8899 9.7376 9.7376 9.8987 9.8987 10.4544 10.4544 11.0805 11.0805 k = 0.0000 0.3718 0.0995 ( 6187 PWs) bands (ev): -53.8907 -53.8907 -53.8889 -53.8889 -28.2045 -28.2045 -28.1934 -28.1934 -20.5502 -20.5502 -20.4982 -20.4982 -20.4500 -20.4500 -20.4470 -20.4470 -6.2862 -6.2862 -6.0327 -6.0327 -4.6893 -4.6893 -4.0898 -4.0898 -3.5376 -3.5376 -2.7533 -2.7533 2.7518 2.7518 3.2235 3.2235 3.8322 3.8322 4.5321 4.5321 4.6858 4.6858 4.8461 4.8461 4.8657 4.8657 5.0637 5.0637 5.7059 5.7059 5.9486 5.9486 6.3674 6.3674 6.6695 6.6695 7.0994 7.0994 7.2906 7.2906 8.3036 8.3036 8.5748 8.5748 8.6309 8.6309 8.8918 8.8918 9.7363 9.7363 9.8905 9.8905 10.4724 10.4724 11.1116 11.1116 k = 0.0000 0.3733 0.1107 ( 6196 PWs) bands (ev): -53.8907 -53.8907 -53.8889 -53.8889 -28.2046 -28.2046 -28.1935 -28.1935 -20.5502 -20.5502 -20.4982 -20.4982 -20.4500 -20.4500 -20.4470 -20.4470 -6.2834 -6.2834 -6.0367 -6.0367 -4.6926 -4.6926 -4.0891 -4.0891 -3.5290 -3.5290 -2.7564 -2.7564 2.7586 2.7586 3.1909 3.1909 3.8267 3.8267 4.5872 4.5872 4.6853 4.6853 4.8417 4.8417 4.8618 4.8618 5.0311 5.0311 5.7402 5.7402 5.9508 5.9508 6.3922 6.3922 6.6993 6.6993 7.0497 7.0497 7.2586 7.2586 8.2869 8.2869 8.5708 8.5708 8.6283 8.6283 8.8938 8.8938 9.7367 9.7367 9.8821 9.8821 10.4883 10.4883 11.1381 11.1381 k = 0.5000 0.3327 0.2021 ( 6116 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2191 -28.2191 -28.2190 -28.2190 -20.6005 -20.6005 -20.6003 -20.6003 -20.4705 -20.4705 -20.4705 -20.4705 -5.7280 -5.7280 -5.7280 -5.7280 -3.9673 -3.9673 -3.9639 -3.9639 -2.9311 -2.9311 -2.9310 -2.9310 2.3576 2.3576 2.3603 2.3603 3.9136 3.9136 3.9467 3.9467 4.1012 4.1012 4.1483 4.1483 4.5770 4.5770 4.5948 4.5948 5.2838 5.2838 5.2975 5.2975 5.9074 5.9074 5.9233 5.9233 6.3821 6.3821 6.3874 6.3874 7.8075 7.8075 7.8123 7.8123 9.5098 9.5098 9.5099 9.5099 10.4034 10.4034 10.4123 10.4123 11.6607 11.6607 11.6623 11.6623 k = 0.5000 0.3217 0.2021 ( 6126 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2191 -28.2191 -28.2191 -28.2191 -20.6005 -20.6005 -20.6003 -20.6003 -20.4705 -20.4705 -20.4704 -20.4704 -5.7314 -5.7314 -5.7313 -5.7313 -3.9703 -3.9703 -3.9651 -3.9651 -2.9222 -2.9222 -2.9221 -2.9221 2.3605 2.3605 2.3640 2.3640 3.9320 3.9320 3.9399 3.9399 4.1099 4.1099 4.1394 4.1394 4.5593 4.5593 4.5762 4.5762 5.2725 5.2725 5.2852 5.2852 5.9135 5.9135 5.9333 5.9333 6.3759 6.3759 6.3862 6.3862 7.7922 7.7922 7.7991 7.7991 9.5533 9.5533 9.5537 9.5537 10.3995 10.3995 10.4171 10.4171 11.6586 11.6586 11.6708 11.6708 k = 0.5000 0.3106 0.2021 ( 6130 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2191 -28.2191 -28.2191 -28.2191 -20.6006 -20.6006 -20.6003 -20.6003 -20.4705 -20.4705 -20.4704 -20.4704 -5.7361 -5.7361 -5.7360 -5.7360 -3.9743 -3.9743 -3.9673 -3.9673 -2.9095 -2.9095 -2.9094 -2.9094 2.3656 2.3656 2.3698 2.3698 3.9251 3.9251 3.9429 3.9429 4.1245 4.1245 4.1366 4.1366 4.5422 4.5422 4.5573 4.5573 5.2529 5.2529 5.2646 5.2646 5.9199 5.9199 5.9428 5.9428 6.3707 6.3707 6.3865 6.3865 7.7732 7.7732 7.7822 7.7822 9.6131 9.6131 9.6139 9.6139 10.3949 10.3949 10.4209 10.4209 11.6538 11.6538 11.6767 11.6767 k = 0.5000 0.2995 0.2021 ( 6120 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2191 -28.2191 -28.2190 -28.2190 -20.6006 -20.6006 -20.6002 -20.6002 -20.4704 -20.4704 -20.4703 -20.4703 -5.7422 -5.7422 -5.7421 -5.7421 -3.9791 -3.9791 -3.9704 -3.9704 -2.8932 -2.8932 -2.8931 -2.8931 2.3728 2.3728 2.3775 2.3775 3.9062 3.9062 3.9459 3.9459 4.1392 4.1392 4.1395 4.1395 4.5275 4.5275 4.5392 4.5392 5.2257 5.2257 5.2363 5.2363 5.9256 5.9256 5.9507 5.9507 6.3672 6.3672 6.3888 6.3888 7.7523 7.7523 7.7632 7.7632 9.6865 9.6865 9.6877 9.6877 10.3902 10.3902 10.4242 10.4242 11.6465 11.6465 11.6799 11.6799 k = 0.5000 0.2884 0.2021 ( 6122 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2191 -28.2191 -28.2190 -28.2190 -20.6006 -20.6006 -20.6002 -20.6002 -20.4703 -20.4703 -20.4702 -20.4702 -5.7494 -5.7494 -5.7493 -5.7493 -3.9847 -3.9847 -3.9744 -3.9744 -2.8734 -2.8734 -2.8733 -2.8733 2.3820 2.3820 2.3869 2.3869 3.8857 3.8857 3.9426 3.9426 4.1440 4.1440 4.1506 4.1506 4.5172 4.5172 4.5241 4.5241 5.1916 5.1916 5.2014 5.2014 5.9296 5.9296 5.9563 5.9563 6.3654 6.3654 6.3931 6.3931 7.7314 7.7314 7.7441 7.7441 9.7706 9.7706 9.7722 9.7722 10.3864 10.3864 10.4278 10.4278 11.6370 11.6370 11.6805 11.6805 k = 0.5000 0.2773 0.2021 ( 6126 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2191 -28.2191 -28.2190 -28.2190 -20.6006 -20.6006 -20.6001 -20.6001 -20.4702 -20.4702 -20.4701 -20.4701 -5.7578 -5.7578 -5.7577 -5.7577 -3.9910 -3.9910 -3.9792 -3.9792 -2.8503 -2.8503 -2.8502 -2.8502 2.3929 2.3929 2.3978 2.3978 3.8649 3.8649 3.9350 3.9350 4.1470 4.1470 4.1548 4.1548 4.5132 4.5132 4.5139 4.5139 5.1516 5.1516 5.1607 5.1607 5.9315 5.9315 5.9589 5.9589 6.3651 6.3651 6.3991 6.3991 7.7121 7.7121 7.7263 7.7263 9.8622 9.8622 9.8639 9.8639 10.3849 10.3849 10.4329 10.4329 11.6253 11.6253 11.6785 11.6785 k = 0.5000 0.2662 0.2021 ( 6130 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2191 -28.2191 -28.2190 -28.2190 -20.6006 -20.6006 -20.6001 -20.6001 -20.4701 -20.4701 -20.4699 -20.4699 -5.7671 -5.7671 -5.7670 -5.7670 -3.9980 -3.9980 -3.9848 -3.9848 -2.8242 -2.8242 -2.8240 -2.8240 2.4054 2.4054 2.4100 2.4100 3.8446 3.8446 3.9251 3.9251 4.1444 4.1444 4.1502 4.1502 4.5109 4.5109 4.5170 4.5170 5.1066 5.1066 5.1153 5.1153 5.9307 5.9307 5.9586 5.9586 6.3659 6.3659 6.4060 6.4060 7.6957 7.6957 7.7113 7.7113 9.9576 9.9576 9.9591 9.9591 10.3882 10.3882 10.4415 10.4415 11.6118 11.6118 11.6741 11.6741 k = 0.5000 0.2551 0.2021 ( 6128 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2191 -28.2191 -28.2190 -28.2190 -20.6006 -20.6006 -20.6001 -20.6001 -20.4700 -20.4700 -20.4698 -20.4698 -5.7774 -5.7774 -5.7772 -5.7772 -4.0055 -4.0055 -3.9911 -3.9911 -2.7951 -2.7951 -2.7950 -2.7950 2.4193 2.4193 2.4233 2.4233 3.8249 3.8249 3.9140 3.9140 4.1342 4.1342 4.1364 4.1364 4.5163 4.5163 4.5286 4.5286 5.0577 5.0577 5.0663 5.0663 5.9273 5.9273 5.9553 5.9553 6.3671 6.3671 6.4130 6.4130 7.6832 7.6832 7.6999 7.6999 10.0520 10.0520 10.0520 10.0520 10.4002 10.4002 10.4567 10.4567 11.5966 11.5966 11.6674 11.6674 k = 0.5000 0.2440 0.2021 ( 6124 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2191 -28.2191 -28.2189 -28.2189 -20.6006 -20.6006 -20.6000 -20.6000 -20.4699 -20.4699 -20.4696 -20.4696 -5.7883 -5.7883 -5.7881 -5.7881 -4.0135 -4.0135 -3.9981 -3.9981 -2.7635 -2.7635 -2.7633 -2.7633 2.4342 2.4342 2.4374 2.4374 3.8061 3.8061 3.9019 3.9019 4.1147 4.1147 4.1165 4.1165 4.5296 4.5296 4.5469 4.5469 5.0062 5.0062 5.0148 5.0148 5.9212 5.9212 5.9493 5.9493 6.3678 6.3678 6.4191 6.4191 7.6753 7.6753 7.6929 7.6929 10.1345 10.1345 10.1392 10.1392 10.4280 10.4280 10.4837 10.4837 11.5801 11.5801 11.6588 11.6588 k = 0.5000 0.2329 0.2021 ( 6130 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2191 -28.2191 -28.2189 -28.2189 -20.6006 -20.6006 -20.6000 -20.6000 -20.4697 -20.4697 -20.4695 -20.4695 -5.7998 -5.7998 -5.7997 -5.7997 -4.0219 -4.0219 -4.0056 -4.0056 -2.7295 -2.7295 -2.7294 -2.7294 2.4499 2.4499 2.4520 2.4520 3.7879 3.7879 3.8885 3.8885 4.0870 4.0870 4.0930 4.0930 4.5495 4.5495 4.5699 4.5699 4.9532 4.9532 4.9622 4.9622 5.9126 5.9126 5.9410 5.9410 6.3674 6.3674 6.4233 6.4233 7.6723 7.6723 7.6907 7.6907 10.1973 10.1973 10.2112 10.2112 10.4797 10.4797 10.5290 10.5290 11.5628 11.5628 11.6489 11.6489 k = 0.5000 0.2218 0.2021 ( 6128 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2191 -28.2191 -28.2189 -28.2189 -20.6006 -20.6006 -20.5999 -20.5999 -20.4696 -20.4696 -20.4693 -20.4693 -5.8118 -5.8118 -5.8117 -5.8117 -4.0307 -4.0307 -4.0136 -4.0136 -2.6935 -2.6935 -2.6934 -2.6934 2.4660 2.4660 2.4668 2.4668 3.7697 3.7697 3.8726 3.8726 4.0555 4.0555 4.0669 4.0669 4.5741 4.5741 4.5961 4.5961 4.9002 4.9002 4.9098 4.9098 5.9017 5.9017 5.9307 5.9307 6.3650 6.3650 6.4247 6.4247 7.6746 7.6746 7.6933 7.6933 10.2385 10.2385 10.2636 10.2636 10.5559 10.5559 10.5958 10.5958 11.5452 11.5452 11.6381 11.6381 k = 0.5000 0.2107 0.2021 ( 6136 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2191 -28.2191 -28.2189 -28.2189 -20.6006 -20.6006 -20.5999 -20.5999 -20.4694 -20.4694 -20.4692 -20.4692 -5.8241 -5.8241 -5.8240 -5.8240 -4.0396 -4.0396 -4.0220 -4.0220 -2.6558 -2.6558 -2.6556 -2.6556 2.4816 2.4816 2.4823 2.4823 3.7507 3.7507 3.8521 3.8521 4.0227 4.0227 4.0419 4.0419 4.6016 4.6016 4.6237 4.6237 4.8483 4.8483 4.8588 4.8588 5.8885 5.8885 5.9186 5.9186 6.3601 6.3601 6.4226 6.4226 7.6820 7.6820 7.7008 7.7008 10.2657 10.2657 10.2994 10.2994 10.6476 10.6476 10.6799 10.6799 11.5280 11.5280 11.6271 11.6271 k = 0.5000 0.1996 0.2021 ( 6142 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2191 -28.2191 -28.2189 -28.2189 -20.6006 -20.6006 -20.5999 -20.5999 -20.4693 -20.4693 -20.4690 -20.4690 -5.8366 -5.8366 -5.8365 -5.8365 -4.0488 -4.0488 -4.0308 -4.0308 -2.6166 -2.6166 -2.6165 -2.6165 2.4960 2.4960 2.4984 2.4984 3.7295 3.7295 3.8246 3.8246 3.9910 3.9910 4.0217 4.0217 4.6302 4.6302 4.6511 4.6511 4.7992 4.7992 4.8110 4.8110 5.8732 5.8732 5.9050 5.9050 6.3525 6.3525 6.4167 6.4167 7.6943 7.6943 7.7130 7.7130 10.2870 10.2870 10.3255 10.3255 10.7451 10.7451 10.7731 10.7731 11.5120 11.5120 11.6167 11.6167 k = 0.5000 0.1886 0.2021 ( 6150 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2191 -28.2191 -28.2189 -28.2189 -20.6006 -20.6006 -20.5999 -20.5999 -20.4691 -20.4691 -20.4689 -20.4689 -5.8492 -5.8492 -5.8490 -5.8490 -4.0579 -4.0579 -4.0398 -4.0398 -2.5764 -2.5764 -2.5762 -2.5762 2.5098 2.5098 2.5140 2.5140 3.7043 3.7043 3.7888 3.7888 3.9630 3.9630 4.0086 4.0086 4.6566 4.6566 4.6748 4.6748 4.7561 4.7561 4.7700 4.7700 5.8559 5.8559 5.8899 5.8899 6.3419 6.3419 6.4068 6.4068 7.7112 7.7112 7.7294 7.7294 10.3070 10.3070 10.3472 10.3472 10.8422 10.8422 10.8686 10.8686 11.4983 11.4983 11.6077 11.6077 k = 0.5000 0.1775 0.2021 ( 6150 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2191 -28.2191 -28.2189 -28.2189 -20.6006 -20.6006 -20.5999 -20.5999 -20.4689 -20.4689 -20.4687 -20.4687 -5.8617 -5.8617 -5.8615 -5.8615 -4.0671 -4.0671 -4.0489 -4.0489 -2.5354 -2.5354 -2.5352 -2.5352 2.5228 2.5228 2.5288 2.5288 3.6736 3.6736 3.7454 3.7454 3.9412 3.9412 4.0028 4.0028 4.6685 4.6685 4.6822 4.6822 4.7315 4.7315 4.7485 4.7485 5.8365 5.8365 5.8736 5.8736 6.3284 6.3284 6.3928 6.3928 7.7322 7.7322 7.7497 7.7497 10.3279 10.3279 10.3672 10.3672 10.9342 10.9342 10.9617 10.9617 11.4885 11.4885 11.6010 11.6010 k = 0.5000 0.1664 0.2021 ( 6148 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2191 -28.2191 -28.2189 -28.2189 -20.6006 -20.6006 -20.5999 -20.5999 -20.4687 -20.4687 -20.4685 -20.4685 -5.8740 -5.8740 -5.8738 -5.8738 -4.0761 -4.0761 -4.0580 -4.0580 -2.4940 -2.4940 -2.4939 -2.4939 2.5347 2.5347 2.5425 2.5425 3.6368 3.6368 3.6963 3.6963 3.9267 3.9267 4.0028 4.0028 4.6482 4.6482 4.6609 4.6609 4.7431 4.7431 4.7591 4.7591 5.8151 5.8151 5.8561 5.8561 6.3124 6.3124 6.3751 6.3751 7.7566 7.7566 7.7733 7.7733 10.3504 10.3504 10.3871 10.3871 11.0175 11.0175 11.0491 11.0491 11.4846 11.4846 11.5978 11.5978 k = 0.5000 0.1553 0.2021 ( 6148 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2190 -28.2190 -28.2189 -28.2189 -20.6006 -20.6006 -20.5999 -20.5999 -20.4686 -20.4686 -20.4683 -20.4683 -5.8860 -5.8860 -5.8859 -5.8859 -4.0849 -4.0849 -4.0672 -4.0672 -2.4527 -2.4527 -2.4526 -2.4526 2.5455 2.5455 2.5548 2.5548 3.5944 3.5944 3.6437 3.6437 3.9195 3.9195 4.0070 4.0070 4.6182 4.6182 4.6316 4.6316 4.7688 4.7688 4.7813 4.7813 5.7917 5.7917 5.8372 5.8372 6.2943 6.2943 6.3542 6.3542 7.7838 7.7838 7.7995 7.7995 10.3748 10.3748 10.4074 10.4074 11.0886 11.0886 11.1282 11.1282 11.4892 11.4892 11.5991 11.5991 k = 0.5000 0.1442 0.2021 ( 6156 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2190 -28.2190 -28.2189 -28.2189 -20.6006 -20.6006 -20.5999 -20.5999 -20.4684 -20.4684 -20.4681 -20.4681 -5.8977 -5.8977 -5.8975 -5.8975 -4.0934 -4.0934 -4.0762 -4.0762 -2.4118 -2.4118 -2.4116 -2.4116 2.5549 2.5549 2.5656 2.5656 3.5481 3.5481 3.5891 3.5891 3.9185 3.9185 4.0140 4.0140 4.5908 4.5908 4.6047 4.6047 4.7963 4.7963 4.8047 4.8047 5.7661 5.7661 5.8168 5.8168 6.2747 6.2747 6.3307 6.3307 7.8132 7.8132 7.8278 7.8278 10.4007 10.4007 10.4280 10.4280 11.1446 11.1446 11.1972 11.1972 11.5044 11.5044 11.6061 11.6061 k = 0.5000 0.1331 0.2021 ( 6162 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2191 -28.2191 -28.2189 -28.2189 -20.6006 -20.6006 -20.5999 -20.5999 -20.4682 -20.4682 -20.4680 -20.4680 -5.9088 -5.9088 -5.9086 -5.9086 -4.1015 -4.1015 -4.0850 -4.0850 -2.3716 -2.3716 -2.3715 -2.3715 2.5629 2.5629 2.5747 2.5747 3.4996 3.4996 3.5340 3.5340 3.9225 3.9225 4.0225 4.0225 4.5687 4.5687 4.5824 4.5824 4.8233 4.8233 4.8272 4.8272 5.7383 5.7383 5.7949 5.7949 6.2543 6.2543 6.3056 6.3056 7.8441 7.8441 7.8574 7.8574 10.4274 10.4274 10.4487 10.4487 11.1852 11.1852 11.2548 11.2548 11.5305 11.5305 11.6193 11.6193 k = 0.5000 0.1220 0.2021 ( 6166 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2190 -28.2190 -28.2189 -28.2189 -20.6005 -20.6005 -20.5999 -20.5999 -20.4681 -20.4681 -20.4679 -20.4679 -5.9193 -5.9193 -5.9192 -5.9192 -4.1092 -4.1092 -4.0934 -4.0934 -2.3326 -2.3326 -2.3325 -2.3325 2.5695 2.5695 2.5820 2.5820 3.4506 3.4506 3.4798 3.4798 3.9299 3.9299 4.0312 4.0312 4.5530 4.5530 4.5657 4.5657 4.8480 4.8480 4.8489 4.8489 5.7086 5.7086 5.7712 5.7712 6.2339 6.2339 6.2796 6.2796 7.8756 7.8756 7.8878 7.8878 10.4542 10.4542 10.4689 10.4689 11.2133 11.2133 11.3010 11.3010 11.5650 11.5650 11.6386 11.6386 k = 0.5000 0.1109 0.2021 ( 6168 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2190 -28.2190 -28.2189 -28.2189 -20.6005 -20.6005 -20.5999 -20.5999 -20.4679 -20.4679 -20.4677 -20.4677 -5.9292 -5.9292 -5.9291 -5.9291 -4.1163 -4.1163 -4.1016 -4.1016 -2.2952 -2.2952 -2.2951 -2.2951 2.5746 2.5746 2.5875 2.5875 3.4024 3.4024 3.4273 3.4273 3.9397 3.9397 4.0391 4.0391 4.5442 4.5442 4.5548 4.5548 4.8667 4.8667 4.8725 4.8725 5.6770 5.6770 5.7456 5.7456 6.2140 6.2140 6.2538 6.2538 7.9073 7.9073 7.9182 7.9182 10.4800 10.4800 10.4880 10.4880 11.2336 11.2336 11.3371 11.3371 11.6034 11.6034 11.6625 11.6625 k = 0.5000 0.0998 0.2021 ( 6158 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2190 -28.2190 -28.2188 -28.2188 -20.6004 -20.6004 -20.5999 -20.5999 -20.4677 -20.4677 -20.4675 -20.4675 -5.9384 -5.9384 -5.9382 -5.9382 -4.1229 -4.1229 -4.1092 -4.1092 -2.2598 -2.2598 -2.2598 -2.2598 2.5783 2.5783 2.5912 2.5912 3.3562 3.3562 3.3776 3.3776 3.9507 3.9507 4.0454 4.0454 4.5423 4.5423 4.5501 4.5501 4.8830 4.8830 4.8939 4.8939 5.6441 5.6441 5.7179 5.7179 6.1954 6.1954 6.2289 6.2289 7.9383 7.9383 7.9480 7.9480 10.5039 10.5039 10.5057 10.5057 11.2505 11.2505 11.3654 11.3654 11.6419 11.6419 11.6891 11.6891 k = 0.5000 0.0887 0.2021 ( 6156 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2189 -28.2189 -28.2188 -28.2188 -20.6004 -20.6004 -20.5999 -20.5999 -20.4676 -20.4676 -20.4674 -20.4674 -5.9467 -5.9467 -5.9466 -5.9466 -4.1289 -4.1289 -4.1164 -4.1164 -2.2269 -2.2269 -2.2268 -2.2268 2.5808 2.5808 2.5933 2.5933 3.3131 3.3131 3.3314 3.3314 3.9620 3.9620 4.0495 4.0495 4.5471 4.5471 4.5514 4.5514 4.8969 4.8969 4.9125 4.9125 5.6105 5.6105 5.6884 5.6884 6.1783 6.1783 6.2059 6.2059 7.9680 7.9680 7.9765 7.9765 10.5215 10.5215 10.5249 10.5249 11.2671 11.2671 11.3879 11.3879 11.6781 11.6781 11.7164 11.7164 k = 0.5000 0.0776 0.2021 ( 6154 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2189 -28.2189 -28.2188 -28.2188 -20.6004 -20.6004 -20.5999 -20.5999 -20.4674 -20.4674 -20.4673 -20.4673 -5.9542 -5.9542 -5.9541 -5.9541 -4.1342 -4.1342 -4.1230 -4.1230 -2.1966 -2.1966 -2.1966 -2.1966 2.5822 2.5822 2.5940 2.5940 3.2739 3.2739 3.2894 3.2894 3.9730 3.9730 4.0514 4.0514 4.5577 4.5577 4.5583 4.5583 4.9081 4.9081 4.9280 4.9280 5.5773 5.5773 5.6572 5.6572 6.1632 6.1632 6.1852 6.1852 7.9959 7.9959 8.0033 8.0033 10.5352 10.5352 10.5426 10.5426 11.2852 11.2852 11.4060 11.4060 11.7108 11.7108 11.7427 11.7427 k = 0.5000 0.0665 0.2021 ( 6162 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2189 -28.2189 -28.2188 -28.2188 -20.6004 -20.6004 -20.6000 -20.6000 -20.4673 -20.4673 -20.4672 -20.4672 -5.9608 -5.9608 -5.9607 -5.9607 -4.1387 -4.1387 -4.1290 -4.1290 -2.1696 -2.1696 -2.1696 -2.1696 2.5827 2.5827 2.5934 2.5934 3.2391 3.2391 3.2522 3.2522 3.9832 3.9832 4.0512 4.0512 4.5702 4.5702 4.5729 4.5729 4.9169 4.9169 4.9401 4.9401 5.5456 5.5456 5.6250 5.6250 6.1501 6.1501 6.1672 6.1672 8.0214 8.0214 8.0277 8.0277 10.5467 10.5467 10.5566 10.5566 11.3053 11.3053 11.4206 11.4206 11.7395 11.7395 11.7670 11.7670 k = 0.5000 0.0555 0.2021 ( 6158 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2189 -28.2189 -28.2188 -28.2188 -20.6003 -20.6003 -20.6000 -20.6000 -20.4672 -20.4672 -20.4671 -20.4671 -5.9665 -5.9665 -5.9664 -5.9664 -4.1425 -4.1425 -4.1342 -4.1342 -2.1461 -2.1461 -2.1460 -2.1460 2.5825 2.5825 2.5919 2.5919 3.2094 3.2094 3.2200 3.2200 3.9923 3.9923 4.0492 4.0492 4.5859 4.5859 4.5910 4.5910 4.9234 4.9234 4.9484 4.9484 5.5171 5.5171 5.5926 5.5926 6.1393 6.1393 6.1521 6.1521 8.0440 8.0440 8.0492 8.0492 10.5561 10.5561 10.5669 10.5669 11.3270 11.3270 11.4316 11.4316 11.7644 11.7644 11.7885 11.7885 k = 0.5000 0.0444 0.2021 ( 6160 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2189 -28.2189 -28.2188 -28.2188 -20.6003 -20.6003 -20.6000 -20.6000 -20.4671 -20.4671 -20.4670 -20.4670 -5.9712 -5.9712 -5.9711 -5.9711 -4.1454 -4.1454 -4.1388 -4.1388 -2.1263 -2.1263 -2.1263 -2.1263 2.5820 2.5820 2.5898 2.5898 3.1849 3.1849 3.1933 3.1933 4.0005 4.0005 4.0459 4.0459 4.6038 4.6038 4.6101 4.6101 4.9280 4.9280 4.9527 4.9527 5.4935 5.4935 5.5612 5.5612 6.1306 6.1306 6.1398 6.1398 8.0632 8.0632 8.0673 8.0673 10.5636 10.5636 10.5740 10.5740 11.3496 11.3496 11.4389 11.4389 11.7856 11.7856 11.8066 11.8066 k = 0.5000 0.0333 0.2021 ( 6166 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2189 -28.2189 -28.2188 -28.2188 -20.6003 -20.6003 -20.6000 -20.6000 -20.4671 -20.4671 -20.4670 -20.4670 -5.9748 -5.9748 -5.9748 -5.9748 -4.1476 -4.1476 -4.1425 -4.1425 -2.1107 -2.1107 -2.1107 -2.1107 2.5814 2.5814 2.5874 2.5874 3.1660 3.1660 3.1722 3.1722 4.0078 4.0078 4.0416 4.0416 4.6219 4.6219 4.6281 4.6281 4.9313 4.9313 4.9532 4.9532 5.4762 5.4762 5.5320 5.5320 6.1241 6.1241 6.1304 6.1304 8.0787 8.0787 8.0817 8.0817 10.5694 10.5694 10.5783 10.5783 11.3718 11.3718 11.4421 11.4421 11.8032 11.8032 11.8206 11.8206 k = 0.5000 0.0222 0.2021 ( 6166 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2189 -28.2189 -28.2189 -28.2189 -20.6002 -20.6002 -20.6001 -20.6001 -20.4670 -20.4670 -20.4670 -20.4670 -5.9775 -5.9775 -5.9774 -5.9774 -4.1489 -4.1489 -4.1455 -4.1455 -2.0994 -2.0994 -2.0993 -2.0993 2.5811 2.5811 2.5851 2.5851 3.1527 3.1527 3.1568 3.1568 4.0143 4.0143 4.0368 4.0368 4.6379 4.6379 4.6428 4.6428 4.9341 4.9341 4.9506 4.9506 5.4665 5.4665 5.5064 5.5064 6.1197 6.1197 6.1236 6.1236 8.0901 8.0901 8.0921 8.0921 10.5740 10.5740 10.5803 10.5803 11.3924 11.3924 11.4408 11.4408 11.8172 11.8172 11.8298 11.8298 k = 0.5000 0.0111 0.2021 ( 6164 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2189 -28.2189 -28.2188 -28.2188 -20.6002 -20.6002 -20.6001 -20.6001 -20.4670 -20.4670 -20.4669 -20.4669 -5.9790 -5.9790 -5.9790 -5.9790 -4.1493 -4.1493 -4.1476 -4.1476 -2.0925 -2.0925 -2.0925 -2.0925 2.5812 2.5812 2.5832 2.5832 3.1451 3.1451 3.1471 3.1471 4.0204 4.0204 4.0316 4.0316 4.6494 4.6494 4.6520 4.6520 4.9372 4.9372 4.9462 4.9462 5.4651 5.4651 5.4859 5.4859 6.1174 6.1174 6.1193 6.1193 8.0973 8.0973 8.0983 8.0983 10.5773 10.5773 10.5806 10.5806 11.4104 11.4104 11.4351 11.4351 11.8272 11.8272 11.8339 11.8339 k = 0.5000-0.0000 0.2021 ( 6164 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2189 -28.2189 -28.2189 -28.2189 -20.6001 -20.6001 -20.6001 -20.6001 -20.4669 -20.4669 -20.4669 -20.4669 -5.9796 -5.9796 -5.9796 -5.9796 -4.1489 -4.1489 -4.1489 -4.1489 -2.0902 -2.0902 -2.0902 -2.0902 2.5819 2.5819 2.5819 2.5819 3.1432 3.1432 3.1432 3.1432 4.0261 4.0261 4.0261 4.0261 4.6544 4.6544 4.6544 4.6544 4.9413 4.9413 4.9413 4.9413 5.4718 5.4718 5.4718 5.4718 6.1172 6.1172 6.1172 6.1172 8.1000 8.1000 8.1000 8.1000 10.5796 10.5796 10.5796 10.5796 11.4248 11.4248 11.4248 11.4248 11.8329 11.8329 11.8329 11.8329 k = 0.5000-0.0000 0.2021 ( 6164 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2189 -28.2189 -28.2189 -28.2189 -20.6001 -20.6001 -20.6001 -20.6001 -20.4669 -20.4669 -20.4669 -20.4669 -5.9796 -5.9796 -5.9796 -5.9796 -4.1489 -4.1489 -4.1489 -4.1489 -2.0902 -2.0902 -2.0902 -2.0902 2.5819 2.5819 2.5819 2.5819 3.1432 3.1432 3.1432 3.1432 4.0261 4.0261 4.0261 4.0261 4.6544 4.6544 4.6544 4.6544 4.9413 4.9413 4.9413 4.9413 5.4718 5.4718 5.4718 5.4718 6.1172 6.1172 6.1172 6.1172 8.1000 8.1000 8.1000 8.1000 10.5796 10.5796 10.5796 10.5796 11.4248 11.4248 11.4248 11.4248 11.8329 11.8329 11.8329 11.8329 k = 0.5000-0.0000 0.1909 ( 6168 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2189 -28.2189 -28.2189 -28.2189 -20.6002 -20.6002 -20.6002 -20.6002 -20.4670 -20.4670 -20.4670 -20.4670 -5.9796 -5.9796 -5.9796 -5.9796 -4.1489 -4.1489 -4.1489 -4.1489 -2.0902 -2.0902 -2.0902 -2.0902 2.5821 2.5821 2.5830 2.5830 3.1418 3.1418 3.1448 3.1448 4.0228 4.0228 4.0260 4.0260 4.6526 4.6526 4.6563 4.6563 4.9403 4.9403 4.9424 4.9424 5.4712 5.4712 5.4732 5.4732 6.1124 6.1124 6.1227 6.1227 8.0969 8.0969 8.1063 8.1063 10.5749 10.5749 10.5813 10.5813 11.4172 11.4172 11.4245 11.4245 11.8284 11.8284 11.8412 11.8412 k = 0.5000-0.0000 0.1797 ( 6170 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2189 -28.2189 -28.2189 -28.2189 -20.6002 -20.6002 -20.6002 -20.6002 -20.4670 -20.4670 -20.4670 -20.4670 -5.9796 -5.9796 -5.9795 -5.9795 -4.1490 -4.1490 -4.1489 -4.1489 -2.0902 -2.0902 -2.0902 -2.0902 2.5836 2.5836 2.5854 2.5854 3.1405 3.1405 3.1465 3.1465 4.0160 4.0160 4.0224 4.0224 4.6510 4.6510 4.6583 4.6583 4.9395 4.9395 4.9437 4.9437 5.4714 5.4714 5.4755 5.4755 6.1083 6.1083 6.1286 6.1286 8.0970 8.0970 8.1156 8.1156 10.5674 10.5674 10.5801 10.5801 11.4026 11.4026 11.4160 11.4160 11.8284 11.8284 11.8519 11.8519 k = 0.5000-0.0000 0.1685 ( 6164 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2189 -28.2189 -28.2189 -28.2189 -20.6001 -20.6001 -20.6001 -20.6001 -20.4670 -20.4670 -20.4670 -20.4670 -5.9795 -5.9795 -5.9795 -5.9795 -4.1490 -4.1490 -4.1490 -4.1490 -2.0902 -2.0902 -2.0902 -2.0902 2.5865 2.5865 2.5891 2.5891 3.1395 3.1395 3.1483 3.1483 4.0060 4.0060 4.0155 4.0155 4.6497 4.6497 4.6604 4.6604 4.9386 4.9386 4.9450 4.9450 5.4724 5.4724 5.4785 5.4785 6.1052 6.1052 6.1348 6.1348 8.1004 8.1004 8.1276 8.1276 10.5574 10.5574 10.5760 10.5760 11.3824 11.3824 11.3997 11.3997 11.8326 11.8326 11.8635 11.8635 k = 0.5000-0.0000 0.1572 ( 6158 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2188 -28.2188 -28.2188 -28.2188 -20.6001 -20.6001 -20.6001 -20.6001 -20.4669 -20.4669 -20.4669 -20.4669 -5.9795 -5.9795 -5.9795 -5.9795 -4.1491 -4.1491 -4.1491 -4.1491 -2.0903 -2.0903 -2.0902 -2.0902 2.5905 2.5905 2.5940 2.5940 3.1387 3.1387 3.1503 3.1503 3.9929 3.9929 4.0053 4.0053 4.6487 4.6487 4.6626 4.6626 4.9379 4.9379 4.9465 4.9465 5.4741 5.4741 5.4821 5.4821 6.1030 6.1030 6.1409 6.1409 8.1070 8.1070 8.1421 8.1421 10.5451 10.5451 10.5691 10.5691 11.3576 11.3576 11.3768 11.3768 11.8405 11.8405 11.8747 11.8747 k = 0.5000-0.0000 0.1460 ( 6160 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2188 -28.2188 -28.2188 -28.2188 -20.6001 -20.6001 -20.6001 -20.6001 -20.4670 -20.4670 -20.4669 -20.4669 -5.9795 -5.9795 -5.9794 -5.9794 -4.1492 -4.1492 -4.1492 -4.1492 -2.0903 -2.0903 -2.0902 -2.0902 2.5957 2.5957 2.6000 2.6000 3.1382 3.1382 3.1523 3.1523 3.9773 3.9773 3.9922 3.9922 4.6481 4.6481 4.6649 4.6649 4.9372 4.9372 4.9479 4.9479 5.4764 5.4764 5.4863 5.4863 6.1019 6.1019 6.1470 6.1470 8.1168 8.1168 8.1587 8.1587 10.5308 10.5308 10.5597 10.5597 11.3294 11.3294 11.3487 11.3487 11.8505 11.8505 11.8846 11.8846 k = 0.5000-0.0000 0.1348 ( 6156 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2188 -28.2188 -28.2188 -28.2188 -20.6001 -20.6001 -20.6001 -20.6001 -20.4669 -20.4669 -20.4669 -20.4669 -5.9794 -5.9794 -5.9794 -5.9794 -4.1493 -4.1493 -4.1493 -4.1493 -2.0903 -2.0903 -2.0902 -2.0902 2.6018 2.6018 2.6068 2.6068 3.1380 3.1380 3.1545 3.1545 3.9594 3.9594 3.9765 3.9765 4.6480 4.6480 4.6672 4.6672 4.9365 4.9365 4.9494 4.9494 5.4791 5.4791 5.4907 5.4907 6.1019 6.1019 6.1526 6.1526 8.1295 8.1295 8.1771 8.1771 10.5151 10.5151 10.5480 10.5480 11.2988 11.2988 11.3170 11.3170 11.8616 11.8616 11.8929 11.8929 k = 0.5000-0.0000 0.1235 ( 6156 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2188 -28.2188 -28.2188 -28.2188 -20.6001 -20.6001 -20.6001 -20.6001 -20.4669 -20.4669 -20.4669 -20.4669 -5.9794 -5.9794 -5.9794 -5.9794 -4.1495 -4.1495 -4.1494 -4.1494 -2.0904 -2.0904 -2.0903 -2.0903 2.6087 2.6087 2.6144 2.6144 3.1383 3.1383 3.1568 3.1568 3.9397 3.9397 3.9586 3.9586 4.6485 4.6485 4.6696 4.6696 4.9359 4.9359 4.9506 4.9506 5.4822 5.4822 5.4953 5.4953 6.1029 6.1029 6.1578 6.1578 8.1448 8.1448 8.1966 8.1966 10.4984 10.4984 10.5344 10.5344 11.2667 11.2667 11.2830 11.2830 11.8727 11.8727 11.8994 11.8994 k = 0.5000-0.0000 0.1123 ( 6156 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2188 -28.2188 -28.2188 -28.2188 -20.6001 -20.6001 -20.6001 -20.6001 -20.4669 -20.4669 -20.4669 -20.4669 -5.9794 -5.9794 -5.9793 -5.9793 -4.1496 -4.1496 -4.1496 -4.1496 -2.0904 -2.0904 -2.0903 -2.0903 2.6163 2.6163 2.6224 2.6224 3.1391 3.1391 3.1591 3.1591 3.9188 3.9188 3.9391 3.9391 4.6494 4.6494 4.6719 4.6719 4.9354 4.9354 4.9517 4.9517 5.4855 5.4855 5.4997 5.4997 6.1049 6.1049 6.1622 6.1622 8.1623 8.1623 8.2169 8.2169 10.4811 10.4811 10.5193 10.5193 11.2338 11.2338 11.2480 11.2480 11.8828 11.8828 11.9043 11.9043 k = 0.5000-0.0000 0.1011 ( 6156 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2188 -28.2188 -28.2188 -28.2188 -20.6001 -20.6001 -20.6001 -20.6001 -20.4669 -20.4669 -20.4669 -20.4669 -5.9793 -5.9793 -5.9793 -5.9793 -4.1498 -4.1498 -4.1497 -4.1497 -2.0905 -2.0905 -2.0904 -2.0904 2.6243 2.6243 2.6308 2.6308 3.1404 3.1404 3.1616 3.1616 3.8972 3.8972 3.9184 3.9184 4.6509 4.6509 4.6741 4.6741 4.9351 4.9351 4.9526 4.9526 5.4890 5.4890 5.5039 5.5039 6.1079 6.1079 6.1658 6.1658 8.1816 8.1816 8.2374 8.2374 10.4637 10.4637 10.5031 10.5031 11.2010 11.2010 11.2131 11.2131 11.8917 11.8917 11.9080 11.9080 k = 0.5000-0.0000 0.0898 ( 6158 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2188 -28.2188 -28.2188 -28.2188 -20.6001 -20.6001 -20.6001 -20.6001 -20.4669 -20.4669 -20.4669 -20.4669 -5.9793 -5.9793 -5.9792 -5.9792 -4.1499 -4.1499 -4.1499 -4.1499 -2.0905 -2.0905 -2.0904 -2.0904 2.6325 2.6325 2.6391 2.6391 3.1423 3.1423 3.1640 3.1640 3.8757 3.8757 3.8971 3.8971 4.6529 4.6529 4.6761 4.6761 4.9351 4.9351 4.9531 4.9531 5.4925 5.4925 5.5077 5.5077 6.1118 6.1118 6.1684 6.1684 8.2021 8.2021 8.2575 8.2575 10.4467 10.4467 10.4862 10.4862 11.1690 11.1690 11.1792 11.1792 11.8989 11.8989 11.9106 11.9106 k = 0.5000-0.0000 0.0786 ( 6158 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2188 -28.2188 -28.2188 -28.2188 -20.6001 -20.6001 -20.6001 -20.6001 -20.4669 -20.4669 -20.4669 -20.4669 -5.9792 -5.9792 -5.9792 -5.9792 -4.1501 -4.1501 -4.1500 -4.1500 -2.0905 -2.0905 -2.0904 -2.0904 2.6407 2.6407 2.6472 2.6472 3.1448 3.1448 3.1663 3.1663 3.8548 3.8548 3.8758 3.8758 4.6552 4.6552 4.6777 4.6777 4.9354 4.9354 4.9533 4.9533 5.4960 5.4960 5.5109 5.5109 6.1163 6.1163 6.1701 6.1701 8.2232 8.2232 8.2764 8.2764 10.4308 10.4308 10.4691 10.4691 11.1387 11.1387 11.1472 11.1472 11.9046 11.9046 11.9125 11.9125 k = 0.5000-0.0000 0.0674 ( 6156 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2188 -28.2188 -28.2188 -28.2188 -20.6001 -20.6001 -20.6001 -20.6001 -20.4669 -20.4669 -20.4669 -20.4669 -5.9792 -5.9792 -5.9791 -5.9791 -4.1502 -4.1502 -4.1501 -4.1501 -2.0906 -2.0906 -2.0905 -2.0905 2.6485 2.6485 2.6548 2.6548 3.1478 3.1478 3.1685 3.1685 3.8352 3.8352 3.8551 3.8551 4.6579 4.6579 4.6789 4.6789 4.9360 4.9360 4.9532 4.9532 5.4995 5.4995 5.5135 5.5135 6.1215 6.1215 6.1708 6.1708 8.2443 8.2443 8.2937 8.2937 10.4163 10.4163 10.4523 10.4523 11.1108 11.1108 11.1178 11.1178 11.9089 11.9089 11.9138 11.9138 k = 0.5000-0.0000 0.0562 ( 6154 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2188 -28.2188 -28.2188 -28.2188 -20.6001 -20.6001 -20.6001 -20.6001 -20.4669 -20.4669 -20.4669 -20.4669 -5.9791 -5.9791 -5.9791 -5.9791 -4.1503 -4.1503 -4.1503 -4.1503 -2.0906 -2.0906 -2.0905 -2.0905 2.6558 2.6558 2.6616 2.6616 3.1512 3.1512 3.1702 3.1702 3.8177 3.8177 3.8358 3.8358 4.6608 4.6608 4.6796 4.6796 4.9369 4.9369 4.9527 4.9527 5.5028 5.5028 5.5154 5.5154 6.1270 6.1270 6.1704 6.1704 8.2647 8.2647 8.3087 8.3087 10.4037 10.4037 10.4361 10.4361 11.0860 11.0860 11.0917 11.0917 11.9120 11.9120 11.9148 11.9148 k = 0.5000-0.0000 0.0449 ( 6160 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2188 -28.2188 -28.2188 -28.2188 -20.6001 -20.6001 -20.6001 -20.6001 -20.4670 -20.4670 -20.4670 -20.4670 -5.9791 -5.9791 -5.9790 -5.9790 -4.1504 -4.1504 -4.1504 -4.1504 -2.0906 -2.0906 -2.0906 -2.0906 2.6623 2.6623 2.6673 2.6673 3.1549 3.1549 3.1715 3.1715 3.8028 3.8028 3.8183 3.8183 4.6638 4.6638 4.6798 4.6798 4.9382 4.9382 4.9518 4.9518 5.5058 5.5058 5.5166 5.5166 6.1328 6.1328 6.1691 6.1691 8.2837 8.2837 8.3208 8.3208 10.3936 10.3936 10.4212 10.4212 11.0649 11.0649 11.0694 11.0694 11.9141 11.9141 11.9155 11.9155 k = 0.5000-0.0000 0.0337 ( 6156 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2188 -28.2188 -28.2188 -28.2188 -20.6001 -20.6001 -20.6001 -20.6001 -20.4669 -20.4669 -20.4669 -20.4669 -5.9790 -5.9790 -5.9790 -5.9790 -4.1505 -4.1505 -4.1505 -4.1505 -2.0906 -2.0906 -2.0906 -2.0906 2.6679 2.6679 2.6718 2.6718 3.1588 3.1588 3.1720 3.1720 3.7910 3.7910 3.8034 3.8034 4.6668 4.6668 4.6793 4.6793 4.9398 4.9398 4.9506 4.9506 5.5087 5.5087 5.5172 5.5172 6.1387 6.1387 6.1668 6.1668 8.3005 8.3005 8.3295 8.3295 10.3863 10.3863 10.4081 10.4081 11.0480 11.0480 11.0514 11.0514 11.9154 11.9154 11.9160 11.9160 k = 0.5000-0.0000 0.0225 ( 6158 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2188 -28.2188 -28.2188 -28.2188 -20.6001 -20.6001 -20.6001 -20.6001 -20.4670 -20.4670 -20.4669 -20.4669 -5.9790 -5.9790 -5.9790 -5.9790 -4.1506 -4.1506 -4.1505 -4.1505 -2.0907 -2.0907 -2.0906 -2.0906 2.6722 2.6722 2.6749 2.6749 3.1625 3.1625 3.1718 3.1718 3.7830 3.7830 3.7916 3.7916 4.6697 4.6697 4.6783 4.6783 4.9416 4.9416 4.9491 4.9491 5.5112 5.5112 5.5170 5.5170 6.1445 6.1445 6.1637 6.1637 8.3145 8.3145 8.3345 8.3345 10.3820 10.3820 10.3971 10.3971 11.0359 11.0359 11.0381 11.0381 11.9162 11.9162 11.9163 11.9163 k = 0.5000-0.0000 0.0112 ( 6158 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2188 -28.2188 -28.2188 -28.2188 -20.6001 -20.6001 -20.6001 -20.6001 -20.4670 -20.4670 -20.4670 -20.4670 -5.9790 -5.9790 -5.9790 -5.9790 -4.1506 -4.1506 -4.1506 -4.1506 -2.0907 -2.0907 -2.0906 -2.0906 2.6751 2.6751 2.6766 2.6766 3.1659 3.1659 3.1706 3.1706 3.7790 3.7790 3.7834 3.7834 4.6724 4.6724 4.6768 4.6768 4.9435 4.9435 4.9473 4.9473 5.5133 5.5133 5.5163 5.5163 6.1500 6.1500 6.1597 6.1597 8.3253 8.3253 8.3355 8.3355 10.3810 10.3810 10.3887 10.3887 11.0287 11.0287 11.0298 11.0298 11.9166 11.9166 11.9166 11.9166 k = 0.5000-0.0000-0.0000 ( 6154 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2188 -28.2188 -28.2188 -28.2188 -20.6001 -20.6001 -20.6001 -20.6001 -20.4670 -20.4670 -20.4670 -20.4670 -5.9790 -5.9790 -5.9790 -5.9790 -4.1506 -4.1506 -4.1506 -4.1506 -2.0906 -2.0906 -2.0906 -2.0906 2.6766 2.6766 2.6766 2.6766 3.1686 3.1686 3.1686 3.1686 3.7791 3.7791 3.7791 3.7791 4.6748 4.6748 4.6748 4.6748 4.9454 4.9454 4.9454 4.9454 5.5151 5.5151 5.5151 5.5151 6.1551 6.1551 6.1551 6.1551 8.3324 8.3324 8.3324 8.3324 10.3832 10.3832 10.3832 10.3832 11.0266 11.0266 11.0266 11.0266 11.9167 11.9167 11.9167 11.9167 k = 0.0000 0.0000 0.2021 ( 6162 PWs) bands (ev): -53.8908 -53.8908 -53.8888 -53.8888 -28.2050 -28.2050 -28.1918 -28.1918 -20.5512 -20.5512 -20.4909 -20.4909 -20.4533 -20.4533 -20.4405 -20.4405 -6.6559 -6.6559 -6.2824 -6.2824 -4.9211 -4.9211 -3.7157 -3.7157 -2.8974 -2.8974 -1.7615 -1.7615 2.4097 2.4097 2.4283 2.4283 2.8733 2.8733 3.1704 3.1704 4.2125 4.2125 4.6290 4.6290 4.6551 4.6551 5.5239 5.5239 5.9351 5.9351 5.9757 5.9757 6.1128 6.1128 7.2244 7.2244 7.3277 7.3277 7.4848 7.4848 8.6218 8.6218 8.7514 8.7514 8.9189 8.9189 9.8201 9.8201 10.8260 10.8260 10.9542 10.9542 11.0504 11.0504 11.6130 11.6130 k = 0.0114-0.0000 0.2021 ( 6162 PWs) bands (ev): -53.8908 -53.8908 -53.8888 -53.8888 -28.2051 -28.2051 -28.1919 -28.1919 -20.5512 -20.5512 -20.4909 -20.4909 -20.4534 -20.4534 -20.4406 -20.4406 -6.6553 -6.6553 -6.2816 -6.2816 -4.9209 -4.9209 -3.7156 -3.7156 -2.8969 -2.8969 -1.7615 -1.7615 2.4102 2.4102 2.4298 2.4298 2.8730 2.8730 3.1711 3.1711 4.2133 4.2133 4.6272 4.6272 4.6531 4.6531 5.5217 5.5217 5.9251 5.9251 5.9801 5.9801 6.1143 6.1143 7.2203 7.2203 7.3247 7.3247 7.4807 7.4807 8.6274 8.6274 8.7450 8.7450 8.9291 8.9291 9.8205 9.8205 10.8247 10.8247 10.9559 10.9559 11.0465 11.0465 11.6126 11.6126 k = 0.0227-0.0000 0.2021 ( 6162 PWs) bands (ev): -53.8908 -53.8908 -53.8888 -53.8888 -28.2051 -28.2051 -28.1919 -28.1919 -20.5512 -20.5512 -20.4910 -20.4910 -20.4537 -20.4537 -20.4410 -20.4410 -6.6535 -6.6535 -6.2793 -6.2793 -4.9204 -4.9204 -3.7152 -3.7152 -2.8953 -2.8953 -1.7613 -1.7613 2.4118 2.4118 2.4343 2.4343 2.8719 2.8719 3.1731 3.1731 4.2159 4.2159 4.6218 4.6218 4.6471 4.6471 5.5152 5.5152 5.8998 5.8998 5.9891 5.9891 6.1183 6.1183 7.2076 7.2076 7.3166 7.3166 7.4691 7.4691 8.6418 8.6418 8.7316 8.7316 8.9557 8.9557 9.8219 9.8219 10.8206 10.8206 10.9604 10.9604 11.0357 11.0357 11.6113 11.6113 k = 0.0341-0.0000 0.2021 ( 6168 PWs) bands (ev): -53.8907 -53.8907 -53.8888 -53.8888 -28.2053 -28.2053 -28.1921 -28.1921 -20.5512 -20.5512 -20.4912 -20.4912 -20.4543 -20.4543 -20.4416 -20.4416 -6.6505 -6.6505 -6.2755 -6.2755 -4.9195 -4.9195 -3.7146 -3.7146 -2.8928 -2.8928 -1.7610 -1.7610 2.4146 2.4146 2.4416 2.4416 2.8703 2.8703 3.1764 3.1764 4.2201 4.2201 4.6128 4.6128 4.6374 4.6374 5.5045 5.5045 5.8632 5.8632 5.9998 5.9998 6.1240 6.1240 7.1849 7.1849 7.3046 7.3046 7.4514 7.4514 8.6541 8.6541 8.7262 8.7262 8.9918 8.9918 9.8246 9.8246 10.8138 10.8138 10.9656 10.9656 11.0211 11.0211 11.6088 11.6088 k = 0.0455-0.0000 0.2021 ( 6170 PWs) bands (ev): -53.8907 -53.8907 -53.8887 -53.8887 -28.2054 -28.2054 -28.1923 -28.1923 -20.5511 -20.5511 -20.4914 -20.4914 -20.4551 -20.4551 -20.4425 -20.4425 -6.6464 -6.6464 -6.2701 -6.2701 -4.9183 -4.9183 -3.7138 -3.7138 -2.8892 -2.8892 -1.7605 -1.7605 2.4186 2.4186 2.4518 2.4518 2.8680 2.8680 3.1810 3.1810 4.2260 4.2260 4.6002 4.6002 4.6244 4.6244 5.4894 5.4894 5.8168 5.8168 6.0118 6.0118 6.1307 6.1307 7.1513 7.1513 7.2902 7.2902 7.4295 7.4295 8.6478 8.6478 8.7464 8.7464 9.0332 9.0332 9.8288 9.8288 10.8045 10.8045 10.9633 10.9633 11.0121 11.0121 11.6051 11.6051 k = 0.0568-0.0000 0.2021 ( 6178 PWs) bands (ev): -53.8906 -53.8906 -53.8887 -53.8887 -28.2056 -28.2056 -28.1926 -28.1926 -20.5511 -20.5511 -20.4918 -20.4918 -20.4561 -20.4561 -20.4435 -20.4435 -6.6412 -6.6412 -6.2633 -6.2633 -4.9166 -4.9166 -3.7128 -3.7128 -2.8847 -2.8847 -1.7600 -1.7600 2.4237 2.4237 2.4647 2.4647 2.8652 2.8652 3.1869 3.1869 4.2334 4.2334 4.5839 4.5839 4.6085 4.6085 5.4700 5.4700 5.7618 5.7618 6.0250 6.0250 6.1380 6.1380 7.1071 7.1071 7.2743 7.2743 7.4045 7.4045 8.6291 8.6291 8.7844 8.7844 9.0772 9.0772 9.8352 9.8352 10.7927 10.7927 10.9449 10.9449 11.0190 11.0190 11.6003 11.6003 k = 0.0682-0.0000 0.2021 ( 6180 PWs) bands (ev): -53.8906 -53.8906 -53.8887 -53.8887 -28.2059 -28.2059 -28.1929 -28.1929 -20.5511 -20.5511 -20.4922 -20.4922 -20.4574 -20.4574 -20.4447 -20.4447 -6.6347 -6.6347 -6.2550 -6.2550 -4.9146 -4.9146 -3.7116 -3.7116 -2.8791 -2.8791 -1.7594 -1.7594 2.4299 2.4299 2.4802 2.4802 2.8620 2.8620 3.1940 3.1940 4.2424 4.2424 4.5641 4.5641 4.5901 4.5901 5.4463 5.4463 5.6994 5.6994 6.0387 6.0387 6.1458 6.1458 7.0540 7.0540 7.2567 7.2567 7.3773 7.3773 8.6073 8.6073 8.8286 8.8286 9.1223 9.1223 9.8445 9.8445 10.7786 10.7786 10.9178 10.9178 11.0358 11.0358 11.5945 11.5945 k = 0.0795-0.0000 0.2021 ( 6180 PWs) bands (ev): -53.8905 -53.8905 -53.8886 -53.8886 -28.2062 -28.2062 -28.1933 -28.1933 -20.5511 -20.5511 -20.4928 -20.4928 -20.4587 -20.4587 -20.4461 -20.4461 -6.6272 -6.6272 -6.2454 -6.2454 -4.9121 -4.9121 -3.7103 -3.7103 -2.8724 -2.8724 -1.7588 -1.7588 2.4372 2.4372 2.4982 2.4982 2.8586 2.8586 3.2023 3.2023 4.2528 4.2528 4.5411 4.5411 4.5694 4.5694 5.4181 5.4181 5.6314 5.6314 6.0522 6.0522 6.1542 6.1542 6.9939 6.9939 7.2371 7.2371 7.3482 7.3482 8.5851 8.5851 8.8736 8.8736 9.1671 9.1671 9.8572 9.8572 10.7625 10.7625 10.8885 10.8885 11.0574 11.0574 11.5880 11.5880 k = 0.0909-0.0000 0.2021 ( 6188 PWs) bands (ev): -53.8904 -53.8904 -53.8885 -53.8885 -28.2065 -28.2065 -28.1937 -28.1937 -20.5511 -20.5511 -20.4935 -20.4935 -20.4603 -20.4603 -20.4476 -20.4476 -6.6186 -6.6186 -6.2345 -6.2345 -4.9091 -4.9091 -3.7090 -3.7090 -2.8647 -2.8647 -1.7582 -1.7582 2.4456 2.4456 2.5183 2.5183 2.8552 2.8552 3.2118 3.2118 4.2644 4.2644 4.5152 4.5152 4.5466 4.5466 5.3851 5.3851 5.5594 5.5594 6.0648 6.0648 6.1632 6.1632 6.9290 6.9290 7.2154 7.2154 7.3172 7.3172 8.5630 8.5630 8.9163 8.9163 9.2104 9.2104 9.8743 9.8743 10.7449 10.7449 10.8599 10.8599 11.0821 11.0821 11.5811 11.5811 k = 0.1023-0.0000 0.2021 ( 6194 PWs) bands (ev): -53.8903 -53.8903 -53.8885 -53.8885 -28.2069 -28.2069 -28.1942 -28.1942 -20.5512 -20.5512 -20.4944 -20.4944 -20.4620 -20.4620 -20.4491 -20.4491 -6.6089 -6.6089 -6.2224 -6.2224 -4.9057 -4.9057 -3.7077 -3.7077 -2.8560 -2.8560 -1.7575 -1.7575 2.4550 2.4550 2.5404 2.5404 2.8522 2.8522 3.2224 3.2224 4.2772 4.2772 4.4868 4.4868 4.5218 4.5218 5.3461 5.3461 5.4864 5.4864 6.0756 6.0756 6.1726 6.1726 6.8605 6.8605 7.1915 7.1915 7.2845 7.2845 8.5410 8.5410 8.9545 8.9545 9.2513 9.2513 9.8960 9.8960 10.7264 10.7264 10.8336 10.8336 11.1093 11.1093 11.5742 11.5742 k = 0.1136-0.0000 0.2021 ( 6194 PWs) bands (ev): -53.8903 -53.8903 -53.8884 -53.8884 -28.2073 -28.2073 -28.1947 -28.1947 -20.5513 -20.5513 -20.4955 -20.4955 -20.4639 -20.4639 -20.4506 -20.4506 -6.5981 -6.5981 -6.2092 -6.2092 -4.9017 -4.9017 -3.7064 -3.7064 -2.8462 -2.8462 -1.7569 -1.7569 2.4654 2.4654 2.5639 2.5639 2.8499 2.8499 3.2341 3.2341 4.2908 4.2908 4.4561 4.4561 4.4951 4.4951 5.2986 5.2986 5.4165 5.4165 6.0842 6.0842 6.1821 6.1821 6.7898 6.7898 7.1656 7.1656 7.2501 7.2501 8.5187 8.5187 8.9869 8.9869 9.2890 9.2890 9.9227 9.9227 10.7077 10.7077 10.8111 10.8111 11.1384 11.1384 11.5673 11.5673 k = 0.1250-0.0000 0.2021 ( 6194 PWs) bands (ev): -53.8901 -53.8901 -53.8883 -53.8883 -28.2077 -28.2077 -28.1953 -28.1953 -20.5515 -20.5515 -20.4968 -20.4968 -20.4658 -20.4658 -20.4522 -20.4522 -6.5864 -6.5864 -6.1949 -6.1949 -4.8970 -4.8970 -3.7052 -3.7052 -2.8354 -2.8354 -1.7565 -1.7565 2.4767 2.4767 2.5881 2.5881 2.8492 2.8492 3.2467 3.2467 4.3047 4.3047 4.4237 4.4237 4.4666 4.4666 5.2392 5.2392 5.3547 5.3547 6.0903 6.0903 6.1910 6.1910 6.7178 6.7178 7.1380 7.1380 7.2141 7.2141 8.4959 8.4959 9.0125 9.0125 9.3230 9.3230 9.9542 9.9542 10.6892 10.6892 10.7937 10.7937 11.1691 11.1691 11.5607 11.5607 k = 0.1364-0.0000 0.2021 ( 6190 PWs) bands (ev): -53.8900 -53.8900 -53.8882 -53.8882 -28.2082 -28.2082 -28.1959 -28.1959 -20.5518 -20.5518 -20.4983 -20.4983 -20.4678 -20.4678 -20.4536 -20.4536 -6.5737 -6.5737 -6.1798 -6.1798 -4.8918 -4.8918 -3.7043 -3.7043 -2.8236 -2.8236 -1.7561 -1.7561 2.4889 2.4889 2.6120 2.6120 2.8509 2.8509 3.2602 3.2602 4.3172 4.3172 4.3908 4.3908 4.4367 4.4367 5.1683 5.1683 5.3027 5.3027 6.0937 6.0937 6.1984 6.1984 6.6452 6.6452 7.1093 7.1093 7.1766 7.1766 8.4718 8.4718 9.0313 9.0313 9.3530 9.3530 9.9899 9.9899 10.6708 10.6708 10.7826 10.7826 11.2010 11.2010 11.5545 11.5545 k = 0.1477-0.0000 0.2021 ( 6190 PWs) bands (ev): -53.8899 -53.8899 -53.8881 -53.8881 -28.2087 -28.2087 -28.1965 -28.1965 -20.5523 -20.5523 -20.5000 -20.5000 -20.4699 -20.4699 -20.4550 -20.4550 -6.5600 -6.5600 -6.1638 -6.1638 -4.8858 -4.8858 -3.7036 -3.7036 -2.8107 -2.8107 -1.7560 -1.7560 2.5018 2.5018 2.6343 2.6343 2.8565 2.8565 3.2745 3.2745 4.3202 4.3202 4.3649 4.3649 4.4060 4.4060 5.0906 5.0906 5.2575 5.2575 6.0945 6.0945 6.2032 6.2032 6.5727 6.5727 7.0800 7.0800 7.1376 7.1376 8.4462 8.4462 9.0433 9.0433 9.3792 9.3792 10.0290 10.0290 10.6525 10.6525 10.7790 10.7790 11.2337 11.2337 11.5487 11.5487 k = 0.1591-0.0000 0.2021 ( 6192 PWs) bands (ev): -53.8898 -53.8898 -53.8880 -53.8880 -28.2092 -28.2092 -28.1972 -28.1972 -20.5529 -20.5529 -20.5021 -20.5021 -20.4720 -20.4720 -20.4562 -20.4562 -6.5455 -6.5455 -6.1472 -6.1472 -4.8790 -4.8790 -3.7033 -3.7033 -2.7968 -2.7968 -1.7561 -1.7561 2.5155 2.5155 2.6533 2.6533 2.8676 2.8676 3.2894 3.2894 4.2958 4.2958 4.3562 4.3562 4.3815 4.3815 5.0106 5.0106 5.2164 5.2164 6.0926 6.0926 6.2045 6.2045 6.5009 6.5009 7.0507 7.0507 7.0971 7.0971 8.4185 8.4185 9.0494 9.0494 9.4022 9.4022 10.0705 10.0705 10.6343 10.6343 10.7833 10.7833 11.2670 11.2670 11.5434 11.5434 k = 0.1705-0.0000 0.2021 ( 6188 PWs) bands (ev): -53.8896 -53.8896 -53.8879 -53.8879 -28.2097 -28.2097 -28.1979 -28.1979 -20.5537 -20.5537 -20.5044 -20.5044 -20.4740 -20.4740 -20.4572 -20.4572 -6.5301 -6.5301 -6.1301 -6.1301 -4.8714 -4.8714 -3.7034 -3.7034 -2.7818 -2.7818 -1.7565 -1.7565 2.5297 2.5297 2.6677 2.6677 2.8854 2.8854 3.3048 3.3048 4.2570 4.2570 4.3289 4.3289 4.3860 4.3860 4.9315 4.9315 5.1781 5.1781 6.0878 6.0878 6.2011 6.2011 6.4305 6.4305 7.0219 7.0219 7.0554 7.0554 8.3883 8.3883 9.0500 9.0500 9.4227 9.4227 10.1134 10.1134 10.6165 10.6165 10.7951 10.7951 11.3006 11.3006 11.5389 11.5389 k = 0.1818-0.0000 0.2021 ( 6182 PWs) bands (ev): -53.8895 -53.8895 -53.8878 -53.8878 -28.2102 -28.2102 -28.1986 -28.1986 -20.5546 -20.5546 -20.5070 -20.5070 -20.4759 -20.4759 -20.4581 -20.4581 -6.5139 -6.5139 -6.1126 -6.1126 -4.8628 -4.8628 -3.7040 -3.7040 -2.7658 -2.7658 -1.7573 -1.7573 2.5446 2.5446 2.6768 2.6768 2.9105 2.9105 3.3204 3.3204 4.2138 4.2138 4.2915 4.2915 4.4004 4.4004 4.8555 4.8555 5.1424 5.1424 6.0801 6.0801 6.1920 6.1920 6.3626 6.3626 6.9932 6.9932 7.0136 7.0136 8.3556 8.3556 9.0459 9.0459 9.4420 9.4420 10.1567 10.1567 10.5995 10.5995 10.8138 10.8138 11.3343 11.3343 11.5353 11.5353 k = 0.1932-0.0000 0.2021 ( 6178 PWs) bands (ev): -53.8893 -53.8893 -53.8877 -53.8877 -28.2108 -28.2108 -28.1994 -28.1994 -20.5558 -20.5558 -20.5099 -20.5099 -20.4777 -20.4777 -20.4589 -20.4589 -6.4970 -6.4970 -6.0949 -6.0949 -4.8533 -4.8533 -3.7052 -3.7052 -2.7489 -2.7489 -1.7584 -1.7584 2.5598 2.5598 2.6813 2.6813 2.9422 2.9422 3.3361 3.3361 4.1683 4.1683 4.2502 4.2502 4.4161 4.4161 4.7846 4.7846 5.1090 5.1090 6.0692 6.0692 6.1754 6.1754 6.2988 6.2988 6.9594 6.9594 6.9773 6.9773 8.3201 8.3201 9.0376 9.0376 9.4610 9.4610 10.1996 10.1996 10.5838 10.5838 10.8381 10.8381 11.3678 11.3678 11.5329 11.5329 k = 0.2045-0.0000 0.2021 ( 6178 PWs) bands (ev): -53.8892 -53.8892 -53.8876 -53.8876 -28.2113 -28.2113 -28.2002 -28.2002 -20.5572 -20.5572 -20.5131 -20.5131 -20.4792 -20.4792 -20.4595 -20.4595 -6.4793 -6.4793 -6.0771 -6.0771 -4.8426 -4.8426 -3.7070 -3.7070 -2.7310 -2.7310 -1.7600 -1.7600 2.5754 2.5754 2.6821 2.6821 2.9794 2.9794 3.3514 3.3514 4.1212 4.1212 4.2053 4.2053 4.4317 4.4317 4.7201 4.7201 5.0782 5.0782 6.0546 6.0546 6.1491 6.1491 6.2416 6.2416 6.9158 6.9158 6.9516 6.9516 8.2823 8.2823 9.0255 9.0255 9.4808 9.4808 10.2417 10.2417 10.5696 10.5696 10.8669 10.8669 11.4009 11.4009 11.5320 11.5320 k = 0.2159-0.0000 0.2021 ( 6180 PWs) bands (ev): -53.8890 -53.8890 -53.8875 -53.8875 -28.2119 -28.2119 -28.2011 -28.2011 -20.5588 -20.5588 -20.5166 -20.5166 -20.4806 -20.4806 -20.4599 -20.4599 -6.4610 -6.4610 -6.0595 -6.0595 -4.8308 -4.8308 -3.7095 -3.7095 -2.7121 -2.7121 -1.7622 -1.7622 2.5911 2.5911 2.6804 2.6804 3.0207 3.0207 3.3659 3.3659 4.0730 4.0730 4.1572 4.1572 4.4464 4.4464 4.6631 4.6631 5.0501 5.0501 6.0357 6.0357 6.1116 6.1116 6.1937 6.1937 6.8686 6.8686 6.9304 6.9304 8.2424 8.2424 9.0100 9.0100 9.5024 9.5024 10.2829 10.2829 10.5572 10.5572 10.8991 10.8991 11.4333 11.4333 11.5329 11.5329 k = 0.2273-0.0000 0.2021 ( 6180 PWs) bands (ev): -53.8889 -53.8889 -53.8874 -53.8874 -28.2125 -28.2125 -28.2019 -28.2019 -20.5607 -20.5607 -20.5204 -20.5204 -20.4816 -20.4816 -20.4603 -20.4603 -6.4422 -6.4422 -6.0422 -6.0422 -4.8178 -4.8178 -3.7129 -3.7129 -2.6923 -2.6923 -1.7649 -1.7649 2.6068 2.6068 2.6770 2.6770 3.0650 3.0650 3.3791 3.3791 4.0242 4.0242 4.1071 4.1071 4.4596 4.4596 4.6143 4.6143 5.0247 5.0247 6.0105 6.0105 6.0672 6.0672 6.1532 6.1532 6.8198 6.8198 6.9117 6.9117 8.2011 8.2011 8.9913 8.9913 9.5264 9.5264 10.3229 10.3229 10.5467 10.5467 10.9337 10.9337 11.4646 11.4646 11.5362 11.5362 k = 0.2386-0.0000 0.2021 ( 6176 PWs) bands (ev): -53.8887 -53.8887 -53.8873 -53.8873 -28.2131 -28.2131 -28.2028 -28.2028 -20.5627 -20.5627 -20.5243 -20.5243 -20.4824 -20.4824 -20.4606 -20.4606 -6.4228 -6.4228 -6.0253 -6.0253 -4.8034 -4.8034 -3.7171 -3.7171 -2.6717 -2.6717 -1.7683 -1.7683 2.6224 2.6224 2.6726 2.6726 3.1112 3.1112 3.3902 3.3902 3.9745 3.9745 4.0572 4.0572 4.4705 4.4705 4.5738 4.5738 5.0021 5.0021 5.9759 5.9759 6.0247 6.0247 6.1153 6.1153 6.7699 6.7699 6.8947 6.8947 8.1592 8.1592 8.9695 8.9695 9.5534 9.5534 10.3617 10.3617 10.5387 10.5387 10.9696 10.9696 11.4941 11.4941 11.5423 11.5423 k = 0.2500-0.0000 0.2021 ( 6174 PWs) bands (ev): -53.8885 -53.8885 -53.8871 -53.8871 -28.2136 -28.2136 -28.2037 -28.2037 -20.5649 -20.5649 -20.5284 -20.5284 -20.4830 -20.4830 -20.4608 -20.4608 -6.4029 -6.4029 -6.0090 -6.0090 -4.7877 -4.7877 -3.7223 -3.7223 -2.6502 -2.6502 -1.7723 -1.7723 2.6376 2.6376 2.6677 2.6677 3.1583 3.1583 3.3984 3.3984 3.9235 3.9235 4.0108 4.0108 4.4779 4.4779 4.5420 4.5420 4.9824 4.9824 5.9317 5.9317 5.9875 5.9875 6.0775 6.0775 6.7192 6.7192 6.8784 6.8784 8.1175 8.1175 8.9447 8.9447 9.5836 9.5836 10.3989 10.3989 10.5340 10.5340 11.0060 11.0060 11.5197 11.5197 11.5530 11.5530 k = 0.2614-0.0000 0.2021 ( 6170 PWs) bands (ev): -53.8884 -53.8884 -53.8870 -53.8870 -28.2142 -28.2142 -28.2045 -28.2045 -20.5673 -20.5673 -20.5326 -20.5326 -20.4833 -20.4833 -20.4609 -20.4609 -6.3827 -6.3827 -5.9936 -5.9936 -4.7705 -4.7705 -3.7285 -3.7285 -2.6280 -2.6280 -1.7771 -1.7771 2.6518 2.6518 2.6630 2.6630 3.2051 3.2051 3.4030 3.4030 3.8707 3.8707 3.9715 3.9715 4.4788 4.4788 4.5205 4.5205 4.9658 4.9658 5.8834 5.8834 5.9516 5.9516 6.0394 6.0394 6.6680 6.6680 6.8622 6.8622 8.0769 8.0769 8.9170 8.9170 9.6171 9.6171 10.4323 10.4323 10.5352 10.5352 11.0422 11.0422 11.5384 11.5384 11.5712 11.5712 k = 0.2727-0.0000 0.2021 ( 6168 PWs) bands (ev): -53.8882 -53.8882 -53.8869 -53.8869 -28.2147 -28.2147 -28.2054 -28.2054 -20.5699 -20.5699 -20.5368 -20.5368 -20.4833 -20.4833 -20.4610 -20.4610 -6.3621 -6.3621 -5.9790 -5.9790 -4.7518 -4.7518 -3.7357 -3.7357 -2.6050 -2.6050 -1.7827 -1.7827 2.6558 2.6558 2.6675 2.6675 3.2495 3.2495 3.4036 3.4036 3.8173 3.8173 3.9416 3.9416 4.4706 4.4706 4.5110 4.5110 4.9524 4.9524 5.8350 5.8350 5.9134 5.9134 6.0018 6.0018 6.6166 6.6166 6.8449 6.8449 8.0385 8.0385 8.8866 8.8866 9.6541 9.6541 10.4568 10.4568 10.5482 10.5482 11.0774 11.0774 11.5516 11.5516 11.5948 11.5948 k = 0.2841-0.0000 0.2021 ( 6170 PWs) bands (ev): -53.8881 -53.8881 -53.8868 -53.8868 -28.2153 -28.2153 -28.2063 -28.2063 -20.5725 -20.5725 -20.5412 -20.5412 -20.4832 -20.4832 -20.4611 -20.4611 -6.3412 -6.3412 -5.9656 -5.9656 -4.7316 -4.7316 -3.7441 -3.7441 -2.5814 -2.5814 -1.7891 -1.7891 2.6509 2.6509 2.6799 2.6799 3.2884 3.2884 3.4011 3.4011 3.7661 3.7661 3.9220 3.9220 4.4584 4.4584 4.5072 4.5072 4.9423 4.9423 5.7876 5.7876 5.8722 5.8722 5.9651 5.9651 6.5653 6.5653 6.8258 6.8258 8.0031 8.0031 8.8535 8.8535 9.6944 9.6944 10.4689 10.4689 10.5771 10.5771 11.1112 11.1112 11.5630 11.5630 11.6198 11.6198 k = 0.2955-0.0000 0.2021 ( 6178 PWs) bands (ev): -53.8879 -53.8879 -53.8867 -53.8867 -28.2158 -28.2158 -28.2072 -28.2072 -20.5752 -20.5752 -20.5456 -20.5456 -20.4829 -20.4829 -20.4611 -20.4611 -6.3201 -6.3201 -5.9533 -5.9533 -4.7099 -4.7099 -3.7536 -3.7536 -2.5572 -2.5572 -1.7964 -1.7964 2.6456 2.6456 2.6913 2.6913 3.3151 3.3151 3.3991 3.3991 3.7212 3.7212 3.9123 3.9123 4.4474 4.4474 4.5033 4.5033 4.9357 4.9357 5.7409 5.7409 5.8288 5.8288 5.9293 5.9293 6.5145 6.5145 6.8041 6.8041 7.9716 7.9716 8.8180 8.8180 9.7378 9.7378 10.4729 10.4729 10.6182 10.6182 11.1431 11.1431 11.5739 11.5739 11.6445 11.6445 k = 0.3068-0.0000 0.2021 ( 6176 PWs) bands (ev): -53.8877 -53.8877 -53.8866 -53.8866 -28.2163 -28.2163 -28.2081 -28.2081 -20.5779 -20.5779 -20.5500 -20.5500 -20.4825 -20.4825 -20.4612 -20.4612 -6.2989 -6.2989 -5.9423 -5.9423 -4.6866 -4.6866 -3.7644 -3.7644 -2.5324 -2.5324 -1.8046 -1.8046 2.6403 2.6403 2.7010 2.7010 3.3218 3.3218 3.4014 3.4014 3.6883 3.6883 3.9119 3.9119 4.4391 4.4391 4.4975 4.4975 4.9326 4.9326 5.6939 5.6939 5.7852 5.7852 5.8945 5.8945 6.4645 6.4645 6.7792 6.7792 7.9446 7.9446 8.7803 8.7803 9.7842 9.7842 10.4743 10.4743 10.6665 10.6665 11.1728 11.1728 11.5844 11.5844 11.6681 11.6681 k = 0.3182-0.0000 0.2021 ( 6176 PWs) bands (ev): -53.8876 -53.8876 -53.8865 -53.8865 -28.2168 -28.2168 -28.2090 -28.2090 -20.5805 -20.5805 -20.5543 -20.5543 -20.4819 -20.4819 -20.4612 -20.4612 -6.2776 -6.2776 -5.9328 -5.9328 -4.6619 -4.6619 -3.7764 -3.7764 -2.5071 -2.5071 -1.8137 -1.8137 2.6351 2.6351 2.7087 2.7087 3.3113 3.3113 3.4006 3.4006 3.6739 3.6739 3.9193 3.9193 4.4333 4.4333 4.4900 4.4900 4.9329 4.9329 5.6451 5.6451 5.7436 5.7436 5.8603 5.8603 6.4158 6.4158 6.7507 6.7507 7.9226 7.9226 8.7408 8.7408 9.8332 9.8332 10.4755 10.4755 10.7200 10.7200 11.1999 11.1999 11.5943 11.5943 11.6905 11.6905 k = 0.3295-0.0000 0.2021 ( 6176 PWs) bands (ev): -53.8874 -53.8874 -53.8864 -53.8864 -28.2173 -28.2173 -28.2098 -28.2098 -20.5832 -20.5832 -20.5585 -20.5585 -20.4811 -20.4811 -20.4613 -20.4613 -6.2563 -6.2563 -5.9246 -5.9246 -4.6357 -4.6357 -3.7897 -3.7897 -2.4814 -2.4814 -1.8238 -1.8238 2.6298 2.6298 2.7140 2.7140 3.2927 3.2927 3.3871 3.3871 3.6803 3.6803 3.9330 3.9330 4.4290 4.4290 4.4826 4.4826 4.9363 4.9363 5.5933 5.5933 5.7056 5.7056 5.8267 5.8267 6.3687 6.3687 6.7185 6.7185 7.9057 7.9057 8.6996 8.6996 9.8848 9.8848 10.4777 10.4777 10.7776 10.7776 11.2246 11.2246 11.6036 11.6036 11.7112 11.7112 k = 0.3409-0.0000 0.2021 ( 6162 PWs) bands (ev): -53.8873 -53.8873 -53.8863 -53.8863 -28.2176 -28.2176 -28.2106 -28.2106 -20.5856 -20.5856 -20.5627 -20.5627 -20.4803 -20.4803 -20.4613 -20.4613 -6.2350 -6.2350 -5.9180 -5.9180 -4.6081 -4.6081 -3.8044 -3.8044 -2.4553 -2.4553 -1.8349 -1.8349 2.6245 2.6245 2.7167 2.7167 3.2712 3.2712 3.3622 3.3622 3.7025 3.7025 3.9513 3.9513 4.4238 4.4238 4.4784 4.4784 4.9424 4.9424 5.5384 5.5384 5.6715 5.6715 5.7937 5.7937 6.3236 6.3236 6.6827 6.6827 7.8940 7.8940 8.6571 8.6571 9.9383 9.9383 10.4815 10.4815 10.8387 10.8387 11.2468 11.2468 11.6119 11.6119 11.7301 11.7301 k = 0.3523-0.0000 0.2021 ( 6158 PWs) bands (ev): -53.8871 -53.8871 -53.8862 -53.8862 -28.2180 -28.2180 -28.2114 -28.2114 -20.5880 -20.5880 -20.5667 -20.5667 -20.4794 -20.4794 -20.4614 -20.4614 -6.2139 -6.2139 -5.9130 -5.9130 -4.5793 -4.5793 -3.8204 -3.8204 -2.4290 -2.4290 -1.8470 -1.8470 2.6190 2.6190 2.7164 2.7164 3.2496 3.2496 3.3320 3.3320 3.7332 3.7332 3.9727 3.9727 4.4155 4.4155 4.4808 4.4808 4.9506 4.9506 5.4807 5.4807 5.6410 5.6410 5.7615 5.7615 6.2809 6.2809 6.6436 6.6436 7.8874 7.8874 8.6138 8.6138 9.9936 9.9936 10.4871 10.4871 10.9029 10.9029 11.2669 11.2669 11.6193 11.6193 11.7466 11.7466 k = 0.3636-0.0000 0.2021 ( 6156 PWs) bands (ev): -53.8870 -53.8870 -53.8862 -53.8862 -28.2183 -28.2183 -28.2122 -28.2122 -20.5903 -20.5903 -20.5706 -20.5706 -20.4784 -20.4784 -20.4615 -20.4615 -6.1929 -6.1929 -5.9095 -5.9095 -4.5492 -4.5492 -3.8378 -3.8378 -2.4024 -2.4024 -1.8601 -1.8601 2.6134 2.6134 2.7131 2.7131 3.2291 3.2291 3.3009 3.3009 3.7670 3.7670 3.9957 3.9957 4.4047 4.4047 4.4908 4.4908 4.9605 4.9605 5.4213 5.4213 5.6133 5.6133 5.7301 5.7301 6.2411 6.2411 6.6017 6.6017 7.8855 7.8855 8.5698 8.5698 10.0502 10.0502 10.4947 10.4947 10.9695 10.9695 11.2853 11.2853 11.6258 11.6258 11.7605 11.7605 k = 0.3750-0.0000 0.2021 ( 6156 PWs) bands (ev): -53.8868 -53.8868 -53.8861 -53.8861 -28.2186 -28.2186 -28.2130 -28.2130 -20.5925 -20.5925 -20.5744 -20.5744 -20.4774 -20.4774 -20.4617 -20.4617 -6.1722 -6.1722 -5.9075 -5.9075 -4.5181 -4.5181 -3.8566 -3.8566 -2.3757 -2.3757 -1.8742 -1.8742 2.6076 2.6076 2.7069 2.7069 3.2106 3.2106 3.2717 3.2717 3.8011 3.8011 4.0187 4.0187 4.3938 4.3938 4.5075 4.5075 4.9712 4.9712 5.3607 5.3607 5.5878 5.5878 5.6999 5.6999 6.2045 6.2045 6.5576 6.5576 7.8878 7.8878 8.5257 8.5257 10.1074 10.1074 10.5042 10.5042 11.0375 11.0375 11.3023 11.3023 11.6316 11.6316 11.7712 11.7712 k = 0.3864-0.0000 0.2021 ( 6158 PWs) bands (ev): -53.8867 -53.8867 -53.8860 -53.8860 -28.2189 -28.2189 -28.2137 -28.2137 -20.5944 -20.5944 -20.5779 -20.5779 -20.4765 -20.4765 -20.4619 -20.4619 -6.1519 -6.1519 -5.9071 -5.9071 -4.4861 -4.4861 -3.8768 -3.8768 -2.3489 -2.3489 -1.8893 -1.8893 2.6018 2.6018 2.6980 2.6980 3.1942 3.1942 3.2457 3.2457 3.8337 3.8337 4.0400 4.0400 4.3855 4.3855 4.5298 4.5298 4.9821 4.9821 5.2996 5.2996 5.5641 5.5641 5.6708 5.6708 6.1715 6.1715 6.5120 6.5120 7.8941 7.8941 8.4817 8.4817 10.1649 10.1649 10.5154 10.5154 11.1056 11.1056 11.3188 11.3188 11.6373 11.6373 11.7789 11.7789 k = 0.3977-0.0000 0.2021 ( 6172 PWs) bands (ev): -53.8866 -53.8866 -53.8860 -53.8860 -28.2192 -28.2192 -28.2145 -28.2145 -20.5962 -20.5962 -20.5813 -20.5813 -20.4755 -20.4755 -20.4622 -20.4622 -6.1319 -6.1319 -5.9082 -5.9082 -4.4533 -4.4533 -3.8984 -3.8984 -2.3221 -2.3221 -1.9055 -1.9055 2.5959 2.5959 2.6869 2.6869 3.1800 3.1800 3.2237 3.2237 3.8638 3.8638 4.0578 4.0578 4.3822 4.3822 4.5569 4.5569 4.9922 4.9922 5.2387 5.2387 5.5421 5.5421 5.6431 5.6431 6.1426 6.1426 6.4655 6.4655 7.9038 7.9038 8.4381 8.4381 10.2218 10.2218 10.5279 10.5279 11.1718 11.1718 11.3354 11.3354 11.6438 11.6438 11.7841 11.7841 k = 0.4091-0.0000 0.2021 ( 6162 PWs) bands (ev): -53.8865 -53.8865 -53.8859 -53.8859 -28.2193 -28.2193 -28.2151 -28.2151 -20.5976 -20.5976 -20.5844 -20.5844 -20.4744 -20.4744 -20.4625 -20.4625 -6.1123 -6.1123 -5.9109 -5.9109 -4.4198 -4.4198 -3.9214 -3.9214 -2.2953 -2.2953 -1.9225 -1.9225 2.5902 2.5902 2.6742 2.6742 3.1678 3.1678 3.2057 3.2057 3.8911 3.8911 4.0706 4.0706 4.3861 4.3861 4.5881 4.5881 5.0004 5.0004 5.1788 5.1788 5.5218 5.5218 5.6169 5.6169 6.1181 6.1181 6.4189 6.4189 7.9166 7.9166 8.3952 8.3952 10.2775 10.2775 10.5413 10.5413 11.2330 11.2330 11.3531 11.3531 11.6525 11.6525 11.7882 11.7882 k = 0.4205-0.0000 0.2021 ( 6166 PWs) bands (ev): -53.8864 -53.8864 -53.8859 -53.8859 -28.2195 -28.2195 -28.2157 -28.2157 -20.5989 -20.5989 -20.5873 -20.5873 -20.4734 -20.4734 -20.4629 -20.4629 -6.0933 -6.0933 -5.9149 -5.9149 -4.3859 -4.3859 -3.9457 -3.9457 -2.2686 -2.2686 -1.9406 -1.9406 2.5849 2.5849 2.6605 2.6605 3.1576 3.1576 3.1915 3.1915 3.9154 3.9154 4.0775 4.0775 4.3983 4.3983 4.6220 4.6220 5.0049 5.0049 5.1212 5.1212 5.5036 5.5036 5.5921 5.5921 6.0985 6.0985 6.3727 6.3727 7.9321 7.9321 8.3533 8.3533 10.3311 10.3311 10.5550 10.5550 11.2850 11.2850 11.3731 11.3731 11.6650 11.6650 11.7939 11.7939 k = 0.4318-0.0000 0.2021 ( 6170 PWs) bands (ev): -53.8863 -53.8863 -53.8859 -53.8859 -28.2195 -28.2195 -28.2164 -28.2164 -20.5999 -20.5999 -20.5900 -20.5900 -20.4724 -20.4724 -20.4633 -20.4633 -6.0748 -6.0748 -5.9204 -5.9204 -4.3517 -4.3517 -3.9713 -3.9713 -2.2421 -2.2421 -1.9595 -1.9595 2.5803 2.5803 2.6465 2.6465 3.1495 3.1495 3.1802 3.1802 3.9368 3.9368 4.0786 4.0786 4.4191 4.4191 4.6572 4.6572 5.0018 5.0018 5.0697 5.0697 5.4880 5.4880 5.5690 5.5690 6.0841 6.0841 6.3277 6.3277 7.9501 7.9501 8.3126 8.3126 10.3817 10.3817 10.5681 10.5681 11.3243 11.3243 11.3951 11.3951 11.6821 11.6821 11.8055 11.8055 k = 0.4432-0.0000 0.2021 ( 6168 PWs) bands (ev): -53.8862 -53.8862 -53.8858 -53.8858 -28.2195 -28.2195 -28.2169 -28.2169 -20.6007 -20.6007 -20.5924 -20.5924 -20.4714 -20.4714 -20.4638 -20.4638 -6.0570 -6.0570 -5.9272 -5.9272 -4.3174 -4.3174 -3.9981 -3.9981 -2.2158 -2.2158 -1.9793 -1.9793 2.5766 2.5766 2.6327 2.6327 3.1437 3.1437 3.1712 3.1712 3.9557 3.9557 4.0751 4.0751 4.4475 4.4475 4.6914 4.6914 4.9805 4.9805 5.0356 5.0356 5.4755 5.4755 5.5476 5.5476 6.0751 6.0751 6.2845 6.2845 7.9703 7.9703 8.2732 8.2732 10.4285 10.4285 10.5798 10.5798 11.3520 11.3520 11.4155 11.4155 11.7022 11.7022 11.8285 11.8285 k = 0.4545-0.0000 0.2021 ( 6160 PWs) bands (ev): -53.8861 -53.8861 -53.8858 -53.8858 -28.2195 -28.2195 -28.2174 -28.2174 -20.6011 -20.6011 -20.5945 -20.5945 -20.4704 -20.4704 -20.4643 -20.4643 -6.0399 -6.0399 -5.9353 -5.9353 -4.2830 -4.2830 -4.0262 -4.0262 -2.1898 -2.1898 -2.0000 -2.0000 2.5743 2.5743 2.6196 2.6196 3.1401 3.1401 3.1637 3.1637 3.9725 3.9725 4.0682 4.0682 4.4821 4.4821 4.7205 4.7205 4.9433 4.9433 5.0193 5.0193 5.4667 5.4667 5.5280 5.5280 6.0719 6.0719 6.2437 6.2437 7.9925 7.9925 8.2353 8.2353 10.4706 10.4706 10.5889 10.5889 11.3726 11.3726 11.4294 11.4294 11.7228 11.7228 11.8665 11.8665 k = 0.4659-0.0000 0.2021 ( 6156 PWs) bands (ev): -53.8860 -53.8860 -53.8858 -53.8858 -28.2194 -28.2194 -28.2178 -28.2178 -20.6013 -20.6013 -20.5963 -20.5963 -20.4694 -20.4694 -20.4649 -20.4649 -6.0235 -6.0235 -5.9447 -5.9447 -4.2489 -4.2489 -4.0554 -4.0554 -2.1642 -2.1642 -2.0215 -2.0215 2.5734 2.5734 2.6077 2.6077 3.1385 3.1385 3.1574 3.1574 3.9875 3.9875 4.0591 4.0591 4.5216 4.5216 4.7362 4.7362 4.9130 4.9130 5.0047 5.0047 5.4620 5.4620 5.5103 5.5103 6.0746 6.0746 6.2061 6.2061 8.0167 8.0167 8.1990 8.1990 10.5072 10.5072 10.5945 10.5945 11.3892 11.3892 11.4359 11.4359 11.7441 11.7441 11.9160 11.9160 k = 0.4773-0.0000 0.2021 ( 6156 PWs) bands (ev): -53.8860 -53.8860 -53.8858 -53.8858 -28.2192 -28.2192 -28.2182 -28.2182 -20.6012 -20.6012 -20.5979 -20.5979 -20.4686 -20.4686 -20.4655 -20.4655 -6.0079 -6.0079 -5.9552 -5.9552 -4.2150 -4.2150 -4.0856 -4.0856 -2.1390 -2.1390 -2.0437 -2.0437 2.5743 2.5743 2.5973 2.5973 3.1386 3.1386 3.1519 3.1519 4.0012 4.0012 4.0488 4.0488 4.5644 4.5644 4.7275 4.7275 4.9052 4.9052 4.9868 4.9868 5.4614 5.4614 5.4949 5.4949 6.0831 6.0831 6.1720 6.1720 8.0427 8.0427 8.1643 8.1643 10.5378 10.5378 10.5953 10.5953 11.4032 11.4032 11.4362 11.4362 11.7684 11.7684 11.9153 11.9153 k = 0.4886-0.0000 0.2021 ( 6168 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2191 -28.2191 -28.2186 -28.2186 -20.6008 -20.6008 -20.5992 -20.5992 -20.4677 -20.4677 -20.4662 -20.4662 -5.9933 -5.9933 -5.9669 -5.9669 -4.1817 -4.1817 -4.1168 -4.1168 -2.1143 -2.1143 -2.0666 -2.0666 2.5771 2.5771 2.5886 2.5886 3.1403 3.1403 3.1471 3.1471 4.0140 4.0140 4.0377 4.0377 4.6093 4.6093 4.6963 4.6963 4.9187 4.9187 4.9652 4.9652 5.4648 5.4648 5.4819 5.4819 6.0974 6.0974 6.1423 6.1423 8.0705 8.0705 8.1313 8.1313 10.5620 10.5620 10.5905 10.5905 11.4151 11.4151 11.4321 11.4321 11.7979 11.7979 11.8729 11.8729 k = 0.5000-0.0000 0.2021 ( 6164 PWs) bands (ev): -53.8859 -53.8859 -53.8859 -53.8859 -28.2189 -28.2189 -28.2189 -28.2189 -20.6001 -20.6001 -20.6001 -20.6001 -20.4669 -20.4669 -20.4669 -20.4669 -5.9796 -5.9796 -5.9796 -5.9796 -4.1489 -4.1489 -4.1489 -4.1489 -2.0902 -2.0902 -2.0902 -2.0902 2.5819 2.5819 2.5819 2.5819 3.1432 3.1432 3.1432 3.1432 4.0261 4.0261 4.0261 4.0261 4.6544 4.6544 4.6544 4.6544 4.9413 4.9413 4.9413 4.9413 5.4718 5.4718 5.4718 5.4718 6.1172 6.1172 6.1172 6.1172 8.1000 8.1000 8.1000 8.1000 10.5796 10.5796 10.5796 10.5796 11.4248 11.4248 11.4248 11.4248 11.8329 11.8329 11.8329 11.8329 Writing output data file HfS3.save init_run : 0.31s CPU 0.48s WALL ( 1 calls) electrons : 291.83s CPU 295.47s 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 : 291.82s CPU 295.47s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.12s CPU 0.16s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.10s CPU 0.11s WALL ( 277 calls) cegterg : 268.78s CPU 271.56s WALL ( 396 calls) Called by sum_band: Called by *egterg: h_psi : 142.33s CPU 144.37s WALL ( 7066 calls) s_psi : 20.80s CPU 20.71s WALL ( 7066 calls) g_psi : 0.42s CPU 0.42s WALL ( 6393 calls) cdiaghg : 86.05s CPU 86.87s WALL ( 6670 calls) cegterg:over : 13.38s CPU 13.44s WALL ( 6393 calls) cegterg:upda : 12.59s CPU 12.74s WALL ( 6393 calls) cegterg:last : 6.58s CPU 6.57s WALL ( 1132 calls) cdiaghg:chol : 5.23s CPU 5.09s WALL ( 6670 calls) cdiaghg:inve : 3.46s CPU 3.62s WALL ( 6670 calls) cdiaghg:para : 6.51s CPU 6.48s WALL ( 13340 calls) Called by h_psi: h_psi:vloc : 109.98s CPU 111.62s WALL ( 7066 calls) h_psi:vnl : 31.98s CPU 32.32s WALL ( 7066 calls) add_vuspsi : 17.96s CPU 17.95s WALL ( 7066 calls) General routines calbec : 13.98s CPU 14.34s WALL ( 7066 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 103.79s CPU 105.40s WALL ( 985780 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.22s CPU 0.41s WALL ( 554 calls) Parallel routines fft_scatter : 34.48s CPU 35.26s WALL ( 985803 calls) PWSCF : 5m14.90s CPU 5m29.90s WALL This run was terminated on: 19: 4: 5 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=