Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:58:15 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) Check: negative/imaginary core charge= -0.000001 0.000000 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 3.3 secs Computing kpt #: 2 total cpu time spent up to now is 4.5 secs Computing kpt #: 3 total cpu time spent up to now is 5.8 secs Computing kpt #: 4 total cpu time spent up to now is 7.1 secs Computing kpt #: 5 total cpu time spent up to now is 8.4 secs Computing kpt #: 6 total cpu time spent up to now is 9.7 secs Computing kpt #: 7 total cpu time spent up to now is 11.1 secs Computing kpt #: 8 total cpu time spent up to now is 12.3 secs Computing kpt #: 9 total cpu time spent up to now is 13.6 secs Computing kpt #: 10 total cpu time spent up to now is 15.0 secs Computing kpt #: 11 total cpu time spent up to now is 16.3 secs Computing kpt #: 12 total cpu time spent up to now is 17.6 secs Computing kpt #: 13 total cpu time spent up to now is 18.8 secs Computing kpt #: 14 total cpu time spent up to now is 20.1 secs Computing kpt #: 15 total cpu time spent up to now is 21.5 secs Computing kpt #: 16 total cpu time spent up to now is 22.9 secs Computing kpt #: 17 total cpu time spent up to now is 24.2 secs Computing kpt #: 18 total cpu time spent up to now is 25.4 secs Computing kpt #: 19 total cpu time spent up to now is 26.6 secs Computing kpt #: 20 total cpu time spent up to now is 27.8 secs Computing kpt #: 21 total cpu time spent up to now is 29.0 secs Computing kpt #: 22 total cpu time spent up to now is 30.5 secs Computing kpt #: 23 total cpu time spent up to now is 31.7 secs Computing kpt #: 24 total cpu time spent up to now is 32.9 secs Computing kpt #: 25 total cpu time spent up to now is 34.1 secs Computing kpt #: 26 total cpu time spent up to now is 35.3 secs Computing kpt #: 27 total cpu time spent up to now is 36.5 secs Computing kpt #: 28 total cpu time spent up to now is 37.7 secs Computing kpt #: 29 total cpu time spent up to now is 38.9 secs Computing kpt #: 30 total cpu time spent up to now is 40.0 secs Computing kpt #: 31 total cpu time spent up to now is 41.1 secs Computing kpt #: 32 total cpu time spent up to now is 42.1 secs Computing kpt #: 33 total cpu time spent up to now is 43.1 secs Computing kpt #: 34 total cpu time spent up to now is 44.3 secs Computing kpt #: 35 total cpu time spent up to now is 45.4 secs Computing kpt #: 36 total cpu time spent up to now is 46.6 secs Computing kpt #: 37 total cpu time spent up to now is 47.8 secs Computing kpt #: 38 total cpu time spent up to now is 48.9 secs Computing kpt #: 39 total cpu time spent up to now is 50.1 secs Computing kpt #: 40 total cpu time spent up to now is 51.1 secs Computing kpt #: 41 total cpu time spent up to now is 52.0 secs Computing kpt #: 42 total cpu time spent up to now is 53.0 secs Computing kpt #: 43 total cpu time spent up to now is 53.9 secs Computing kpt #: 44 total cpu time spent up to now is 54.9 secs Computing kpt #: 45 total cpu time spent up to now is 55.8 secs Computing kpt #: 46 total cpu time spent up to now is 56.7 secs Computing kpt #: 47 total cpu time spent up to now is 57.7 secs Computing kpt #: 48 total cpu time spent up to now is 58.6 secs Computing kpt #: 49 total cpu time spent up to now is 59.5 secs Computing kpt #: 50 total cpu time spent up to now is 60.4 secs Computing kpt #: 51 total cpu time spent up to now is 61.4 secs Computing kpt #: 52 total cpu time spent up to now is 62.3 secs Computing kpt #: 53 total cpu time spent up to now is 63.2 secs Computing kpt #: 54 total cpu time spent up to now is 64.2 secs Computing kpt #: 55 total cpu time spent up to now is 65.1 secs Computing kpt #: 56 total cpu time spent up to now is 66.0 secs Computing kpt #: 57 total cpu time spent up to now is 66.9 secs Computing kpt #: 58 total cpu time spent up to now is 67.8 secs Computing kpt #: 59 total cpu time spent up to now is 68.8 secs Computing kpt #: 60 total cpu time spent up to now is 69.7 secs Computing kpt #: 61 total cpu time spent up to now is 70.7 secs Computing kpt #: 62 total cpu time spent up to now is 71.6 secs Computing kpt #: 63 total cpu time spent up to now is 72.6 secs Computing kpt #: 64 total cpu time spent up to now is 73.5 secs Computing kpt #: 65 total cpu time spent up to now is 74.5 secs Computing kpt #: 66 total cpu time spent up to now is 75.5 secs Computing kpt #: 67 total cpu time spent up to now is 76.4 secs Computing kpt #: 68 total cpu time spent up to now is 77.4 secs Computing kpt #: 69 total cpu time spent up to now is 78.4 secs Computing kpt #: 70 total cpu time spent up to now is 79.4 secs Computing kpt #: 71 total cpu time spent up to now is 80.4 secs Computing kpt #: 72 total cpu time spent up to now is 81.4 secs Computing kpt #: 73 total cpu time spent up to now is 82.4 secs Computing kpt #: 74 total cpu time spent up to now is 83.4 secs Computing kpt #: 75 total cpu time spent up to now is 84.4 secs Computing kpt #: 76 total cpu time spent up to now is 85.5 secs Computing kpt #: 77 total cpu time spent up to now is 86.5 secs Computing kpt #: 78 total cpu time spent up to now is 87.5 secs Computing kpt #: 79 total cpu time spent up to now is 88.5 secs Computing kpt #: 80 total cpu time spent up to now is 89.5 secs Computing kpt #: 81 total cpu time spent up to now is 90.5 secs Computing kpt #: 82 total cpu time spent up to now is 91.5 secs Computing kpt #: 83 total cpu time spent up to now is 92.5 secs Computing kpt #: 84 total cpu time spent up to now is 93.4 secs Computing kpt #: 85 total cpu time spent up to now is 94.4 secs Computing kpt #: 86 total cpu time spent up to now is 95.3 secs Computing kpt #: 87 total cpu time spent up to now is 96.3 secs Computing kpt #: 88 total cpu time spent up to now is 97.2 secs Computing kpt #: 89 total cpu time spent up to now is 98.2 secs Computing kpt #: 90 total cpu time spent up to now is 99.1 secs Computing kpt #: 91 total cpu time spent up to now is 100.0 secs Computing kpt #: 92 total cpu time spent up to now is 101.0 secs Computing kpt #: 93 total cpu time spent up to now is 101.9 secs Computing kpt #: 94 total cpu time spent up to now is 102.8 secs Computing kpt #: 95 total cpu time spent up to now is 103.8 secs Computing kpt #: 96 total cpu time spent up to now is 104.9 secs Computing kpt #: 97 total cpu time spent up to now is 105.8 secs Computing kpt #: 98 total cpu time spent up to now is 106.7 secs Computing kpt #: 99 total cpu time spent up to now is 107.7 secs Computing kpt #: 100 total cpu time spent up to now is 108.6 secs Computing kpt #: 101 total cpu time spent up to now is 109.6 secs Computing kpt #: 102 total cpu time spent up to now is 110.5 secs Computing kpt #: 103 total cpu time spent up to now is 111.5 secs Computing kpt #: 104 total cpu time spent up to now is 112.4 secs Computing kpt #: 105 total cpu time spent up to now is 113.4 secs Computing kpt #: 106 total cpu time spent up to now is 114.3 secs Computing kpt #: 107 total cpu time spent up to now is 115.3 secs Computing kpt #: 108 total cpu time spent up to now is 116.2 secs Computing kpt #: 109 total cpu time spent up to now is 117.2 secs Computing kpt #: 110 total cpu time spent up to now is 118.1 secs Computing kpt #: 111 total cpu time spent up to now is 119.1 secs Computing kpt #: 112 total cpu time spent up to now is 120.1 secs Computing kpt #: 113 total cpu time spent up to now is 121.0 secs Computing kpt #: 114 total cpu time spent up to now is 122.0 secs Computing kpt #: 115 total cpu time spent up to now is 123.0 secs Computing kpt #: 116 total cpu time spent up to now is 124.0 secs Computing kpt #: 117 total cpu time spent up to now is 125.0 secs Computing kpt #: 118 total cpu time spent up to now is 125.9 secs Computing kpt #: 119 total cpu time spent up to now is 126.9 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 128.8 secs Computing kpt #: 122 total cpu time spent up to now is 129.8 secs Computing kpt #: 123 total cpu time spent up to now is 130.8 secs Computing kpt #: 124 total cpu time spent up to now is 131.7 secs Computing kpt #: 125 total cpu time spent up to now is 132.7 secs Computing kpt #: 126 total cpu time spent up to now is 133.7 secs Computing kpt #: 127 total cpu time spent up to now is 134.6 secs Computing kpt #: 128 total cpu time spent up to now is 135.6 secs Computing kpt #: 129 total cpu time spent up to now is 136.5 secs Computing kpt #: 130 total cpu time spent up to now is 137.5 secs Computing kpt #: 131 total cpu time spent up to now is 138.4 secs Computing kpt #: 132 total cpu time spent up to now is 139.3 secs Computing kpt #: 133 total cpu time spent up to now is 140.3 secs Computing kpt #: 134 total cpu time spent up to now is 141.2 secs Computing kpt #: 135 total cpu time spent up to now is 142.1 secs Computing kpt #: 136 total cpu time spent up to now is 143.0 secs Computing kpt #: 137 total cpu time spent up to now is 144.0 secs Computing kpt #: 138 total cpu time spent up to now is 144.9 secs Computing kpt #: 139 total cpu time spent up to now is 145.8 secs Computing kpt #: 140 total cpu time spent up to now is 146.8 secs Computing kpt #: 141 total cpu time spent up to now is 147.7 secs Computing kpt #: 142 total cpu time spent up to now is 148.7 secs Computing kpt #: 143 total cpu time spent up to now is 149.6 secs Computing kpt #: 144 total cpu time spent up to now is 150.6 secs Computing kpt #: 145 total cpu time spent up to now is 151.6 secs Computing kpt #: 146 total cpu time spent up to now is 152.5 secs Computing kpt #: 147 total cpu time spent up to now is 153.5 secs Computing kpt #: 148 total cpu time spent up to now is 154.4 secs Computing kpt #: 149 total cpu time spent up to now is 155.3 secs Computing kpt #: 150 total cpu time spent up to now is 156.3 secs Computing kpt #: 151 total cpu time spent up to now is 157.2 secs Computing kpt #: 152 total cpu time spent up to now is 158.2 secs Computing kpt #: 153 total cpu time spent up to now is 159.1 secs Computing kpt #: 154 total cpu time spent up to now is 160.1 secs Computing kpt #: 155 total cpu time spent up to now is 161.0 secs Computing kpt #: 156 total cpu time spent up to now is 162.0 secs Computing kpt #: 157 total cpu time spent up to now is 162.9 secs Computing kpt #: 158 total cpu time spent up to now is 163.9 secs Computing kpt #: 159 total cpu time spent up to now is 164.8 secs Computing kpt #: 160 total cpu time spent up to now is 165.8 secs Computing kpt #: 161 total cpu time spent up to now is 166.7 secs Computing kpt #: 162 total cpu time spent up to now is 167.6 secs Computing kpt #: 163 total cpu time spent up to now is 168.6 secs Computing kpt #: 164 total cpu time spent up to now is 169.5 secs Computing kpt #: 165 total cpu time spent up to now is 170.5 secs Computing kpt #: 166 total cpu time spent up to now is 171.4 secs Computing kpt #: 167 total cpu time spent up to now is 172.3 secs Computing kpt #: 168 total cpu time spent up to now is 173.2 secs Computing kpt #: 169 total cpu time spent up to now is 174.1 secs Computing kpt #: 170 total cpu time spent up to now is 175.1 secs Computing kpt #: 171 total cpu time spent up to now is 176.0 secs Computing kpt #: 172 total cpu time spent up to now is 176.9 secs Computing kpt #: 173 total cpu time spent up to now is 177.8 secs Computing kpt #: 174 total cpu time spent up to now is 178.7 secs Computing kpt #: 175 total cpu time spent up to now is 179.7 secs Computing kpt #: 176 total cpu time spent up to now is 180.6 secs Computing kpt #: 177 total cpu time spent up to now is 181.5 secs Computing kpt #: 178 total cpu time spent up to now is 182.4 secs Computing kpt #: 179 total cpu time spent up to now is 183.3 secs Computing kpt #: 180 total cpu time spent up to now is 184.3 secs Computing kpt #: 181 total cpu time spent up to now is 185.2 secs Computing kpt #: 182 total cpu time spent up to now is 186.1 secs Computing kpt #: 183 total cpu time spent up to now is 187.1 secs Computing kpt #: 184 total cpu time spent up to now is 188.1 secs Computing kpt #: 185 total cpu time spent up to now is 189.2 secs Computing kpt #: 186 total cpu time spent up to now is 190.3 secs Computing kpt #: 187 total cpu time spent up to now is 191.3 secs Computing kpt #: 188 total cpu time spent up to now is 192.4 secs Computing kpt #: 189 total cpu time spent up to now is 193.3 secs Computing kpt #: 190 total cpu time spent up to now is 194.3 secs Computing kpt #: 191 total cpu time spent up to now is 195.2 secs Computing kpt #: 192 total cpu time spent up to now is 196.1 secs Computing kpt #: 193 total cpu time spent up to now is 197.1 secs Computing kpt #: 194 total cpu time spent up to now is 198.0 secs Computing kpt #: 195 total cpu time spent up to now is 199.0 secs Computing kpt #: 196 total cpu time spent up to now is 199.9 secs Computing kpt #: 197 total cpu time spent up to now is 200.8 secs Computing kpt #: 198 total cpu time spent up to now is 201.8 secs Computing kpt #: 199 total cpu time spent up to now is 202.7 secs Computing kpt #: 200 total cpu time spent up to now is 203.6 secs Computing kpt #: 201 total cpu time spent up to now is 204.6 secs Computing kpt #: 202 total cpu time spent up to now is 205.5 secs Computing kpt #: 203 total cpu time spent up to now is 206.4 secs Computing kpt #: 204 total cpu time spent up to now is 207.4 secs Computing kpt #: 205 total cpu time spent up to now is 208.3 secs Computing kpt #: 206 total cpu time spent up to now is 209.2 secs Computing kpt #: 207 total cpu time spent up to now is 210.2 secs Computing kpt #: 208 total cpu time spent up to now is 211.1 secs Computing kpt #: 209 total cpu time spent up to now is 212.1 secs Computing kpt #: 210 total cpu time spent up to now is 213.1 secs Computing kpt #: 211 total cpu time spent up to now is 214.2 secs Computing kpt #: 212 total cpu time spent up to now is 215.3 secs Computing kpt #: 213 total cpu time spent up to now is 216.4 secs Computing kpt #: 214 total cpu time spent up to now is 217.5 secs Computing kpt #: 215 total cpu time spent up to now is 218.6 secs Computing kpt #: 216 total cpu time spent up to now is 219.7 secs Computing kpt #: 217 total cpu time spent up to now is 220.8 secs Computing kpt #: 218 total cpu time spent up to now is 221.9 secs Computing kpt #: 219 total cpu time spent up to now is 223.0 secs Computing kpt #: 220 total cpu time spent up to now is 224.1 secs Computing kpt #: 221 total cpu time spent up to now is 225.1 secs Computing kpt #: 222 total cpu time spent up to now is 226.2 secs Computing kpt #: 223 total cpu time spent up to now is 227.3 secs Computing kpt #: 224 total cpu time spent up to now is 228.4 secs Computing kpt #: 225 total cpu time spent up to now is 229.6 secs Computing kpt #: 226 total cpu time spent up to now is 231.0 secs Computing kpt #: 227 total cpu time spent up to now is 232.0 secs Computing kpt #: 228 total cpu time spent up to now is 232.9 secs Computing kpt #: 229 total cpu time spent up to now is 234.0 secs Computing kpt #: 230 total cpu time spent up to now is 235.1 secs Computing kpt #: 231 total cpu time spent up to now is 236.0 secs Computing kpt #: 232 total cpu time spent up to now is 237.1 secs Computing kpt #: 233 total cpu time spent up to now is 238.3 secs Computing kpt #: 234 total cpu time spent up to now is 239.5 secs Computing kpt #: 235 total cpu time spent up to now is 240.7 secs Computing kpt #: 236 total cpu time spent up to now is 241.9 secs Computing kpt #: 237 total cpu time spent up to now is 243.1 secs Computing kpt #: 238 total cpu time spent up to now is 244.2 secs Computing kpt #: 239 total cpu time spent up to now is 245.5 secs Computing kpt #: 240 total cpu time spent up to now is 246.7 secs Computing kpt #: 241 total cpu time spent up to now is 247.9 secs Computing kpt #: 242 total cpu time spent up to now is 249.1 secs Computing kpt #: 243 total cpu time spent up to now is 250.4 secs Computing kpt #: 244 total cpu time spent up to now is 251.6 secs Computing kpt #: 245 total cpu time spent up to now is 253.1 secs Computing kpt #: 246 total cpu time spent up to now is 254.4 secs Computing kpt #: 247 total cpu time spent up to now is 255.7 secs Computing kpt #: 248 total cpu time spent up to now is 257.9 secs Computing kpt #: 249 total cpu time spent up to now is 259.3 secs Computing kpt #: 250 total cpu time spent up to now is 260.8 secs Computing kpt #: 251 total cpu time spent up to now is 262.0 secs Computing kpt #: 252 total cpu time spent up to now is 263.2 secs Computing kpt #: 253 total cpu time spent up to now is 264.4 secs Computing kpt #: 254 total cpu time spent up to now is 265.5 secs Computing kpt #: 255 total cpu time spent up to now is 266.7 secs Computing kpt #: 256 total cpu time spent up to now is 267.8 secs Computing kpt #: 257 total cpu time spent up to now is 269.0 secs Computing kpt #: 258 total cpu time spent up to now is 270.1 secs Computing kpt #: 259 total cpu time spent up to now is 271.2 secs Computing kpt #: 260 total cpu time spent up to now is 272.1 secs Computing kpt #: 261 total cpu time spent up to now is 273.1 secs Computing kpt #: 262 total cpu time spent up to now is 274.2 secs Computing kpt #: 263 total cpu time spent up to now is 275.3 secs Computing kpt #: 264 total cpu time spent up to now is 276.4 secs Computing kpt #: 265 total cpu time spent up to now is 277.5 secs Computing kpt #: 266 total cpu time spent up to now is 278.6 secs Computing kpt #: 267 total cpu time spent up to now is 279.6 secs Computing kpt #: 268 total cpu time spent up to now is 280.7 secs Computing kpt #: 269 total cpu time spent up to now is 281.8 secs Computing kpt #: 270 total cpu time spent up to now is 282.9 secs Computing kpt #: 271 total cpu time spent up to now is 283.9 secs Computing kpt #: 272 total cpu time spent up to now is 284.8 secs Computing kpt #: 273 total cpu time spent up to now is 285.9 secs Computing kpt #: 274 total cpu time spent up to now is 287.0 secs Computing kpt #: 275 total cpu time spent up to now is 288.1 secs Computing kpt #: 276 total cpu time spent up to now is 289.2 secs Computing kpt #: 277 total cpu time spent up to now is 290.3 secs ethr = 1.67E-08, avg # of iterations = 21.5 total cpu time spent up to now is 290.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6171 PWs) bands (ev): -53.8123 -53.8123 -53.8114 -53.8114 -28.1167 -28.1167 -28.1088 -28.1088 -20.4645 -20.4645 -20.4326 -20.4326 -20.3483 -20.3483 -20.3281 -20.3281 -7.2845 -7.2845 -6.9299 -6.9299 -4.9252 -4.9252 -3.6340 -3.6340 -2.3287 -2.3287 -2.3016 -2.3016 1.8684 1.8684 2.2276 2.2276 2.9480 2.9480 3.2044 3.2044 3.3614 3.3614 4.3523 4.3523 4.5407 4.5407 5.2824 5.2824 5.6996 5.6996 6.6811 6.6811 7.1559 7.1559 7.2534 7.2534 7.3844 7.3844 7.4935 7.4935 7.6364 7.6364 7.7313 7.7313 8.9368 8.9368 9.6356 9.6356 11.5207 11.5207 11.5612 11.5612 11.9561 11.9561 12.1750 12.1750 k = 0.0000 0.0000 0.0112 ( 6178 PWs) bands (ev): -53.8123 -53.8123 -53.8114 -53.8114 -28.1167 -28.1167 -28.1089 -28.1089 -20.4646 -20.4646 -20.4326 -20.4326 -20.3484 -20.3484 -20.3281 -20.3281 -7.2840 -7.2840 -6.9307 -6.9307 -4.9249 -4.9249 -3.6339 -3.6339 -2.3287 -2.3287 -2.3015 -2.3015 1.8689 1.8689 2.2278 2.2278 2.9336 2.9336 3.2063 3.2063 3.3750 3.3750 4.3524 4.3524 4.5405 4.5405 5.2828 5.2828 5.7001 5.7001 6.6794 6.6794 7.1498 7.1498 7.2582 7.2582 7.3848 7.3848 7.4934 7.4934 7.6358 7.6358 7.7307 7.7307 8.9362 8.9362 9.6362 9.6362 11.5208 11.5208 11.5609 11.5609 11.9572 11.9572 12.1728 12.1728 k = 0.0000 0.0000 0.0225 ( 6176 PWs) bands (ev): -53.8123 -53.8123 -53.8114 -53.8114 -28.1167 -28.1167 -28.1089 -28.1089 -20.4646 -20.4646 -20.4326 -20.4326 -20.3484 -20.3484 -20.3281 -20.3281 -7.2823 -7.2823 -6.9329 -6.9329 -4.9239 -4.9239 -3.6339 -3.6339 -2.3288 -2.3288 -2.3015 -2.3015 1.8704 1.8704 2.2285 2.2285 2.8960 2.8960 3.2098 3.2098 3.4125 3.4125 4.3526 4.3526 4.5397 4.5397 5.2841 5.2841 5.7015 5.7015 6.6741 6.6741 7.1346 7.1346 7.2698 7.2698 7.3859 7.3859 7.4931 7.4931 7.6341 7.6341 7.7292 7.7292 8.9346 8.9346 9.6379 9.6379 11.5212 11.5212 11.5600 11.5600 11.9604 11.9604 12.1667 12.1667 k = 0.0000 0.0000 0.0337 ( 6177 PWs) bands (ev): -53.8123 -53.8123 -53.8114 -53.8114 -28.1167 -28.1167 -28.1089 -28.1089 -20.4645 -20.4645 -20.4326 -20.4326 -20.3484 -20.3484 -20.3281 -20.3281 -7.2796 -7.2796 -6.9367 -6.9367 -4.9224 -4.9224 -3.6339 -3.6339 -2.3289 -2.3289 -2.3014 -2.3014 1.8729 1.8729 2.2295 2.2295 2.8450 2.8450 3.2126 3.2126 3.4660 3.4660 4.3531 4.3531 4.5385 4.5385 5.2863 5.2863 5.7038 5.7038 6.6647 6.6647 7.1154 7.1154 7.2835 7.2835 7.3878 7.3878 7.4926 7.4926 7.6312 7.6312 7.7267 7.7267 8.9319 8.9319 9.6407 9.6407 11.5217 11.5217 11.5586 11.5586 11.9654 11.9654 12.1581 12.1581 k = 0.0000 0.0000 0.0449 ( 6170 PWs) bands (ev): -53.8123 -53.8123 -53.8114 -53.8114 -28.1167 -28.1167 -28.1088 -28.1088 -20.4645 -20.4645 -20.4326 -20.4326 -20.3484 -20.3484 -20.3281 -20.3281 -7.2758 -7.2758 -6.9418 -6.9418 -4.9204 -4.9204 -3.6339 -3.6339 -2.3290 -2.3290 -2.3013 -2.3013 1.8765 1.8765 2.2310 2.2310 2.7876 2.7876 3.2145 3.2145 3.5289 3.5289 4.3536 4.3536 4.5368 4.5368 5.2897 5.2897 5.7069 5.7069 6.6507 6.6507 7.0952 7.0952 7.2967 7.2967 7.3904 7.3904 7.4918 7.4918 7.6273 7.6273 7.7236 7.7236 8.9286 8.9286 9.6442 9.6442 11.5225 11.5225 11.5568 11.5568 11.9714 11.9714 12.1483 12.1483 k = 0.0000 0.0000 0.0562 ( 6168 PWs) bands (ev): -53.8123 -53.8123 -53.8114 -53.8114 -28.1167 -28.1167 -28.1088 -28.1088 -20.4645 -20.4645 -20.4326 -20.4326 -20.3484 -20.3484 -20.3281 -20.3281 -7.2710 -7.2710 -6.9483 -6.9483 -4.9178 -4.9178 -3.6339 -3.6339 -2.3292 -2.3292 -2.3011 -2.3011 1.8812 1.8812 2.2327 2.2327 2.7275 2.7275 3.2157 3.2157 3.5966 3.5966 4.3544 4.3544 4.5347 4.5347 5.2943 5.2943 5.7108 5.7108 6.6314 6.6314 7.0762 7.0762 7.3082 7.3082 7.3938 7.3938 7.4909 7.4909 7.6226 7.6226 7.7198 7.7198 8.9247 8.9247 9.6482 9.6482 11.5235 11.5235 11.5547 11.5547 11.9778 11.9778 12.1387 12.1387 k = 0.0000 0.0000 0.0674 ( 6165 PWs) bands (ev): -53.8123 -53.8123 -53.8114 -53.8114 -28.1167 -28.1167 -28.1088 -28.1088 -20.4645 -20.4645 -20.4326 -20.4326 -20.3484 -20.3484 -20.3281 -20.3281 -7.2652 -7.2652 -6.9561 -6.9561 -4.9149 -4.9149 -3.6338 -3.6338 -2.3294 -2.3294 -2.3009 -2.3009 1.8871 1.8871 2.2348 2.2348 2.6670 2.6670 3.2165 3.2165 3.6663 3.6663 4.3552 4.3552 4.5322 4.5322 5.3004 5.3004 5.7153 5.7153 6.6062 6.6062 7.0596 7.0596 7.3178 7.3178 7.3977 7.3977 7.4898 7.4898 7.6172 7.6172 7.7158 7.7158 8.9206 8.9206 9.6525 9.6525 11.5246 11.5246 11.5526 11.5526 11.9837 11.9837 12.1306 12.1306 k = 0.0000 0.0000 0.0786 ( 6173 PWs) bands (ev): -53.8123 -53.8123 -53.8114 -53.8114 -28.1167 -28.1167 -28.1088 -28.1088 -20.4645 -20.4645 -20.4326 -20.4326 -20.3484 -20.3484 -20.3281 -20.3281 -7.2584 -7.2584 -6.9650 -6.9650 -4.9117 -4.9117 -3.6338 -3.6338 -2.3297 -2.3297 -2.3008 -2.3008 1.8943 1.8943 2.2371 2.2371 2.6072 2.6072 3.2171 3.2171 3.7362 3.7362 4.3562 4.3562 4.5295 4.5295 5.3082 5.3082 5.7204 5.7204 6.5751 6.5751 7.0458 7.0458 7.3253 7.3253 7.4020 7.4020 7.4885 7.4885 7.6113 7.6113 7.7117 7.7117 8.9164 8.9164 9.6568 9.6568 11.5259 11.5259 11.5503 11.5503 11.9887 11.9887 12.1247 12.1247 k = 0.0000 0.0000 0.0898 ( 6176 PWs) bands (ev): -53.8123 -53.8123 -53.8114 -53.8114 -28.1167 -28.1167 -28.1089 -28.1089 -20.4645 -20.4645 -20.4326 -20.4326 -20.3484 -20.3484 -20.3281 -20.3281 -7.2507 -7.2507 -6.9750 -6.9750 -4.9082 -4.9082 -3.6338 -3.6338 -2.3299 -2.3299 -2.3006 -2.3006 1.9028 1.9028 2.2395 2.2395 2.5490 2.5490 3.2175 3.2175 3.8048 3.8048 4.3572 4.3572 4.5266 4.5266 5.3179 5.3179 5.7258 5.7258 6.5383 6.5383 7.0350 7.0350 7.3310 7.3310 7.4063 7.4063 7.4870 7.4870 7.6052 7.6052 7.7077 7.7077 8.9125 8.9125 9.6608 9.6608 11.5272 11.5272 11.5481 11.5481 11.9924 11.9924 12.1209 12.1209 k = 0.0000 0.0000 0.1011 ( 6178 PWs) bands (ev): -53.8123 -53.8123 -53.8114 -53.8114 -28.1167 -28.1167 -28.1089 -28.1089 -20.4645 -20.4645 -20.4326 -20.4326 -20.3484 -20.3484 -20.3281 -20.3281 -7.2421 -7.2421 -6.9859 -6.9859 -4.9047 -4.9047 -3.6337 -3.6337 -2.3302 -2.3302 -2.3004 -2.3004 1.9128 1.9128 2.2420 2.2420 2.4928 2.4928 3.2178 3.2178 3.8710 3.8710 4.3583 4.3583 4.5236 4.5236 5.3298 5.3298 5.7316 5.7316 6.4966 6.4966 7.0270 7.0270 7.3355 7.3355 7.4104 7.4104 7.4854 7.4854 7.5990 7.5990 7.7038 7.7038 8.9089 8.9089 9.6645 9.6645 11.5285 11.5285 11.5459 11.5459 11.9953 11.9953 12.1189 12.1189 k = 0.0000 0.0000 0.1123 ( 6186 PWs) bands (ev): -53.8123 -53.8123 -53.8114 -53.8114 -28.1167 -28.1167 -28.1089 -28.1089 -20.4645 -20.4645 -20.4327 -20.4327 -20.3484 -20.3484 -20.3281 -20.3281 -7.2328 -7.2328 -6.9976 -6.9976 -4.9011 -4.9011 -3.6337 -3.6337 -2.3305 -2.3305 -2.3002 -2.3002 1.9244 1.9244 2.2445 2.2445 2.4389 2.4389 3.2180 3.2180 3.9335 3.9335 4.3595 4.3595 4.5205 4.5205 5.3439 5.3439 5.7375 5.7375 6.4510 6.4510 7.0212 7.0212 7.3389 7.3389 7.4143 7.4143 7.4837 7.4837 7.5930 7.5930 7.7003 7.7003 8.9057 8.9057 9.6676 9.6676 11.5297 11.5297 11.5438 11.5438 11.9980 11.9980 12.1178 12.1178 k = 0.0000 0.0000 0.1235 ( 6182 PWs) bands (ev): -53.8123 -53.8123 -53.8114 -53.8114 -28.1168 -28.1168 -28.1089 -28.1089 -20.4645 -20.4645 -20.4327 -20.4327 -20.3484 -20.3484 -20.3281 -20.3281 -7.2228 -7.2228 -7.0098 -7.0098 -4.8977 -4.8977 -3.6337 -3.6337 -2.3307 -2.3307 -2.3000 -2.3000 1.9375 1.9375 2.2469 2.2469 2.3877 2.3877 3.2181 3.2181 3.9915 3.9915 4.3606 4.3606 4.5176 4.5176 5.3601 5.3601 5.7435 5.7435 6.4029 6.4029 7.0172 7.0172 7.3416 7.3416 7.4177 7.4177 7.4819 7.4819 7.5872 7.5872 7.6971 7.6971 8.9030 8.9030 9.6702 9.6702 11.5306 11.5306 11.5421 11.5421 12.0012 12.0012 12.1165 12.1165 k = 0.0000 0.0000 0.1348 ( 6187 PWs) bands (ev): -53.8123 -53.8123 -53.8114 -53.8114 -28.1168 -28.1168 -28.1089 -28.1089 -20.4646 -20.4646 -20.4327 -20.4327 -20.3484 -20.3484 -20.3281 -20.3281 -7.2123 -7.2123 -7.0224 -7.0224 -4.8945 -4.8945 -3.6336 -3.6336 -2.3309 -2.3309 -2.2998 -2.2998 1.9524 1.9524 2.2490 2.2490 2.3395 2.3395 3.2182 3.2182 4.0439 4.0439 4.3617 4.3617 4.5147 4.5147 5.3782 5.3782 5.7493 5.7493 6.3538 6.3538 7.0143 7.0143 7.3438 7.3438 7.4208 7.4208 7.4800 7.4800 7.5820 7.5820 7.6943 7.6943 8.9008 8.9008 9.6723 9.6723 11.5309 11.5309 11.5409 11.5409 12.0056 12.0056 12.1142 12.1142 k = 0.0000 0.0000 0.1460 ( 6182 PWs) bands (ev): -53.8123 -53.8123 -53.8114 -53.8114 -28.1168 -28.1168 -28.1089 -28.1089 -20.4645 -20.4645 -20.4327 -20.4327 -20.3484 -20.3484 -20.3281 -20.3281 -7.2014 -7.2014 -7.0351 -7.0351 -4.8917 -4.8917 -3.6336 -3.6336 -2.3311 -2.3311 -2.2996 -2.2996 1.9690 1.9690 2.2507 2.2507 2.2945 2.2945 3.2182 3.2182 4.0899 4.0899 4.3628 4.3628 4.5122 4.5122 5.3977 5.3977 5.7550 5.7550 6.3056 6.3056 7.0122 7.0122 7.3457 7.3457 7.4236 7.4236 7.4781 7.4781 7.5773 7.5773 7.6919 7.6919 8.8991 8.8991 9.6739 9.6739 11.5305 11.5305 11.5404 11.5404 12.0113 12.0113 12.1104 12.1104 k = 0.0000 0.0000 0.1572 ( 6175 PWs) bands (ev): -53.8123 -53.8123 -53.8114 -53.8114 -28.1167 -28.1167 -28.1088 -28.1088 -20.4645 -20.4645 -20.4327 -20.4327 -20.3484 -20.3484 -20.3281 -20.3281 -7.1906 -7.1906 -7.0476 -7.0476 -4.8892 -4.8892 -3.6336 -3.6336 -2.3313 -2.3313 -2.2995 -2.2995 1.9873 1.9873 2.2467 2.2467 2.2584 2.2584 3.2182 3.2182 4.1286 4.1286 4.3637 4.3637 4.5099 4.5099 5.4173 5.4173 5.7603 5.7603 6.2605 6.2605 7.0107 7.0107 7.3473 7.3473 7.4260 7.4260 7.4763 7.4763 7.5733 7.5733 7.6899 7.6899 8.8978 8.8978 9.6750 9.6750 11.5294 11.5294 11.5405 11.5405 12.0185 12.0185 12.1049 12.1049 k = 0.0000 0.0000 0.1685 ( 6177 PWs) bands (ev): -53.8123 -53.8123 -53.8114 -53.8114 -28.1167 -28.1167 -28.1088 -28.1088 -20.4645 -20.4645 -20.4327 -20.4327 -20.3484 -20.3484 -20.3281 -20.3281 -7.1802 -7.1802 -7.0593 -7.0593 -4.8872 -4.8872 -3.6335 -3.6335 -2.3314 -2.3314 -2.2994 -2.2994 2.0070 2.0070 2.2126 2.2126 2.2556 2.2556 3.2182 3.2182 4.1593 4.1593 4.3644 4.3644 4.5081 4.5081 5.4358 5.4358 5.7651 5.7651 6.2207 6.2207 7.0096 7.0096 7.3485 7.3485 7.4280 7.4280 7.4747 7.4747 7.5702 7.5702 7.6883 7.6883 8.8968 8.8968 9.6758 9.6758 11.5282 11.5282 11.5409 11.5409 12.0269 12.0269 12.0980 12.0980 k = 0.0000 0.0000 0.1797 ( 6167 PWs) bands (ev): -53.8123 -53.8123 -53.8114 -53.8114 -28.1167 -28.1167 -28.1088 -28.1088 -20.4645 -20.4645 -20.4326 -20.4326 -20.3484 -20.3484 -20.3280 -20.3280 -7.1710 -7.1710 -7.0695 -7.0695 -4.8857 -4.8857 -3.6335 -3.6335 -2.3315 -2.3315 -2.2993 -2.2993 2.0272 2.0272 2.1794 2.1794 2.2563 2.2563 3.2182 3.2182 4.1817 4.1817 4.3650 4.3650 4.5067 4.5067 5.4511 5.4511 5.7691 5.7691 6.1893 6.1893 7.0089 7.0089 7.3495 7.3495 7.4295 7.4295 7.4734 7.4734 7.5679 7.5679 7.6872 7.6872 8.8962 8.8962 9.6762 9.6762 11.5272 11.5272 11.5413 11.5413 12.0357 12.0357 12.0903 12.0903 k = 0.0000 0.0000 0.1909 ( 6160 PWs) bands (ev): -53.8123 -53.8123 -53.8114 -53.8114 -28.1167 -28.1167 -28.1088 -28.1088 -20.4644 -20.4644 -20.4327 -20.4327 -20.3483 -20.3483 -20.3280 -20.3280 -7.1644 -7.1644 -7.0767 -7.0767 -4.8848 -4.8848 -3.6335 -3.6335 -2.3316 -2.3316 -2.2993 -2.2993 2.0452 2.0452 2.1535 2.1535 2.2569 2.2569 3.2182 3.2182 4.1952 4.1952 4.3653 4.3653 4.5059 4.5059 5.4613 5.4613 5.7718 5.7718 6.1689 6.1689 7.0084 7.0084 7.3501 7.3501 7.4305 7.4305 7.4726 7.4726 7.5665 7.5665 7.6865 7.6865 8.8958 8.8958 9.6765 9.6765 11.5265 11.5265 11.5416 11.5416 12.0436 12.0436 12.0831 12.0831 k = 0.0000 0.0000 0.2021 ( 6162 PWs) bands (ev): -53.8123 -53.8123 -53.8114 -53.8114 -28.1167 -28.1167 -28.1088 -28.1088 -20.4645 -20.4645 -20.4326 -20.4326 -20.3483 -20.3483 -20.3280 -20.3280 -7.1618 -7.1618 -7.0794 -7.0794 -4.8845 -4.8845 -3.6335 -3.6335 -2.3316 -2.3316 -2.2992 -2.2992 2.0535 2.0535 2.1425 2.1425 2.2571 2.2571 3.2182 3.2182 4.1998 4.1998 4.3654 4.3654 4.5056 4.5056 5.4650 5.4650 5.7727 5.7727 6.1618 6.1618 7.0083 7.0083 7.3503 7.3503 7.4308 7.4308 7.4723 7.4723 7.5660 7.5660 7.6862 7.6862 8.8957 8.8957 9.6766 9.6766 11.5262 11.5262 11.5417 11.5417 12.0472 12.0472 12.0797 12.0797 k = 0.0000 0.0000 0.2021 ( 6162 PWs) bands (ev): -53.8123 -53.8123 -53.8114 -53.8114 -28.1167 -28.1167 -28.1088 -28.1088 -20.4645 -20.4645 -20.4326 -20.4326 -20.3483 -20.3483 -20.3280 -20.3280 -7.1618 -7.1618 -7.0794 -7.0794 -4.8845 -4.8845 -3.6335 -3.6335 -2.3316 -2.3316 -2.2992 -2.2992 2.0535 2.0535 2.1425 2.1425 2.2571 2.2571 3.2182 3.2182 4.1998 4.1998 4.3654 4.3654 4.5056 4.5056 5.4650 5.4650 5.7727 5.7727 6.1618 6.1618 7.0083 7.0083 7.3503 7.3503 7.4308 7.4308 7.4723 7.4723 7.5660 7.5660 7.6862 7.6862 8.8957 8.8957 9.6766 9.6766 11.5262 11.5262 11.5417 11.5417 12.0472 12.0472 12.0797 12.0797 k = 0.0000 0.0111 0.2021 ( 6166 PWs) bands (ev): -53.8123 -53.8123 -53.8114 -53.8114 -28.1167 -28.1167 -28.1088 -28.1088 -20.4644 -20.4644 -20.4327 -20.4327 -20.3483 -20.3483 -20.3281 -20.3281 -7.1614 -7.1614 -7.0788 -7.0788 -4.8838 -4.8838 -3.6345 -3.6345 -2.3360 -2.3360 -2.2999 -2.2999 2.0580 2.0580 2.1439 2.1439 2.2596 2.2596 3.2215 3.2215 4.1989 4.1989 4.3657 4.3657 4.5059 4.5059 5.4654 5.4654 5.7729 5.7729 6.1621 6.1621 7.0063 7.0063 7.3454 7.3454 7.4249 7.4249 7.4728 7.4728 7.5698 7.5698 7.6842 7.6842 8.8971 8.8971 9.6770 9.6770 11.5148 11.5148 11.5469 11.5469 12.0441 12.0441 12.0850 12.0850 k = 0.0000 0.0222 0.2021 ( 6171 PWs) bands (ev): -53.8123 -53.8123 -53.8114 -53.8114 -28.1167 -28.1167 -28.1088 -28.1088 -20.4644 -20.4644 -20.4327 -20.4327 -20.3483 -20.3483 -20.3282 -20.3282 -7.1599 -7.1599 -7.0771 -7.0771 -4.8816 -4.8816 -3.6375 -3.6375 -2.3482 -2.3482 -2.3028 -2.3028 2.0715 2.0715 2.1474 2.1474 2.2679 2.2679 3.2315 3.2315 4.1964 4.1964 4.3666 4.3666 4.5066 4.5066 5.4667 5.4667 5.7736 5.7736 6.1630 6.1630 7.0005 7.0005 7.3308 7.3308 7.4102 7.4102 7.4733 7.4733 7.5783 7.5783 7.6791 7.6791 8.9015 8.9015 9.6783 9.6783 11.4894 11.4894 11.5542 11.5542 12.0356 12.0356 12.0984 12.0984 k = 0.0000 0.0333 0.2021 ( 6175 PWs) bands (ev): -53.8123 -53.8123 -53.8114 -53.8114 -28.1167 -28.1167 -28.1089 -28.1089 -20.4644 -20.4644 -20.4329 -20.4329 -20.3483 -20.3483 -20.3283 -20.3283 -7.1574 -7.1574 -7.0742 -7.0742 -4.8781 -4.8781 -3.6425 -3.6425 -2.3665 -2.3665 -2.3093 -2.3093 2.0939 2.0939 2.1514 2.1514 2.2835 2.2835 3.2480 3.2480 4.1921 4.1921 4.3681 4.3681 4.5079 4.5079 5.4690 5.4690 5.7748 5.7748 6.1646 6.1646 6.9907 6.9907 7.3074 7.3074 7.3903 7.3903 7.4729 7.4729 7.5855 7.5855 7.6741 7.6741 8.9086 8.9086 9.6803 9.6803 11.4539 11.4539 11.5624 11.5624 12.0215 12.0215 12.1154 12.1154 k = 0.0000 0.0444 0.2021 ( 6179 PWs) bands (ev): -53.8123 -53.8123 -53.8114 -53.8114 -28.1167 -28.1167 -28.1089 -28.1089 -20.4643 -20.4643 -20.4331 -20.4331 -20.3483 -20.3483 -20.3284 -20.3284 -7.1539 -7.1539 -7.0702 -7.0702 -4.8732 -4.8732 -3.6494 -3.6494 -2.3899 -2.3899 -2.3200 -2.3200 2.1248 2.1248 2.1544 2.1544 2.3079 2.3079 3.2708 3.2708 4.1861 4.1861 4.3701 4.3701 4.5097 4.5097 5.4721 5.4721 5.7764 5.7764 6.1665 6.1665 6.9766 6.9766 7.2770 7.2770 7.3659 7.3659 7.4714 7.4714 7.5856 7.5856 7.6737 7.6737 8.9186 8.9186 9.6829 9.6829 11.4101 11.4101 11.5721 11.5721 12.0007 12.0007 12.1311 12.1311 k = 0.0000 0.0555 0.2021 ( 6194 PWs) bands (ev): -53.8123 -53.8123 -53.8115 -53.8115 -28.1167 -28.1167 -28.1090 -28.1090 -20.4642 -20.4642 -20.4333 -20.4333 -20.3483 -20.3483 -20.3286 -20.3286 -7.1496 -7.1496 -7.0651 -7.0651 -4.8670 -4.8670 -3.6583 -3.6583 -2.4177 -2.4177 -2.3349 -2.3349 2.1546 2.1546 2.1651 2.1651 2.3416 2.3416 3.2997 3.2997 4.1783 4.1783 4.3727 4.3727 4.5119 4.5119 5.4762 5.4762 5.7786 5.7786 6.1687 6.1687 6.9578 6.9578 7.2413 7.2413 7.3368 7.3368 7.4690 7.4690 7.5768 7.5768 7.6797 7.6797 8.9312 8.9312 9.6860 9.6860 11.3597 11.3597 11.5838 11.5838 11.9716 11.9716 12.1400 12.1400 k = 0.0000 0.0665 0.2021 ( 6190 PWs) bands (ev): -53.8123 -53.8123 -53.8115 -53.8115 -28.1167 -28.1167 -28.1091 -28.1091 -20.4640 -20.4640 -20.4336 -20.4336 -20.3482 -20.3482 -20.3288 -20.3288 -7.1443 -7.1443 -7.0589 -7.0589 -4.8594 -4.8594 -3.6692 -3.6692 -2.4493 -2.4493 -2.3540 -2.3540 2.1549 2.1549 2.2119 2.2119 2.3843 2.3843 3.3345 3.3345 4.1685 4.1685 4.3759 4.3759 4.5147 4.5147 5.4811 5.4811 5.7812 5.7812 6.1709 6.1709 6.9339 6.9339 7.2020 7.2020 7.3024 7.3024 7.4655 7.4655 7.5629 7.5629 7.6893 7.6893 8.9465 8.9465 9.6893 9.6893 11.3039 11.3039 11.5972 11.5972 11.9336 11.9336 12.1332 12.1332 k = 0.0000 0.0776 0.2021 ( 6194 PWs) bands (ev): -53.8123 -53.8123 -53.8115 -53.8115 -28.1167 -28.1167 -28.1092 -28.1092 -20.4638 -20.4638 -20.4339 -20.4339 -20.3482 -20.3482 -20.3291 -20.3291 -7.1381 -7.1381 -7.0517 -7.0517 -4.8504 -4.8504 -3.6821 -3.6821 -2.4842 -2.4842 -2.3770 -2.3770 2.1538 2.1538 2.2667 2.2667 2.4351 2.4351 3.3748 3.3748 4.1569 4.1569 4.3795 4.3795 4.5178 4.5178 5.4870 5.4870 5.7844 5.7844 6.1730 6.1730 6.9039 6.9039 7.1602 7.1602 7.2635 7.2635 7.4608 7.4608 7.5477 7.5477 7.6995 7.6995 8.9644 8.9644 9.6926 9.6926 11.2434 11.2434 11.6119 11.6119 11.8871 11.8871 12.0916 12.0916 k = 0.0000 0.0887 0.2021 ( 6191 PWs) bands (ev): -53.8123 -53.8123 -53.8115 -53.8115 -28.1166 -28.1166 -28.1092 -28.1092 -20.4636 -20.4636 -20.4342 -20.4342 -20.3481 -20.3481 -20.3293 -20.3293 -7.1311 -7.1311 -7.0435 -7.0435 -4.8402 -4.8402 -3.6969 -3.6969 -2.5218 -2.5218 -2.4034 -2.4034 2.1526 2.1526 2.3286 2.3286 2.4928 2.4928 3.4206 3.4206 4.1431 4.1431 4.3837 4.3837 4.5213 4.5213 5.4938 5.4938 5.7882 5.7882 6.1745 6.1745 6.8668 6.8668 7.1166 7.1166 7.2217 7.2217 7.4548 7.4548 7.5335 7.5335 7.7087 7.7087 8.9846 8.9846 9.6958 9.6958 11.1783 11.1783 11.6264 11.6264 11.8340 11.8340 12.0086 12.0086 k = 0.0000 0.0998 0.2021 ( 6195 PWs) bands (ev): -53.8123 -53.8123 -53.8115 -53.8115 -28.1166 -28.1166 -28.1093 -28.1093 -20.4634 -20.4634 -20.4346 -20.4346 -20.3480 -20.3480 -20.3297 -20.3297 -7.1233 -7.1233 -7.0344 -7.0344 -4.8288 -4.8288 -3.7136 -3.7136 -2.5616 -2.5616 -2.4330 -2.4330 2.1519 2.1519 2.3970 2.3970 2.5567 2.5567 3.4716 3.4716 4.1272 4.1272 4.3883 4.3883 4.5252 4.5252 5.5015 5.5015 5.7926 5.7926 6.1753 6.1753 6.8216 6.8216 7.0717 7.0717 7.1792 7.1792 7.4474 7.4474 7.5212 7.5212 7.7160 7.7160 9.0070 9.0070 9.6988 9.6988 11.1081 11.1081 11.6359 11.6359 11.7794 11.7794 11.9014 11.9014 k = 0.0000 0.1109 0.2021 ( 6193 PWs) bands (ev): -53.8122 -53.8122 -53.8115 -53.8115 -28.1165 -28.1165 -28.1094 -28.1094 -20.4631 -20.4631 -20.4351 -20.4351 -20.3478 -20.3478 -20.3300 -20.3300 -7.1149 -7.1149 -7.0244 -7.0244 -4.8161 -4.8161 -3.7321 -3.7321 -2.6031 -2.6031 -2.4651 -2.4651 2.1522 2.1522 2.4711 2.4711 2.6256 2.6256 3.5278 3.5278 4.1091 4.1091 4.3933 4.3933 4.5295 4.5295 5.5102 5.5102 5.7976 5.7976 6.1748 6.1748 6.7677 6.7677 7.0258 7.0258 7.1383 7.1383 7.4387 7.4387 7.5111 7.5111 7.7210 7.7210 9.0316 9.0316 9.7013 9.7013 11.0325 11.0325 11.6252 11.6252 11.7331 11.7331 11.7871 11.7871 k = 0.0000 0.1220 0.2021 ( 6199 PWs) bands (ev): -53.8122 -53.8122 -53.8115 -53.8115 -28.1164 -28.1164 -28.1096 -28.1096 -20.4628 -20.4628 -20.4356 -20.4356 -20.3477 -20.3477 -20.3304 -20.3304 -7.1057 -7.1057 -7.0136 -7.0136 -4.8023 -4.8023 -3.7525 -3.7525 -2.6457 -2.6457 -2.4995 -2.4995 2.1541 2.1541 2.5504 2.5504 2.6989 2.6989 3.5891 3.5891 4.0887 4.0887 4.3987 4.3987 4.5340 4.5340 5.5198 5.5198 5.8033 5.8033 6.1728 6.1728 6.7051 6.7051 6.9792 6.9792 7.1006 7.1006 7.4290 7.4290 7.5031 7.5031 7.7235 7.7235 9.0579 9.0579 9.7033 9.7033 10.9505 10.9505 11.5765 11.5765 11.6371 11.6371 11.7479 11.7479 k = 0.0000 0.1331 0.2021 ( 6192 PWs) bands (ev): -53.8122 -53.8122 -53.8115 -53.8115 -28.1163 -28.1163 -28.1097 -28.1097 -20.4624 -20.4624 -20.4361 -20.4361 -20.3475 -20.3475 -20.3308 -20.3308 -7.0960 -7.0960 -7.0022 -7.0022 -4.7874 -4.7874 -3.7745 -3.7745 -2.6891 -2.6891 -2.5356 -2.5356 2.1579 2.1579 2.6339 2.6339 2.7755 2.7755 3.6553 3.6553 4.0660 4.0660 4.4045 4.4045 4.5387 4.5387 5.5304 5.5304 5.8098 5.8098 6.1687 6.1687 6.6348 6.6348 6.9320 6.9320 7.0668 7.0668 7.4187 7.4187 7.4966 7.4966 7.7236 7.7236 9.0860 9.0860 9.7047 9.7047 10.8615 10.8615 11.4869 11.4869 11.5228 11.5228 11.7603 11.7603 k = 0.0000 0.1442 0.2021 ( 6188 PWs) bands (ev): -53.8122 -53.8122 -53.8115 -53.8115 -28.1162 -28.1162 -28.1098 -28.1098 -20.4620 -20.4620 -20.4366 -20.4366 -20.3473 -20.3473 -20.3312 -20.3312 -7.0858 -7.0858 -6.9900 -6.9900 -4.7714 -4.7714 -3.7982 -3.7982 -2.7328 -2.7328 -2.5731 -2.5731 2.1638 2.1638 2.7209 2.7209 2.8549 2.8549 3.7266 3.7266 4.0411 4.0411 4.4105 4.4105 4.5437 4.5437 5.5418 5.5418 5.8169 5.8169 6.1622 6.1622 6.5586 6.5586 6.8845 6.8845 7.0367 7.0367 7.4082 7.4082 7.4915 7.4915 7.7213 7.7213 9.1153 9.1153 9.7055 9.7055 10.7651 10.7651 11.3504 11.3504 11.4426 11.4426 11.7800 11.7800 k = 0.0000 0.1553 0.2021 ( 6182 PWs) bands (ev): -53.8122 -53.8122 -53.8115 -53.8115 -28.1160 -28.1160 -28.1099 -28.1099 -20.4616 -20.4616 -20.4372 -20.4372 -20.3471 -20.3471 -20.3317 -20.3317 -7.0752 -7.0752 -6.9774 -6.9774 -4.7545 -4.7545 -3.8235 -3.8235 -2.7762 -2.7762 -2.6114 -2.6114 2.1722 2.1722 2.8104 2.8104 2.9364 2.9364 3.8027 3.8027 4.0141 4.0141 4.4168 4.4168 4.5487 4.5487 5.5542 5.5542 5.8249 5.8249 6.1528 6.1528 6.4782 6.4782 6.8369 6.8369 7.0097 7.0097 7.3979 7.3979 7.4872 7.4872 7.7167 7.7167 9.1457 9.1457 9.7055 9.7055 10.6610 10.6610 11.2063 11.2063 11.3661 11.3661 11.7787 11.7787 k = 0.0000 0.1664 0.2021 ( 6186 PWs) bands (ev): -53.8122 -53.8122 -53.8115 -53.8115 -28.1160 -28.1160 -28.1101 -28.1101 -20.4612 -20.4612 -20.4378 -20.4378 -20.3469 -20.3469 -20.3321 -20.3321 -7.0643 -7.0643 -6.9643 -6.9643 -4.7366 -4.7366 -3.8501 -3.8501 -2.8191 -2.8191 -2.6502 -2.6502 2.1832 2.1832 2.9012 2.9012 3.0193 3.0193 3.8828 3.8828 3.9858 3.9858 4.4233 4.4233 4.5539 4.5539 5.5673 5.5673 5.8337 5.8337 6.1396 6.1396 6.3961 6.3961 6.7895 6.7895 6.9852 6.9852 7.3880 7.3880 7.4838 7.4838 7.7099 7.7099 9.1768 9.1768 9.7048 9.7048 10.5496 10.5496 11.0610 11.0610 11.2914 11.2914 11.7147 11.7147 k = 0.0000 0.1775 0.2021 ( 6193 PWs) bands (ev): -53.8122 -53.8122 -53.8116 -53.8116 -28.1159 -28.1159 -28.1103 -28.1103 -20.4608 -20.4608 -20.4385 -20.4385 -20.3468 -20.3468 -20.3326 -20.3326 -7.0532 -7.0532 -6.9509 -6.9509 -4.7179 -4.7179 -3.8780 -3.8780 -2.8611 -2.8611 -2.6891 -2.6891 2.1969 2.1969 2.9923 2.9923 3.1031 3.1031 3.9443 3.9443 3.9794 3.9794 4.4300 4.4300 4.5591 4.5591 5.5811 5.5811 5.8432 5.8432 6.1215 6.1215 6.3148 6.3148 6.7424 6.7424 6.9626 6.9626 7.3786 7.3786 7.4810 7.4810 7.7013 7.7013 9.2081 9.2081 9.7034 9.7034 10.4320 10.4320 10.9163 10.9163 11.2195 11.2195 11.6459 11.6459 k = 0.0000 0.1886 0.2021 ( 6194 PWs) bands (ev): -53.8121 -53.8121 -53.8116 -53.8116 -28.1158 -28.1158 -28.1104 -28.1104 -20.4603 -20.4603 -20.4391 -20.4391 -20.3465 -20.3465 -20.3332 -20.3332 -7.0421 -7.0421 -6.9372 -6.9372 -4.6984 -4.6984 -3.9070 -3.9070 -2.9017 -2.9017 -2.7279 -2.7279 2.2135 2.2135 3.0825 3.0825 3.1869 3.1869 3.9188 3.9188 4.0633 4.0633 4.4367 4.4367 4.5642 4.5642 5.5955 5.5955 5.8535 5.8535 6.0956 6.0956 6.2385 6.2385 6.6959 6.6959 6.9413 6.9413 7.3699 7.3699 7.4789 7.4789 7.6909 7.6909 9.2392 9.2392 9.7013 9.7013 10.3095 10.3095 10.7736 10.7736 11.1513 11.1513 11.5794 11.5794 k = 0.0000 0.1996 0.2021 ( 6200 PWs) bands (ev): -53.8121 -53.8121 -53.8116 -53.8116 -28.1157 -28.1157 -28.1106 -28.1106 -20.4598 -20.4598 -20.4398 -20.4398 -20.3463 -20.3463 -20.3337 -20.3337 -7.0309 -7.0309 -6.9234 -6.9234 -4.6782 -4.6782 -3.9369 -3.9369 -2.9407 -2.9407 -2.7660 -2.7660 2.2330 2.2330 3.1707 3.1707 3.2694 3.2694 3.8874 3.8874 4.1573 4.1573 4.4435 4.4435 4.5693 4.5693 5.6100 5.6100 5.8644 5.8644 6.0569 6.0569 6.1739 6.1739 6.6499 6.6499 6.9206 6.9206 7.3618 7.3618 7.4773 7.4773 7.6791 7.6791 9.2694 9.2694 9.6985 9.6985 10.1838 10.1838 10.6341 10.6341 11.0875 11.0875 11.5160 11.5160 k = 0.0000 0.2107 0.2021 ( 6198 PWs) bands (ev): -53.8121 -53.8121 -53.8116 -53.8116 -28.1156 -28.1156 -28.1108 -28.1108 -20.4593 -20.4593 -20.4405 -20.4405 -20.3461 -20.3461 -20.3342 -20.3342 -7.0200 -7.0200 -6.9097 -6.9097 -4.6573 -4.6573 -3.9676 -3.9676 -2.9779 -2.9779 -2.8034 -2.8034 2.2554 2.2554 3.2563 3.2563 3.3478 3.3478 3.8579 3.8579 4.2555 4.2555 4.4502 4.4502 4.5742 4.5742 5.6243 5.6243 5.8752 5.8752 6.0028 6.0028 6.1259 6.1259 6.6047 6.6047 6.9002 6.9002 7.3544 7.3544 7.4763 7.4763 7.6660 7.6660 9.2981 9.2981 9.6951 9.6951 10.0568 10.0568 10.4990 10.4990 11.0289 11.0289 11.4558 11.4558 k = 0.0000 0.2218 0.2021 ( 6192 PWs) bands (ev): -53.8121 -53.8121 -53.8116 -53.8116 -28.1154 -28.1154 -28.1110 -28.1110 -20.4587 -20.4587 -20.4413 -20.4413 -20.3458 -20.3458 -20.3348 -20.3348 -7.0093 -7.0093 -6.8961 -6.8961 -4.6359 -4.6359 -3.9988 -3.9988 -3.0128 -3.0128 -2.8395 -2.8395 2.2807 2.2807 3.3389 3.3389 3.4173 3.4173 3.8348 3.8348 4.3567 4.3567 4.4568 4.4568 4.5790 4.5790 5.6371 5.6371 5.8819 5.8819 5.9443 5.9443 6.0893 6.0893 6.5602 6.5602 6.8796 6.8796 7.3474 7.3474 7.4759 7.4759 7.6519 7.6519 9.3242 9.3242 9.6912 9.6912 9.9308 9.9308 10.3695 10.3695 10.9759 10.9759 11.3986 11.3986 k = 0.0000 0.2329 0.2021 ( 6202 PWs) bands (ev): -53.8121 -53.8121 -53.8116 -53.8116 -28.1153 -28.1153 -28.1112 -28.1112 -20.4582 -20.4582 -20.4420 -20.4420 -20.3455 -20.3455 -20.3353 -20.3353 -6.9990 -6.9990 -6.8827 -6.8827 -4.6139 -4.6139 -4.0304 -4.0304 -3.0454 -3.0454 -2.8743 -2.8743 2.3088 2.3088 3.4182 3.4182 3.4693 3.4693 3.8256 3.8256 4.4586 4.4586 4.4647 4.4647 4.5837 4.5837 5.6461 5.6461 5.8581 5.8581 5.9183 5.9183 6.0573 6.0573 6.5167 6.5167 6.8585 6.8585 7.3406 7.3406 7.4761 7.4761 7.6370 7.6370 9.3466 9.3466 9.6868 9.6868 9.8078 9.8078 10.2469 10.2469 10.9293 10.9293 11.3441 11.3441 k = 0.0000 0.2440 0.2021 ( 6203 PWs) bands (ev): -53.8121 -53.8121 -53.8117 -53.8117 -28.1151 -28.1151 -28.1114 -28.1114 -20.4576 -20.4576 -20.4428 -20.4428 -20.3452 -20.3452 -20.3359 -20.3359 -6.9893 -6.9893 -6.8697 -6.8697 -4.5914 -4.5914 -4.0623 -4.0623 -3.0755 -3.0755 -2.9072 -2.9072 2.3396 2.3396 3.4882 3.4882 3.5004 3.5004 3.8387 3.8387 4.4693 4.4693 4.5639 4.5639 4.5892 4.5892 5.6459 5.6459 5.8123 5.8123 5.9252 5.9252 6.0271 6.0271 6.4742 6.4742 6.8366 6.8366 7.3340 7.3340 7.4769 7.4769 7.6216 7.6216 9.3635 9.3635 9.6811 9.6811 9.6915 9.6915 10.1329 10.1329 10.8894 10.8894 11.2921 11.2921 k = 0.0000 0.2551 0.2021 ( 6194 PWs) bands (ev): -53.8120 -53.8120 -53.8117 -53.8117 -28.1149 -28.1149 -28.1116 -28.1116 -20.4569 -20.4569 -20.4436 -20.4436 -20.3448 -20.3448 -20.3364 -20.3364 -6.9803 -6.9803 -6.8573 -6.8573 -4.5684 -4.5684 -4.0941 -4.0941 -3.1030 -3.1030 -2.9380 -2.9380 2.3729 2.3729 3.4874 3.4874 3.5702 3.5702 3.8746 3.8746 4.4752 4.4752 4.5911 4.5911 4.6711 4.6711 5.6278 5.6278 5.7837 5.7837 5.9333 5.9333 6.0008 6.0008 6.4327 6.4327 6.8139 6.8139 7.3271 7.3271 7.4785 7.4785 7.6059 7.6059 9.3717 9.3717 9.5826 9.5826 9.6773 9.6773 10.0291 10.0291 10.8568 10.8568 11.2424 11.2424 k = 0.0000 0.2662 0.2021 ( 6195 PWs) bands (ev): -53.8120 -53.8120 -53.8117 -53.8117 -28.1147 -28.1147 -28.1118 -28.1118 -20.4563 -20.4563 -20.4444 -20.4444 -20.3444 -20.3444 -20.3370 -20.3370 -6.9721 -6.9721 -6.8455 -6.8455 -4.5450 -4.5450 -4.1258 -4.1258 -3.1277 -3.1277 -2.9665 -2.9665 2.4085 2.4085 3.4612 3.4612 3.6414 3.6414 3.9238 3.9238 4.4807 4.4807 4.5949 4.5949 4.7750 4.7750 5.5917 5.5917 5.7775 5.7775 5.9276 5.9276 5.9892 5.9892 6.3923 6.3923 6.7905 6.7905 7.3199 7.3199 7.4809 7.4809 7.5900 7.5900 9.3627 9.3627 9.4933 9.4933 9.6721 9.6721 9.9375 9.9375 10.8318 10.8318 11.1947 11.1947 k = 0.0000 0.2773 0.2021 ( 6195 PWs) bands (ev): -53.8120 -53.8120 -53.8117 -53.8117 -28.1146 -28.1146 -28.1120 -28.1120 -20.4556 -20.4556 -20.4452 -20.4452 -20.3441 -20.3441 -20.3375 -20.3375 -6.9649 -6.9649 -6.8344 -6.8344 -4.5213 -4.5213 -4.1572 -4.1572 -3.1498 -3.1498 -2.9921 -2.9921 2.4462 2.4462 3.4224 3.4224 3.7103 3.7103 3.9759 3.9759 4.4858 4.4858 4.5981 4.5981 4.8767 4.8767 5.5485 5.5485 5.7842 5.7842 5.9021 5.9021 5.9977 5.9977 6.3530 6.3530 6.7668 6.7668 7.3122 7.3122 7.4840 7.4840 7.5743 7.5743 9.3204 9.3204 9.4389 9.4389 9.6670 9.6670 9.8602 9.8602 10.8146 10.8146 11.1490 11.1490 k = 0.0000 0.2884 0.2021 ( 6201 PWs) bands (ev): -53.8120 -53.8120 -53.8117 -53.8117 -28.1144 -28.1144 -28.1122 -28.1122 -20.4549 -20.4549 -20.4460 -20.4460 -20.3437 -20.3437 -20.3381 -20.3381 -6.9587 -6.9587 -6.8242 -6.8242 -4.4971 -4.4971 -4.1882 -4.1882 -3.1692 -3.1692 -3.0147 -3.0147 2.4855 2.4855 3.3768 3.3768 3.7765 3.7765 4.0237 4.0237 4.4903 4.4903 4.6010 4.6010 4.9744 4.9744 5.5062 5.5062 5.7958 5.7958 5.8688 5.8688 6.0148 6.0148 6.3150 6.3150 6.7434 6.7434 7.3039 7.3039 7.4880 7.4880 7.5589 7.5589 9.2539 9.2539 9.4109 9.4109 9.6621 9.6621 9.7987 9.7987 10.8050 10.8050 11.1054 11.1054 k = 0.0000 0.2995 0.2021 ( 6204 PWs) bands (ev): -53.8120 -53.8120 -53.8118 -53.8118 -28.1143 -28.1143 -28.1124 -28.1124 -20.4542 -20.4542 -20.4468 -20.4468 -20.3433 -20.3433 -20.3387 -20.3387 -6.9537 -6.9537 -6.8150 -6.8150 -4.4725 -4.4725 -4.2187 -4.2187 -3.1860 -3.1860 -3.0337 -3.0337 2.5259 2.5259 3.3276 3.3276 3.8397 3.8397 4.0631 4.0631 4.4943 4.4943 4.6033 4.6033 5.0664 5.0664 5.4682 5.4682 5.8045 5.8045 5.8379 5.8379 6.0353 6.0353 6.2783 6.2783 6.7215 6.7215 7.2953 7.2953 7.4927 7.4927 7.5441 7.5441 9.1882 9.1882 9.3868 9.3868 9.6574 9.6574 9.7530 9.7530 10.8028 10.8028 11.0641 11.0641 k = 0.0000 0.3106 0.2021 ( 6197 PWs) bands (ev): -53.8119 -53.8119 -53.8118 -53.8118 -28.1140 -28.1140 -28.1126 -28.1126 -20.4535 -20.4535 -20.4476 -20.4476 -20.3429 -20.3429 -20.3392 -20.3392 -6.9499 -6.9499 -6.8069 -6.8069 -4.4475 -4.4475 -4.2487 -4.2487 -3.2005 -3.2005 -3.0488 -3.0488 2.5667 2.5667 3.2770 3.2770 3.8996 3.8996 4.0915 4.0915 4.4976 4.4976 4.6053 4.6053 5.1507 5.1507 5.4350 5.4350 5.7824 5.7824 5.8378 5.8378 6.0579 6.0579 6.2429 6.2429 6.7024 6.7024 7.2866 7.2866 7.4979 7.4979 7.5304 7.5304 9.1325 9.1325 9.3616 9.3616 9.6529 9.6529 9.7210 9.7210 10.8075 10.8075 11.0253 11.0253 k = 0.0000 0.3217 0.2021 ( 6194 PWs) bands (ev): -53.8119 -53.8119 -53.8118 -53.8118 -28.1138 -28.1138 -28.1127 -28.1127 -20.4528 -20.4528 -20.4484 -20.4484 -20.3424 -20.3424 -20.3397 -20.3397 -6.9474 -6.9474 -6.8000 -6.8000 -4.4221 -4.4221 -4.2779 -4.2779 -3.2125 -3.2125 -3.0598 -3.0598 2.6071 2.6071 3.2267 3.2267 3.9554 3.9554 4.1077 4.1077 4.5002 4.5002 4.6069 4.6069 5.2250 5.2250 5.4057 5.4057 5.7443 5.7443 5.8549 5.8549 6.0822 6.0822 6.2090 6.2090 6.6874 6.6874 7.2786 7.2786 7.5014 7.5014 7.5201 7.5201 9.0897 9.0897 9.3374 9.3374 9.6487 9.6487 9.6994 9.6994 10.8179 10.8179 10.9898 10.9898 k = 0.0000 0.3327 0.2021 ( 6196 PWs) bands (ev): -53.8119 -53.8119 -53.8118 -53.8118 -28.1137 -28.1137 -28.1129 -28.1129 -20.4520 -20.4520 -20.4491 -20.4491 -20.3420 -20.3420 -20.3402 -20.3402 -6.9464 -6.9464 -6.7943 -6.7943 -4.3964 -4.3964 -4.3064 -4.3064 -3.2222 -3.2222 -3.0665 -3.0665 2.6457 2.6457 3.1786 3.1786 4.0062 4.0062 4.1115 4.1115 4.5021 4.5021 4.6080 4.6080 5.2871 5.2871 5.3781 5.3781 5.7053 5.7053 5.8760 5.8760 6.1078 6.1078 6.1769 6.1769 6.6781 6.6781 7.2717 7.2717 7.4964 7.4964 7.5203 7.5203 9.0611 9.0611 9.3178 9.3178 9.6447 9.6447 9.6850 9.6850 10.8322 10.8322 10.9591 10.9591 k = 0.0000 0.3327 0.2021 ( 6196 PWs) bands (ev): -53.8119 -53.8119 -53.8118 -53.8118 -28.1137 -28.1137 -28.1129 -28.1129 -20.4520 -20.4520 -20.4491 -20.4491 -20.3420 -20.3420 -20.3402 -20.3402 -6.9464 -6.9464 -6.7943 -6.7943 -4.3964 -4.3964 -4.3064 -4.3064 -3.2222 -3.2222 -3.0665 -3.0665 2.6457 2.6457 3.1786 3.1786 4.0062 4.0062 4.1115 4.1115 4.5021 4.5021 4.6080 4.6080 5.2871 5.2871 5.3781 5.3781 5.7053 5.7053 5.8760 5.8760 6.1078 6.1078 6.1769 6.1769 6.6781 6.6781 7.2717 7.2717 7.4964 7.4964 7.5203 7.5203 9.0611 9.0611 9.3178 9.3178 9.6447 9.6447 9.6850 9.6850 10.8322 10.8322 10.9591 10.9591 k = 0.0000 0.3368 0.1930 ( 6195 PWs) bands (ev): -53.8119 -53.8119 -53.8118 -53.8118 -28.1136 -28.1136 -28.1130 -28.1130 -20.4518 -20.4518 -20.4494 -20.4494 -20.3418 -20.3418 -20.3404 -20.3404 -6.9467 -6.9467 -6.7920 -6.7920 -4.3888 -4.3888 -4.3165 -4.3165 -3.2255 -3.2255 -3.0652 -3.0652 2.6587 2.6587 3.1495 3.1495 4.0243 4.0243 4.1109 4.1109 4.5022 4.5022 4.6078 4.6078 5.3011 5.3011 5.3789 5.3789 5.7200 5.7200 5.8899 5.8899 6.1182 6.1182 6.1711 6.1711 6.6657 6.6657 7.2441 7.2441 7.4909 7.4909 7.5168 7.5168 9.0539 9.0539 9.3155 9.3155 9.6452 9.6452 9.6776 9.6776 10.8389 10.8389 10.9521 10.9521 k = 0.0000 0.3408 0.1839 ( 6193 PWs) bands (ev): -53.8119 -53.8119 -53.8118 -53.8118 -28.1136 -28.1136 -28.1130 -28.1130 -20.4515 -20.4515 -20.4496 -20.4496 -20.3417 -20.3417 -20.3405 -20.3405 -6.9470 -6.9470 -6.7901 -6.7901 -4.3811 -4.3811 -4.3260 -4.3260 -3.2280 -3.2280 -3.0641 -3.0641 2.6707 2.6707 3.1246 3.1246 4.0413 4.0413 4.1077 4.1077 4.5024 4.5024 4.6076 4.6076 5.3124 5.3124 5.3796 5.3796 5.7325 5.7325 5.8995 5.8995 6.1272 6.1272 6.1656 6.1656 6.6586 6.6586 7.2201 7.2201 7.4865 7.4865 7.5141 7.5141 9.0484 9.0484 9.3137 9.3137 9.6465 9.6465 9.6708 9.6708 10.8446 10.8446 10.9463 10.9463 k = 0.0000 0.3449 0.1747 ( 6192 PWs) bands (ev): -53.8119 -53.8119 -53.8118 -53.8118 -28.1135 -28.1135 -28.1131 -28.1131 -20.4513 -20.4513 -20.4499 -20.4499 -20.3415 -20.3415 -20.3407 -20.3407 -6.9473 -6.9473 -6.7887 -6.7887 -4.3735 -4.3735 -4.3351 -4.3351 -3.2298 -3.2298 -3.0633 -3.0633 2.6805 2.6805 3.1053 3.1053 4.0570 4.0570 4.1021 4.1021 4.5025 4.5025 4.6075 4.6075 5.3208 5.3208 5.3801 5.3801 5.7423 5.7423 5.9053 5.9053 6.1349 6.1349 6.1601 6.1601 6.6555 6.6555 7.2012 7.2012 7.4834 7.4834 7.5122 7.5122 9.0444 9.0444 9.3124 9.3124 9.6485 9.6485 9.6648 9.6648 10.8489 10.8489 10.9420 10.9420 k = 0.0000 0.3490 0.1656 ( 6192 PWs) bands (ev): -53.8119 -53.8119 -53.8118 -53.8118 -28.1134 -28.1134 -28.1132 -28.1132 -20.4511 -20.4511 -20.4501 -20.4501 -20.3413 -20.3413 -20.3409 -20.3409 -6.9475 -6.9475 -6.7878 -6.7878 -4.3664 -4.3664 -4.3430 -4.3430 -3.2308 -3.2308 -3.0628 -3.0628 2.6870 2.6870 3.0931 3.0931 4.0710 4.0710 4.0943 4.0943 4.5025 4.5025 4.6074 4.6074 5.3260 5.3260 5.3804 5.3804 5.7486 5.7486 5.9081 5.9081 6.1414 6.1414 6.1549 6.1549 6.6545 6.6545 7.1891 7.1891 7.4815 7.4815 7.5110 7.5110 9.0420 9.0420 9.3117 9.3117 9.6511 9.6511 9.6597 9.6597 10.8517 10.8517 10.9393 10.9393 k = 0.0000 0.3530 0.1564 ( 6194 PWs) bands (ev): -53.8119 -53.8119 -53.8118 -53.8118 -28.1133 -28.1133 -28.1133 -28.1133 -20.4510 -20.4510 -20.4502 -20.4502 -20.3412 -20.3412 -20.3410 -20.3410 -6.9476 -6.9476 -6.7875 -6.7875 -4.3626 -4.3626 -4.3471 -4.3471 -3.2312 -3.2312 -3.0626 -3.0626 2.6893 2.6893 3.0889 3.0889 4.0807 4.0807 4.0866 4.0866 4.5025 4.5025 4.6074 4.6074 5.3278 5.3278 5.3804 5.3804 5.7508 5.7508 5.9090 5.9090 6.1453 6.1453 6.1513 6.1513 6.6544 6.6544 7.1849 7.1849 7.4808 7.4808 7.5106 7.5106 9.0412 9.0412 9.3115 9.3115 9.6536 9.6536 9.6565 9.6565 10.8526 10.8526 10.9384 10.9384 k = 0.0000 0.3530 0.1564 ( 6194 PWs) bands (ev): -53.8119 -53.8119 -53.8118 -53.8118 -28.1133 -28.1133 -28.1133 -28.1133 -20.4510 -20.4510 -20.4502 -20.4502 -20.3412 -20.3412 -20.3410 -20.3410 -6.9476 -6.9476 -6.7875 -6.7875 -4.3626 -4.3626 -4.3471 -4.3471 -3.2312 -3.2312 -3.0626 -3.0626 2.6893 2.6893 3.0889 3.0889 4.0807 4.0807 4.0866 4.0866 4.5025 4.5025 4.6074 4.6074 5.3278 5.3278 5.3804 5.3804 5.7508 5.7508 5.9090 5.9090 6.1453 6.1453 6.1513 6.1513 6.6544 6.6544 7.1849 7.1849 7.4808 7.4808 7.5106 7.5106 9.0412 9.0412 9.3115 9.3115 9.6536 9.6536 9.6565 9.6565 10.8526 10.8526 10.9384 10.9384 k = 0.0114 0.3530 0.1564 ( 6192 PWs) bands (ev): -53.8119 -53.8119 -53.8118 -53.8118 -28.1134 -28.1134 -28.1132 -28.1132 -20.4512 -20.4512 -20.4501 -20.4501 -20.3413 -20.3413 -20.3411 -20.3411 -6.9470 -6.9470 -6.7870 -6.7870 -4.3623 -4.3623 -4.3466 -4.3466 -3.2309 -3.2309 -3.0625 -3.0625 2.6907 2.6907 3.0899 3.0899 4.0807 4.0807 4.0863 4.0863 4.5008 4.5008 4.6052 4.6052 5.3235 5.3235 5.3773 5.3773 5.7507 5.7507 5.9080 5.9080 6.1423 6.1423 6.1529 6.1529 6.6559 6.6559 7.1856 7.1856 7.4765 7.4765 7.5080 7.5080 9.0419 9.0419 9.3124 9.3124 9.6581 9.6581 9.6607 9.6607 10.8550 10.8550 10.9408 10.9408 k = 0.0227 0.3530 0.1564 ( 6198 PWs) bands (ev): -53.8118 -53.8118 -53.8118 -53.8118 -28.1136 -28.1136 -28.1132 -28.1132 -20.4516 -20.4516 -20.4498 -20.4498 -20.3417 -20.3417 -20.3414 -20.3414 -6.9455 -6.9455 -6.7854 -6.7854 -4.3614 -4.3614 -4.3449 -4.3449 -3.2301 -3.2301 -3.0619 -3.0619 2.6949 2.6949 3.0930 3.0930 4.0804 4.0804 4.0859 4.0859 4.4957 4.4957 4.5986 4.5986 5.3107 5.3107 5.3676 5.3676 5.7502 5.7502 5.9052 5.9052 6.1365 6.1365 6.1546 6.1546 6.6602 6.6602 7.1875 7.1875 7.4639 7.4639 7.5002 7.5002 9.0440 9.0440 9.3150 9.3150 9.6715 9.6715 9.6733 9.6733 10.8619 10.8619 10.9479 10.9479 k = 0.0341 0.3530 0.1564 ( 6196 PWs) bands (ev): -53.8118 -53.8118 -53.8118 -53.8118 -28.1138 -28.1138 -28.1132 -28.1132 -20.4521 -20.4521 -20.4496 -20.4496 -20.3422 -20.3422 -20.3419 -20.3419 -6.9429 -6.9429 -6.7827 -6.7827 -4.3599 -4.3599 -4.3422 -4.3422 -3.2287 -3.2287 -3.0610 -3.0610 2.7020 2.7020 3.0982 3.0982 4.0789 4.0789 4.0861 4.0861 4.4873 4.4873 4.5880 4.5880 5.2898 5.2898 5.3512 5.3512 5.7493 5.7493 5.9006 5.9006 6.1301 6.1301 6.1548 6.1548 6.6666 6.6666 7.1903 7.1903 7.4442 7.4442 7.4871 7.4871 9.0474 9.0474 9.3190 9.3190 9.6932 9.6932 9.6943 9.6943 10.8733 10.8733 10.9597 10.9597 k = 0.0455 0.3530 0.1564 ( 6186 PWs) bands (ev): -53.8118 -53.8118 -53.8118 -53.8118 -28.1141 -28.1141 -28.1133 -28.1133 -20.4527 -20.4527 -20.4494 -20.4494 -20.3429 -20.3429 -20.3426 -20.3426 -6.9394 -6.9394 -6.7791 -6.7791 -4.3577 -4.3577 -4.3384 -4.3384 -3.2267 -3.2267 -3.0598 -3.0598 2.7118 2.7118 3.1053 3.1053 4.0755 4.0755 4.0871 4.0871 4.4759 4.4759 4.5740 4.5740 5.2614 5.2614 5.3277 5.3277 5.7476 5.7476 5.8944 5.8944 6.1239 6.1239 6.1536 6.1536 6.6741 6.6741 7.1935 7.1935 7.4189 7.4189 7.4693 7.4693 9.0517 9.0517 9.3239 9.3239 9.7216 9.7216 9.7245 9.7245 10.8887 10.8887 10.9757 10.9757 k = 0.0568 0.3530 0.1564 ( 6186 PWs) bands (ev): -53.8117 -53.8117 -53.8117 -53.8117 -28.1144 -28.1144 -28.1134 -28.1134 -20.4534 -20.4534 -20.4492 -20.4492 -20.3437 -20.3437 -20.3435 -20.3435 -6.9348 -6.9348 -6.7744 -6.7744 -4.3548 -4.3548 -4.3337 -4.3337 -3.2242 -3.2242 -3.0582 -3.0582 2.7245 2.7245 3.1143 3.1143 4.0701 4.0701 4.0888 4.0888 4.4619 4.4619 4.5571 4.5571 5.2261 5.2261 5.2972 5.2972 5.7447 5.7447 5.8866 5.8866 6.1184 6.1184 6.1509 6.1509 6.6817 6.6817 7.1962 7.1962 7.3896 7.3896 7.4476 7.4476 9.0568 9.0568 9.3293 9.3293 9.7568 9.7568 9.7627 9.7627 10.9076 10.9076 10.9957 10.9957 k = 0.0682 0.3530 0.1564 ( 6184 PWs) bands (ev): -53.8117 -53.8117 -53.8117 -53.8117 -28.1148 -28.1148 -28.1136 -28.1136 -20.4541 -20.4541 -20.4492 -20.4492 -20.3448 -20.3448 -20.3445 -20.3445 -6.9292 -6.9292 -6.7688 -6.7688 -4.3511 -4.3511 -4.3280 -4.3280 -3.2212 -3.2212 -3.0563 -3.0563 2.7398 2.7398 3.1250 3.1250 4.0624 4.0624 4.0906 4.0906 4.4456 4.4456 4.5382 4.5382 5.1846 5.1846 5.2603 5.2603 5.7402 5.7402 5.8771 5.8771 6.1139 6.1139 6.1470 6.1470 6.6885 6.6885 7.1973 7.1973 7.3581 7.3581 7.4231 7.4231 9.0624 9.0624 9.3348 9.3348 9.7984 9.7984 9.8078 9.8078 10.9293 10.9293 11.0191 11.0191 k = 0.0795 0.3530 0.1564 ( 6174 PWs) bands (ev): -53.8116 -53.8116 -53.8116 -53.8116 -28.1151 -28.1151 -28.1138 -28.1138 -20.4549 -20.4549 -20.4492 -20.4492 -20.3459 -20.3459 -20.3457 -20.3457 -6.9228 -6.9228 -6.7622 -6.7622 -4.3467 -4.3467 -4.3215 -4.3215 -3.2176 -3.2176 -3.0540 -3.0540 2.7577 2.7577 3.1371 3.1371 4.0522 4.0522 4.0923 4.0923 4.4277 4.4277 4.5179 4.5179 5.1378 5.1378 5.2177 5.2177 5.7337 5.7337 5.8656 5.8656 6.1103 6.1103 6.1418 6.1418 6.6939 6.6939 7.1953 7.1953 7.3266 7.3266 7.3968 7.3968 9.0682 9.0682 9.3402 9.3402 9.8457 9.8457 9.8588 9.8588 10.9532 10.9532 11.0455 11.0455 k = 0.0909 0.3530 0.1564 ( 6178 PWs) bands (ev): -53.8115 -53.8115 -53.8115 -53.8115 -28.1156 -28.1156 -28.1141 -28.1141 -20.4559 -20.4559 -20.4493 -20.4493 -20.3473 -20.3473 -20.3471 -20.3471 -6.9154 -6.9154 -6.7548 -6.7548 -4.3414 -4.3414 -4.3140 -4.3140 -3.2135 -3.2135 -3.0515 -3.0515 2.7782 2.7782 3.1505 3.1505 4.0387 4.0387 4.0937 4.0937 4.4086 4.4086 4.4970 4.4970 5.0867 5.0867 5.1707 5.1707 5.7246 5.7246 5.8518 5.8518 6.1068 6.1068 6.1358 6.1358 6.6975 6.6975 7.1879 7.1879 7.2982 7.2982 7.3697 7.3697 9.0743 9.0743 9.3455 9.3455 9.8977 9.8977 9.9148 9.9148 10.9786 10.9786 11.0740 11.0740 k = 0.1023 0.3530 0.1564 ( 6180 PWs) bands (ev): -53.8115 -53.8115 -53.8115 -53.8115 -28.1161 -28.1161 -28.1144 -28.1144 -20.4570 -20.4570 -20.4496 -20.4496 -20.3487 -20.3487 -20.3485 -20.3485 -6.9071 -6.9071 -6.7466 -6.7466 -4.3354 -4.3354 -4.3058 -4.3058 -3.2089 -3.2089 -3.0487 -3.0487 2.8011 2.8011 3.1649 3.1649 4.0216 4.0216 4.0943 4.0943 4.3890 4.3890 4.4760 4.4760 5.0323 5.0323 5.1204 5.1204 5.7127 5.7127 5.8351 5.8351 6.1021 6.1021 6.1300 6.1300 6.6993 6.6993 7.1727 7.1727 7.2757 7.2757 7.3425 7.3425 9.0804 9.0804 9.3503 9.3503 9.9539 9.9539 9.9746 9.9746 11.0046 11.0046 11.1040 11.1040 k = 0.1136 0.3530 0.1564 ( 6174 PWs) bands (ev): -53.8114 -53.8114 -53.8114 -53.8114 -28.1166 -28.1166 -28.1148 -28.1148 -20.4582 -20.4582 -20.4499 -20.4499 -20.3503 -20.3503 -20.3499 -20.3499 -6.8980 -6.8980 -6.7376 -6.7376 -4.3284 -4.3284 -4.2967 -4.2967 -3.2039 -3.2039 -3.0456 -3.0456 2.8264 2.8264 3.1798 3.1798 4.0004 4.0004 4.0939 4.0939 4.3694 4.3694 4.4553 4.4553 4.9760 4.9760 5.0685 5.0685 5.6973 5.6973 5.8149 5.8149 6.0946 6.0946 6.1258 6.1258 6.6996 6.6996 7.1496 7.1496 7.2597 7.2597 7.3158 7.3158 9.0864 9.0864 9.3549 9.3549 10.0134 10.0134 10.0373 10.0373 11.0307 11.0307 11.1347 11.1347 k = 0.1250 0.3530 0.1564 ( 6184 PWs) bands (ev): -53.8113 -53.8113 -53.8113 -53.8113 -28.1172 -28.1172 -28.1153 -28.1153 -20.4595 -20.4595 -20.4505 -20.4505 -20.3520 -20.3520 -20.3514 -20.3514 -6.8881 -6.8881 -6.7279 -6.7279 -4.3207 -4.3207 -4.2868 -4.2868 -3.1983 -3.1983 -3.0422 -3.0422 2.8538 2.8538 3.1948 3.1948 3.9747 3.9747 4.0921 4.0921 4.3501 4.3501 4.4351 4.4351 4.9191 4.9191 5.0165 5.0165 5.6781 5.6781 5.7907 5.7907 6.0839 6.0839 6.1233 6.1233 6.6987 6.6987 7.1212 7.1212 7.2477 7.2477 7.2899 7.2899 9.0925 9.0925 9.3591 9.3591 10.0755 10.0755 10.1022 10.1022 11.0561 11.0561 11.1653 11.1653 k = 0.1364 0.3530 0.1564 ( 6182 PWs) bands (ev): -53.8112 -53.8112 -53.8112 -53.8112 -28.1178 -28.1178 -28.1157 -28.1157 -20.4610 -20.4610 -20.4511 -20.4511 -20.3537 -20.3537 -20.3529 -20.3529 -6.8774 -6.8774 -6.7176 -6.7176 -4.3121 -4.3121 -4.2761 -4.2761 -3.1924 -3.1924 -3.0387 -3.0387 2.8833 2.8833 3.2091 3.2091 3.9444 3.9444 4.0887 4.0887 4.3312 4.3312 4.4155 4.4155 4.8632 4.8632 4.9660 4.9660 5.6548 5.6548 5.7619 5.7619 6.0710 6.0710 6.1218 6.1218 6.6972 6.6972 7.0907 7.0907 7.2359 7.2359 7.2657 7.2657 9.0985 9.0985 9.3630 9.3630 10.1394 10.1394 10.1684 10.1684 11.0805 11.0805 11.1949 11.1949 k = 0.1477 0.3530 0.1564 ( 6192 PWs) bands (ev): -53.8111 -53.8111 -53.8111 -53.8111 -28.1185 -28.1185 -28.1163 -28.1163 -20.4627 -20.4627 -20.4520 -20.4520 -20.3554 -20.3554 -20.3543 -20.3543 -6.8661 -6.8661 -6.7068 -6.7068 -4.3027 -4.3027 -4.2646 -4.2646 -3.1861 -3.1861 -3.0349 -3.0349 2.9146 2.9146 3.2222 3.2222 3.9094 3.9094 4.0838 4.0838 4.3124 4.3124 4.3961 4.3961 4.8099 4.8099 4.9185 4.9185 5.6269 5.6269 5.7280 5.7280 6.0572 6.0572 6.1203 6.1203 6.6953 6.6953 7.0599 7.0599 7.2205 7.2205 7.2450 7.2450 9.1044 9.1044 9.3666 9.3666 10.2045 10.2045 10.2353 10.2353 11.1035 11.1035 11.2226 11.2226 k = 0.1591 0.3530 0.1564 ( 6194 PWs) bands (ev): -53.8110 -53.8110 -53.8109 -53.8109 -28.1191 -28.1191 -28.1168 -28.1168 -20.4645 -20.4645 -20.4531 -20.4531 -20.3571 -20.3571 -20.3558 -20.3558 -6.8541 -6.8541 -6.6955 -6.6955 -4.2924 -4.2924 -4.2524 -4.2524 -3.1794 -3.1794 -3.0310 -3.0310 2.9473 2.9473 3.2330 3.2330 3.8701 3.8701 4.0774 4.0774 4.2933 4.2933 4.3768 4.3768 4.7610 4.7610 4.8757 4.8757 5.5946 5.5946 5.6888 5.6888 6.0435 6.0435 6.1184 6.1184 6.6934 6.6934 7.0295 7.0295 7.1988 7.1988 7.2292 7.2292 9.1104 9.1104 9.3701 9.3701 10.2702 10.2702 10.3022 10.3022 11.1250 11.1250 11.2478 11.2478 k = 0.1705 0.3530 0.1564 ( 6186 PWs) bands (ev): -53.8108 -53.8108 -53.8108 -53.8108 -28.1198 -28.1198 -28.1173 -28.1173 -20.4664 -20.4664 -20.4543 -20.4543 -20.3587 -20.3587 -20.3571 -20.3571 -6.8416 -6.8416 -6.6838 -6.6838 -4.2813 -4.2813 -4.2395 -4.2395 -3.1723 -3.1723 -3.0269 -3.0269 2.9813 2.9813 3.2406 3.2406 3.8268 3.8268 4.0704 4.0704 4.2730 4.2730 4.3572 4.3572 4.7179 4.7179 4.8388 4.8388 5.5578 5.5578 5.6446 5.6446 6.0303 6.0303 6.1159 6.1159 6.6916 6.6916 6.9998 6.9998 7.1730 7.1730 7.2155 7.2155 9.1164 9.1164 9.3735 9.3735 10.3360 10.3360 10.3687 10.3687 11.1449 11.1449 11.2702 11.2702 k = 0.1818 0.3530 0.1564 ( 6184 PWs) bands (ev): -53.8107 -53.8107 -53.8107 -53.8107 -28.1204 -28.1204 -28.1179 -28.1179 -20.4685 -20.4685 -20.4558 -20.4558 -20.3602 -20.3602 -20.3583 -20.3583 -6.8285 -6.8285 -6.6719 -6.6719 -4.2694 -4.2694 -4.2259 -4.2259 -3.1649 -3.1649 -3.0228 -3.0228 3.0159 3.0159 3.2436 3.2436 3.7800 3.7800 4.0637 4.0637 4.2511 4.2511 4.3371 4.3371 4.6820 4.6820 4.8086 4.8086 5.5168 5.5168 5.5957 5.5957 6.0179 6.0179 6.1126 6.1126 6.6898 6.6898 6.9706 6.9706 7.1450 7.1450 7.2017 7.2017 9.1226 9.1226 9.3768 9.3768 10.4012 10.4012 10.4343 10.4343 11.1634 11.1634 11.2898 11.2898 k = 0.1932 0.3530 0.1564 ( 6184 PWs) bands (ev): -53.8106 -53.8106 -53.8106 -53.8106 -28.1212 -28.1212 -28.1186 -28.1186 -20.4708 -20.4708 -20.4575 -20.4575 -20.3617 -20.3617 -20.3595 -20.3595 -6.8150 -6.8150 -6.6597 -6.6597 -4.2566 -4.2566 -4.2117 -4.2117 -3.1573 -3.1573 -3.0185 -3.0185 3.0504 3.0504 3.2410 3.2410 3.7307 3.7307 4.0585 4.0585 4.2273 4.2273 4.3163 4.3163 4.6542 4.6542 4.7854 4.7854 5.4720 5.4720 5.5428 5.5428 6.0064 6.0064 6.1085 6.1085 6.6879 6.6879 6.9415 6.9415 7.1152 7.1152 7.1872 7.1872 9.1289 9.1289 9.3801 9.3801 10.4654 10.4654 10.4986 10.4986 11.1806 11.1806 11.3073 11.3073 k = 0.2045 0.3530 0.1564 ( 6180 PWs) bands (ev): -53.8105 -53.8105 -53.8104 -53.8104 -28.1219 -28.1219 -28.1192 -28.1192 -20.4733 -20.4733 -20.4595 -20.4595 -20.3630 -20.3630 -20.3606 -20.3606 -6.8011 -6.8011 -6.6474 -6.6474 -4.2431 -4.2431 -4.1968 -4.1968 -3.1494 -3.1494 -3.0142 -3.0142 3.0839 3.0839 3.2316 3.2316 3.6799 3.6799 4.0560 4.0560 4.2020 4.2020 4.2950 4.2950 4.6346 4.6346 4.7690 4.7690 5.4241 5.4241 5.4867 5.4867 5.9956 5.9956 6.1038 6.1038 6.6857 6.6857 6.9120 6.9120 7.0840 7.0840 7.1717 7.1717 9.1355 9.1355 9.3835 9.3835 10.5282 10.5282 10.5610 10.5610 11.1967 11.1967 11.3237 11.3237 k = 0.2159 0.3530 0.1564 ( 6182 PWs) bands (ev): -53.8103 -53.8103 -53.8103 -53.8103 -28.1226 -28.1226 -28.1199 -28.1199 -20.4759 -20.4759 -20.4617 -20.4617 -20.3641 -20.3641 -20.3615 -20.3615 -6.7869 -6.7869 -6.6351 -6.6351 -4.2288 -4.2288 -4.1814 -4.1814 -3.1413 -3.1413 -3.0099 -3.0099 3.1146 3.1146 3.2147 3.2147 3.6296 3.6296 4.0573 4.0573 4.1759 4.1759 4.2740 4.2740 4.6227 4.6227 4.7585 4.7585 5.3736 5.3736 5.4283 5.4283 5.9852 5.9852 6.0983 6.0983 6.6830 6.6830 6.8819 6.8819 7.0515 7.0515 7.1554 7.1554 9.1424 9.1424 9.3870 9.3870 10.5889 10.5889 10.6212 10.6212 11.2121 11.2121 11.3404 11.3404 k = 0.2273 0.3530 0.1564 ( 6182 PWs) bands (ev): -53.8102 -53.8102 -53.8102 -53.8102 -28.1233 -28.1233 -28.1206 -28.1206 -20.4787 -20.4787 -20.4641 -20.4641 -20.3651 -20.3651 -20.3623 -20.3623 -6.7724 -6.7724 -6.6229 -6.6229 -4.2139 -4.2139 -4.1654 -4.1654 -3.1331 -3.1331 -3.0057 -3.0057 3.1398 3.1398 3.1901 3.1901 3.5825 3.5825 4.0631 4.0631 4.1500 4.1500 4.2540 4.2540 4.6174 4.6174 4.7532 4.7532 5.3212 5.3212 5.3684 5.3684 5.9750 5.9750 6.0921 6.0921 6.6794 6.6794 6.8506 6.8506 7.0180 7.0180 7.1383 7.1383 9.1497 9.1497 9.3906 9.3906 10.6472 10.6472 10.6788 10.6788 11.2273 11.2273 11.3584 11.3584 k = 0.2386 0.3530 0.1564 ( 6180 PWs) bands (ev): -53.8100 -53.8100 -53.8100 -53.8100 -28.1241 -28.1241 -28.1213 -28.1213 -20.4815 -20.4815 -20.4668 -20.4668 -20.3660 -20.3660 -20.3630 -20.3630 -6.7577 -6.7577 -6.6107 -6.6107 -4.1982 -4.1982 -4.1490 -4.1490 -3.1247 -3.1247 -3.0015 -3.0015 3.1512 3.1512 3.1622 3.1622 3.5430 3.5430 4.0731 4.0731 4.1253 4.1253 4.2365 4.2365 4.6173 4.6173 4.7520 4.7520 5.2676 5.2676 5.3079 5.3079 5.9647 5.9647 6.0852 6.0852 6.6747 6.6747 6.8181 6.8181 6.9837 6.9837 7.1204 7.1204 9.1574 9.1574 9.3944 9.3944 10.7025 10.7025 10.7333 10.7333 11.2432 11.2432 11.3789 11.3789 k = 0.2500 0.3530 0.1564 ( 6186 PWs) bands (ev): -53.8099 -53.8099 -53.8099 -53.8099 -28.1248 -28.1248 -28.1221 -28.1221 -20.4845 -20.4845 -20.4696 -20.4696 -20.3667 -20.3667 -20.3637 -20.3637 -6.7429 -6.7429 -6.5988 -6.5988 -4.1819 -4.1819 -4.1321 -4.1321 -3.1163 -3.1163 -2.9974 -2.9974 3.1167 3.1167 3.1587 3.1587 3.5166 3.5166 4.0845 4.0845 4.1043 4.1043 4.2229 4.2229 4.6212 4.6212 4.7539 4.7539 5.2137 5.2137 5.2476 5.2476 5.9540 5.9540 6.0776 6.0776 6.6684 6.6684 6.7843 6.7843 6.9493 6.9493 7.1019 7.1019 9.1656 9.1656 9.3982 9.3982 10.7542 10.7542 10.7843 10.7843 11.2608 11.2608 11.4025 11.4025 k = 0.2614 0.3530 0.1564 ( 6178 PWs) bands (ev): -53.8098 -53.8098 -53.8097 -53.8097 -28.1255 -28.1255 -28.1228 -28.1228 -20.4875 -20.4875 -20.4726 -20.4726 -20.3672 -20.3672 -20.3641 -20.3641 -6.7280 -6.7280 -6.5872 -6.5872 -4.1650 -4.1650 -4.1150 -4.1150 -3.1079 -3.1079 -2.9935 -2.9935 3.0717 3.0717 3.1411 3.1411 3.5074 3.5074 4.0755 4.0755 4.1076 4.1076 4.2154 4.2154 4.6278 4.6278 4.7578 4.7578 5.1602 5.1602 5.1882 5.1882 5.9429 5.9429 6.0692 6.0692 6.6601 6.6601 6.7491 6.7491 6.9154 6.9154 7.0828 7.0828 9.1742 9.1742 9.4020 9.4020 10.8020 10.8020 10.8318 10.8318 11.2813 11.2813 11.4294 11.4294 k = 0.2727 0.3530 0.1564 ( 6168 PWs) bands (ev): -53.8096 -53.8096 -53.8096 -53.8096 -28.1262 -28.1262 -28.1235 -28.1235 -20.4906 -20.4906 -20.4758 -20.4758 -20.3675 -20.3675 -20.3644 -20.3644 -6.7131 -6.7131 -6.5759 -6.5759 -4.1476 -4.1476 -4.0975 -4.0975 -3.0994 -3.0994 -2.9897 -2.9897 3.0218 3.0218 3.1062 3.1062 3.5145 3.5145 4.0562 4.0562 4.1223 4.1223 4.2167 4.2167 4.6360 4.6360 4.7626 4.7626 5.1081 5.1081 5.1306 5.1306 5.9311 5.9311 6.0600 6.0600 6.6492 6.6492 6.7127 6.7127 6.8825 6.8825 7.0630 7.0630 9.1833 9.1833 9.4059 9.4059 10.8454 10.8454 10.8756 10.8756 11.3054 11.3054 11.4598 11.4598 k = 0.2841 0.3530 0.1564 ( 6166 PWs) bands (ev): -53.8095 -53.8095 -53.8095 -53.8095 -28.1269 -28.1269 -28.1242 -28.1242 -20.4937 -20.4937 -20.4791 -20.4791 -20.3678 -20.3678 -20.3647 -20.3647 -6.6983 -6.6983 -6.5650 -6.5650 -4.1298 -4.1298 -4.0799 -4.0799 -3.0911 -3.0911 -2.9862 -2.9862 2.9684 2.9684 3.0587 3.0587 3.5330 3.5330 4.0378 4.0378 4.1347 4.1347 4.2292 4.2292 4.6445 4.6445 4.7671 4.7671 5.0584 5.0584 5.0759 5.0759 5.9185 5.9185 6.0500 6.0500 6.6354 6.6354 6.6755 6.6755 6.8517 6.8517 7.0426 7.0426 9.1929 9.1929 9.4096 9.4096 10.8843 10.8843 10.9160 10.9160 11.3339 11.3339 11.4934 11.4934 k = 0.2955 0.3530 0.1564 ( 6168 PWs) bands (ev): -53.8093 -53.8093 -53.8093 -53.8093 -28.1276 -28.1276 -28.1249 -28.1249 -20.4968 -20.4968 -20.4825 -20.4825 -20.3679 -20.3679 -20.3648 -20.3648 -6.6836 -6.6836 -6.5547 -6.5547 -4.1116 -4.1116 -4.0622 -4.0622 -3.0828 -3.0828 -2.9829 -2.9829 2.9128 2.9128 3.0035 3.0035 3.5579 3.5579 4.0211 4.0211 4.1445 4.1445 4.2521 4.2521 4.6520 4.6520 4.7696 4.7696 5.0125 5.0125 5.0257 5.0257 5.9052 5.9052 6.0391 6.0391 6.6179 6.6179 6.6379 6.6379 6.8235 6.8235 7.0216 7.0216 9.2028 9.2028 9.4131 9.4131 10.9190 10.9190 10.9533 10.9533 11.3667 11.3667 11.5299 11.5299 k = 0.3068 0.3530 0.1564 ( 6162 PWs) bands (ev): -53.8092 -53.8092 -53.8092 -53.8092 -28.1282 -28.1282 -28.1256 -28.1256 -20.4999 -20.4999 -20.4859 -20.4859 -20.3679 -20.3679 -20.3649 -20.3649 -6.6691 -6.6691 -6.5449 -6.5449 -4.0932 -4.0932 -4.0445 -4.0445 -3.0748 -3.0748 -2.9799 -2.9799 2.8560 2.8560 2.9444 2.9444 3.5855 3.5855 4.0059 4.0059 4.1546 4.1546 4.2821 4.2821 4.6571 4.6571 4.7677 4.7677 4.9710 4.9710 4.9829 4.9829 5.8911 5.8911 6.0274 6.0274 6.5950 6.5950 6.6019 6.6019 6.7985 6.7985 7.0001 7.0001 9.2131 9.2131 9.4164 9.4164 10.9502 10.9502 10.9880 10.9880 11.4033 11.4033 11.5685 11.5685 k = 0.3182 0.3530 0.1564 ( 6162 PWs) bands (ev): -53.8091 -53.8091 -53.8091 -53.8091 -28.1289 -28.1289 -28.1264 -28.1264 -20.5029 -20.5029 -20.4893 -20.4893 -20.3678 -20.3678 -20.3649 -20.3649 -6.6549 -6.6549 -6.5358 -6.5358 -4.0746 -4.0746 -4.0269 -4.0269 -3.0669 -3.0669 -2.9771 -2.9771 2.7990 2.7990 2.8836 2.8836 3.6135 3.6135 3.9923 3.9923 4.1672 4.1672 4.3162 4.3162 4.6577 4.6577 4.7588 4.7588 4.9344 4.9344 4.9520 4.9520 5.8763 5.8763 6.0147 6.0147 6.5603 6.5603 6.5746 6.5746 6.7768 6.7768 6.9780 6.9780 9.2237 9.2237 9.4192 9.4192 10.9788 10.9788 11.0205 11.0205 11.4431 11.4431 11.6088 11.6088 k = 0.3295 0.3530 0.1564 ( 6158 PWs) bands (ev): -53.8089 -53.8089 -53.8089 -53.8089 -28.1294 -28.1294 -28.1270 -28.1270 -20.5059 -20.5059 -20.4928 -20.4928 -20.3676 -20.3676 -20.3648 -20.3648 -6.6409 -6.6409 -6.5272 -6.5272 -4.0560 -4.0560 -4.0095 -4.0095 -3.0592 -3.0592 -2.9748 -2.9748 2.7426 2.7426 2.8227 2.8227 3.6403 3.6403 3.9800 3.9800 4.1836 4.1836 4.3523 4.3523 4.6518 4.6518 4.7411 4.7411 4.9056 4.9056 4.9340 4.9340 5.8609 5.8609 6.0011 6.0011 6.5233 6.5233 6.5475 6.5475 6.7581 6.7581 6.9555 6.9555 9.2345 9.2345 9.4217 9.4217 11.0059 11.0059 11.0513 11.0513 11.4848 11.4848 11.6497 11.6497 k = 0.3409 0.3530 0.1564 ( 6154 PWs) bands (ev): -53.8088 -53.8088 -53.8088 -53.8088 -28.1300 -28.1300 -28.1277 -28.1277 -20.5087 -20.5087 -20.4962 -20.4962 -20.3674 -20.3674 -20.3647 -20.3647 -6.6273 -6.6273 -6.5194 -6.5194 -4.0374 -4.0374 -3.9925 -3.9925 -3.0518 -3.0518 -2.9727 -2.9727 2.6875 2.6875 2.7627 2.7627 3.6653 3.6653 3.9690 3.9690 4.2043 4.2043 4.3889 4.3889 4.6383 4.6383 4.7159 4.7159 4.8867 4.8867 4.9265 4.9265 5.8452 5.8452 5.9865 5.9865 6.4869 6.4869 6.5189 6.5189 6.7419 6.7419 6.9327 6.9327 9.2455 9.2455 9.4236 9.4236 11.0323 11.0323 11.0809 11.0809 11.5276 11.5276 11.6905 11.6905 k = 0.3523 0.3530 0.1564 ( 6150 PWs) bands (ev): -53.8087 -53.8087 -53.8087 -53.8087 -28.1305 -28.1305 -28.1283 -28.1283 -20.5114 -20.5114 -20.4995 -20.4995 -20.3671 -20.3671 -20.3646 -20.3646 -6.6141 -6.6141 -6.5124 -6.5124 -4.0191 -4.0191 -3.9760 -3.9760 -3.0447 -3.0447 -2.9711 -2.9711 2.6343 2.6343 2.7045 2.7045 3.6880 3.6880 3.9590 3.9590 4.2289 4.2289 4.4246 4.4246 4.6180 4.6180 4.6871 4.6871 4.8774 4.8774 4.9261 4.9261 5.8292 5.8292 5.9710 5.9710 6.4519 6.4519 6.4893 6.4893 6.7277 6.7277 6.9097 6.9097 9.2565 9.2565 9.4249 9.4249 11.0588 11.0588 11.1098 11.1098 11.5702 11.5702 11.7302 11.7302 k = 0.3636 0.3530 0.1564 ( 6148 PWs) bands (ev): -53.8086 -53.8086 -53.8086 -53.8086 -28.1310 -28.1310 -28.1290 -28.1290 -20.5140 -20.5140 -20.5028 -20.5028 -20.3668 -20.3668 -20.3644 -20.3644 -6.6014 -6.6014 -6.5061 -6.5061 -4.0011 -4.0011 -3.9600 -3.9600 -3.0379 -3.0379 -2.9698 -2.9698 2.5834 2.5834 2.6486 2.6486 3.7083 3.7083 3.9499 3.9499 4.2568 4.2568 4.4576 4.4576 4.5933 4.5933 4.6584 4.6584 4.8757 4.8757 4.9298 4.9298 5.8134 5.8134 5.9546 5.9546 6.4186 6.4186 6.4597 6.4597 6.7151 6.7151 6.8866 6.8866 9.2675 9.2675 9.4256 9.4256 11.0860 11.0860 11.1382 11.1382 11.6117 11.6117 11.7679 11.7679 k = 0.3750 0.3530 0.1564 ( 6144 PWs) bands (ev): -53.8085 -53.8085 -53.8085 -53.8085 -28.1315 -28.1315 -28.1296 -28.1296 -20.5164 -20.5164 -20.5059 -20.5059 -20.3664 -20.3664 -20.3643 -20.3643 -6.5891 -6.5891 -6.5006 -6.5006 -3.9836 -3.9836 -3.9449 -3.9449 -3.0314 -3.0314 -2.9689 -2.9689 2.5354 2.5354 2.5954 2.5954 3.7265 3.7265 3.9415 3.9415 4.2870 4.2870 4.4846 4.4846 4.5674 4.5674 4.6343 4.6343 4.8790 4.8790 4.9355 4.9355 5.7979 5.7979 5.9373 5.9373 6.3874 6.3874 6.4306 6.4306 6.7038 6.7038 6.8636 6.8636 9.2784 9.2784 9.4257 9.4257 11.1140 11.1140 11.1665 11.1665 11.6511 11.6511 11.8025 11.8025 k = 0.3864 0.3530 0.1564 ( 6142 PWs) bands (ev): -53.8084 -53.8084 -53.8084 -53.8084 -28.1319 -28.1319 -28.1301 -28.1301 -20.5186 -20.5186 -20.5089 -20.5089 -20.3660 -20.3660 -20.3641 -20.3641 -6.5774 -6.5774 -6.4960 -6.4960 -3.9667 -3.9667 -3.9306 -3.9306 -3.0252 -3.0252 -2.9684 -2.9684 2.4907 2.4907 2.5455 2.5455 3.7427 3.7427 3.9336 3.9336 4.3182 4.3182 4.4992 4.4992 4.5438 4.5438 4.6206 4.6206 4.8853 4.8853 4.9420 4.9420 5.7831 5.7831 5.9193 5.9193 6.3586 6.3586 6.4025 6.4025 6.6937 6.6937 6.8409 6.8409 9.2892 9.2892 9.4250 9.4250 11.1431 11.1431 11.1949 11.1949 11.6873 11.6873 11.8333 11.8333 k = 0.3977 0.3530 0.1564 ( 6138 PWs) bands (ev): -53.8083 -53.8083 -53.8083 -53.8083 -28.1323 -28.1323 -28.1307 -28.1307 -20.5205 -20.5205 -20.5118 -20.5118 -20.3657 -20.3657 -20.3639 -20.3639 -6.5663 -6.5663 -6.4921 -6.4921 -3.9506 -3.9506 -3.9173 -3.9173 -3.0195 -3.0195 -2.9682 -2.9682 2.4496 2.4496 2.4991 2.4991 3.7574 3.7574 3.9260 3.9260 4.3482 4.3482 4.4940 4.4940 4.5274 4.5274 4.6224 4.6224 4.8935 4.8935 4.9487 4.9487 5.7694 5.7694 5.9006 5.9006 6.3325 6.3325 6.3758 6.3758 6.6847 6.6847 6.8187 6.8187 9.2999 9.2999 9.4236 9.4236 11.1731 11.1731 11.2232 11.2232 11.7195 11.7195 11.8592 11.8592 k = 0.4091 0.3530 0.1564 ( 6128 PWs) bands (ev): -53.8082 -53.8082 -53.8082 -53.8082 -28.1326 -28.1326 -28.1311 -28.1311 -20.5223 -20.5223 -20.5144 -20.5144 -20.3653 -20.3653 -20.3637 -20.3637 -6.5557 -6.5557 -6.4892 -6.4892 -3.9355 -3.9355 -3.9052 -3.9052 -3.0140 -3.0140 -2.9685 -2.9685 2.4123 2.4123 2.4565 2.4565 3.7709 3.7709 3.9187 3.9187 4.3738 4.3738 4.4761 4.4761 4.5184 4.5184 4.6356 4.6356 4.9028 4.9028 4.9549 4.9549 5.7571 5.7571 5.8814 5.8814 6.3093 6.3093 6.3510 6.3510 6.6769 6.6769 6.7971 6.7971 9.3103 9.3103 9.4215 9.4215 11.2037 11.2037 11.2516 11.2516 11.7468 11.7468 11.8794 11.8794 k = 0.4205 0.3530 0.1564 ( 6128 PWs) bands (ev): -53.8082 -53.8082 -53.8081 -53.8081 -28.1329 -28.1329 -28.1316 -28.1316 -20.5238 -20.5238 -20.5168 -20.5168 -20.3649 -20.3649 -20.3636 -20.3636 -6.5458 -6.5458 -6.4871 -6.4871 -3.9214 -3.9214 -3.8945 -3.8945 -3.0090 -3.0090 -2.9691 -2.9691 2.3792 2.3792 2.4181 2.4181 3.7833 3.7833 3.9113 3.9113 4.3905 4.3905 4.4561 4.4561 4.5182 4.5182 4.6520 4.6520 4.9126 4.9126 4.9606 4.9606 5.7466 5.7466 5.8619 5.8619 6.2892 6.2892 6.3281 6.3281 6.6705 6.6705 6.7764 6.7764 9.3204 9.3204 9.4187 9.4187 11.2345 11.2345 11.2795 11.2795 11.7688 11.7688 11.8934 11.8934 k = 0.4318 0.3530 0.1564 ( 6122 PWs) bands (ev): -53.8081 -53.8081 -53.8081 -53.8081 -28.1331 -28.1331 -28.1320 -28.1320 -20.5251 -20.5251 -20.5190 -20.5190 -20.3646 -20.3646 -20.3634 -20.3634 -6.5366 -6.5366 -6.4858 -6.4858 -3.9086 -3.9086 -3.8851 -3.8851 -3.0042 -3.0042 -2.9700 -2.9700 2.3504 2.3504 2.3839 2.3839 3.7949 3.7949 3.9039 3.9039 4.3956 4.3956 4.4372 4.4372 4.5299 4.5299 4.6667 4.6667 4.9228 4.9228 4.9655 4.9655 5.7382 5.7382 5.8424 5.8424 6.2723 6.2723 6.3075 6.3075 6.6654 6.6654 6.7569 6.7569 9.3302 9.3302 9.4152 9.4152 11.2648 11.2648 11.3066 11.3066 11.7855 11.7855 11.9006 11.9006 k = 0.4432 0.3530 0.1564 ( 6122 PWs) bands (ev): -53.8080 -53.8080 -53.8080 -53.8080 -28.1333 -28.1333 -28.1323 -28.1323 -20.5261 -20.5261 -20.5210 -20.5210 -20.3643 -20.3643 -20.3633 -20.3633 -6.5280 -6.5280 -6.4855 -6.4855 -3.8972 -3.8972 -3.8773 -3.8773 -2.9998 -2.9998 -2.9713 -2.9713 2.3262 2.3262 2.3542 2.3542 3.8059 3.8059 3.8963 3.8963 4.3926 4.3926 4.4204 4.4204 4.5507 4.5507 4.6777 4.6777 4.9329 4.9329 4.9694 4.9694 5.7322 5.7322 5.8232 5.8232 6.2586 6.2586 6.2893 6.2893 6.6620 6.6620 6.7387 6.7387 9.3397 9.3397 9.4111 9.4111 11.2940 11.2940 11.3320 11.3320 11.7976 11.7976 11.9013 11.9013 k = 0.4545 0.3530 0.1564 ( 6120 PWs) bands (ev): -53.8080 -53.8080 -53.8080 -53.8080 -28.1334 -28.1334 -28.1327 -28.1327 -20.5268 -20.5268 -20.5228 -20.5228 -20.3640 -20.3640 -20.3632 -20.3632 -6.5202 -6.5202 -6.4860 -6.4860 -3.8873 -3.8873 -3.8712 -3.8712 -2.9957 -2.9957 -2.9729 -2.9729 2.3067 2.3067 2.3292 2.3292 3.8164 3.8164 3.8885 3.8885 4.3865 4.3865 4.4061 4.4061 4.5753 4.5753 4.6841 4.6841 4.9427 4.9427 4.9723 4.9723 5.7290 5.7290 5.8047 5.8047 6.2481 6.2481 6.2736 6.2736 6.6604 6.6604 6.7220 6.7220 9.3488 9.3488 9.4063 9.4063 11.3211 11.3211 11.3546 11.3546 11.8065 11.8065 11.8959 11.8959 k = 0.4659 0.3530 0.1564 ( 6124 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1335 -28.1335 -28.1330 -28.1330 -20.5273 -20.5273 -20.5242 -20.5242 -20.3638 -20.3638 -20.3632 -20.3632 -6.5131 -6.5131 -6.4874 -6.4874 -3.8790 -3.8790 -3.8668 -3.8668 -2.9919 -2.9919 -2.9748 -2.9748 2.2921 2.2921 2.3090 2.3090 3.8265 3.8265 3.8804 3.8804 4.3807 4.3807 4.3943 4.3943 4.6002 4.6002 4.6854 4.6854 4.9516 4.9516 4.9740 4.9740 5.7287 5.7287 5.7872 5.7872 6.2409 6.2409 6.2605 6.2605 6.6607 6.6607 6.7071 6.7071 9.3576 9.3576 9.4009 9.4009 11.3454 11.3454 11.3728 11.3728 11.8139 11.8139 11.8857 11.8857 k = 0.4773 0.3530 0.1564 ( 6126 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1336 -28.1336 -28.1332 -28.1332 -20.5275 -20.5275 -20.5255 -20.5255 -20.3636 -20.3636 -20.3632 -20.3632 -6.5068 -6.5068 -6.4896 -6.4896 -3.8724 -3.8724 -3.8642 -3.8642 -2.9884 -2.9884 -2.9770 -2.9770 2.2824 2.2824 2.2937 2.2937 3.8362 3.8362 3.8721 3.8721 4.3765 4.3765 4.3852 4.3852 4.6234 4.6234 4.6818 4.6818 4.9594 4.9594 4.9743 4.9743 5.7315 5.7315 5.7714 5.7714 6.2367 6.2367 6.2501 6.2501 6.6631 6.6631 6.6941 6.6941 9.3660 9.3660 9.3949 9.3949 11.3656 11.3656 11.3854 11.3854 11.8218 11.8218 11.8723 11.8723 k = 0.4886 0.3530 0.1564 ( 6122 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1335 -28.1335 -28.1334 -28.1334 -20.5274 -20.5274 -20.5264 -20.5264 -20.3634 -20.3634 -20.3632 -20.3632 -6.5013 -6.5013 -6.4926 -6.4926 -3.8675 -3.8675 -3.8634 -3.8634 -2.9851 -2.9851 -2.9794 -2.9794 2.2776 2.2776 2.2833 2.2833 3.8456 3.8456 3.8636 3.8636 4.3747 4.3747 4.3789 4.3789 4.6438 4.6438 4.6735 4.6735 4.9657 4.9657 4.9731 4.9731 5.7373 5.7373 5.7575 5.7575 6.2357 6.2357 6.2424 6.2424 6.6676 6.6676 6.6831 6.6831 9.3739 9.3739 9.3884 9.3884 11.3807 11.3807 11.3911 11.3911 11.8315 11.8315 11.8576 11.8576 k = 0.5000 0.3530 0.1564 ( 6128 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1335 -28.1335 -28.1335 -28.1335 -20.5271 -20.5271 -20.5271 -20.5271 -20.3633 -20.3633 -20.3633 -20.3633 -6.4965 -6.4965 -6.4965 -6.4965 -3.8646 -3.8646 -3.8646 -3.8646 -2.9821 -2.9821 -2.9821 -2.9821 2.2780 2.2780 2.2780 2.2780 3.8547 3.8547 3.8547 3.8547 4.3754 4.3754 4.3754 4.3754 4.6606 4.6606 4.6606 4.6606 4.9703 4.9703 4.9703 4.9703 5.7460 5.7460 5.7460 5.7460 6.2376 6.2376 6.2376 6.2376 6.6742 6.6742 6.6742 6.6742 9.3814 9.3814 9.3814 9.3814 11.3895 11.3895 11.3895 11.3895 11.8436 11.8436 11.8436 11.8436 k = 0.5000 0.3530 0.1564 ( 6128 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1335 -28.1335 -28.1335 -28.1335 -20.5271 -20.5271 -20.5271 -20.5271 -20.3633 -20.3633 -20.3633 -20.3633 -6.4965 -6.4965 -6.4965 -6.4965 -3.8646 -3.8646 -3.8646 -3.8646 -2.9821 -2.9821 -2.9821 -2.9821 2.2780 2.2780 2.2780 2.2780 3.8547 3.8547 3.8547 3.8547 4.3754 4.3754 4.3754 4.3754 4.6606 4.6606 4.6606 4.6606 4.9703 4.9703 4.9703 4.9703 5.7460 5.7460 5.7460 5.7460 6.2376 6.2376 6.2376 6.2376 6.6742 6.6742 6.6742 6.6742 9.3814 9.3814 9.3814 9.3814 11.3895 11.3895 11.3895 11.3895 11.8436 11.8436 11.8436 11.8436 k = 0.5000 0.3571 0.1473 ( 6126 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1335 -28.1335 -28.1335 -28.1335 -20.5271 -20.5271 -20.5270 -20.5270 -20.3633 -20.3633 -20.3633 -20.3633 -6.4966 -6.4966 -6.4966 -6.4966 -3.8649 -3.8649 -3.8643 -3.8643 -2.9819 -2.9819 -2.9819 -2.9819 2.2784 2.2784 2.2785 2.2785 3.8515 3.8515 3.8568 3.8568 4.3740 4.3740 4.3747 4.3747 4.6594 4.6594 4.6618 4.6618 4.9698 4.9698 4.9700 4.9700 5.7452 5.7452 5.7484 5.7484 6.2355 6.2355 6.2397 6.2397 6.6739 6.6739 6.6756 6.6756 9.3824 9.3824 9.3826 9.3826 11.3765 11.3765 11.3989 11.3989 11.8346 11.8346 11.8521 11.8521 k = 0.5000 0.3611 0.1381 ( 6118 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1335 -28.1335 -28.1335 -28.1335 -20.5271 -20.5271 -20.5270 -20.5270 -20.3633 -20.3633 -20.3633 -20.3633 -6.4968 -6.4968 -6.4968 -6.4968 -3.8655 -3.8655 -3.8642 -3.8642 -2.9812 -2.9812 -2.9811 -2.9811 2.2799 2.2799 2.2800 2.2800 3.8470 3.8470 3.8577 3.8577 4.3705 4.3705 4.3721 4.3721 4.6583 4.6583 4.6629 4.6629 4.9687 4.9687 4.9690 4.9690 5.7458 5.7458 5.7522 5.7522 6.2334 6.2334 6.2418 6.2418 6.6747 6.6747 6.6780 6.6780 9.3856 9.3856 9.3859 9.3859 11.3604 11.3604 11.4045 11.4045 11.8256 11.8256 11.8599 11.8599 k = 0.5000 0.3652 0.1290 ( 6114 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1334 -28.1334 -28.1334 -28.1334 -20.5271 -20.5271 -20.5270 -20.5270 -20.3633 -20.3633 -20.3633 -20.3633 -6.4972 -6.4972 -6.4972 -6.4972 -3.8662 -3.8662 -3.8642 -3.8642 -2.9799 -2.9799 -2.9799 -2.9799 2.2823 2.2823 2.2824 2.2824 3.8412 3.8412 3.8574 3.8574 4.3647 4.3647 4.3678 4.3678 4.6573 4.6573 4.6636 4.6636 4.9669 4.9669 4.9673 4.9673 5.7477 5.7477 5.7575 5.7575 6.2312 6.2312 6.2440 6.2440 6.6767 6.6767 6.6816 6.6816 9.3910 9.3910 9.3914 9.3914 11.3415 11.3415 11.4062 11.4062 11.8168 11.8168 11.8668 11.8668 k = 0.5000 0.3692 0.1198 ( 6118 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1335 -28.1335 -28.1334 -28.1334 -20.5271 -20.5271 -20.5270 -20.5270 -20.3633 -20.3633 -20.3633 -20.3633 -6.4977 -6.4977 -6.4977 -6.4977 -3.8670 -3.8670 -3.8643 -3.8643 -2.9782 -2.9782 -2.9781 -2.9781 2.2857 2.2857 2.2858 2.2858 3.8341 3.8341 3.8559 3.8559 4.3571 4.3571 4.3622 4.3622 4.6563 4.6563 4.6639 4.6639 4.9645 4.9645 4.9651 4.9651 5.7505 5.7505 5.7638 5.7638 6.2290 6.2290 6.2462 6.2462 6.6797 6.6797 6.6863 6.6863 9.3985 9.3985 9.3991 9.3991 11.3203 11.3203 11.4038 11.4038 11.8086 11.8086 11.8727 11.8727 k = 0.5000 0.3733 0.1107 ( 6116 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1335 -28.1335 -28.1334 -28.1334 -20.5271 -20.5271 -20.5270 -20.5270 -20.3633 -20.3633 -20.3633 -20.3633 -6.4983 -6.4983 -6.4983 -6.4983 -3.8679 -3.8679 -3.8646 -3.8646 -2.9759 -2.9759 -2.9759 -2.9759 2.2900 2.2900 2.2901 2.2901 3.8255 3.8255 3.8531 3.8531 4.3477 4.3477 4.3557 4.3557 4.6554 4.6554 4.6636 4.6636 4.9617 4.9617 4.9626 4.9626 5.7540 5.7540 5.7708 5.7708 6.2268 6.2268 6.2485 6.2485 6.6840 6.6840 6.6921 6.6921 9.4081 9.4081 9.4089 9.4089 11.2972 11.2972 11.3975 11.3975 11.8013 11.8013 11.8776 11.8776 k = 0.5000 0.3733 0.1107 ( 6116 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1335 -28.1335 -28.1334 -28.1334 -20.5271 -20.5271 -20.5270 -20.5270 -20.3633 -20.3633 -20.3633 -20.3633 -6.4983 -6.4983 -6.4983 -6.4983 -3.8679 -3.8679 -3.8646 -3.8646 -2.9759 -2.9759 -2.9759 -2.9759 2.2900 2.2900 2.2901 2.2901 3.8255 3.8255 3.8531 3.8531 4.3477 4.3477 4.3557 4.3557 4.6554 4.6554 4.6636 4.6636 4.9617 4.9617 4.9626 4.9626 5.7540 5.7540 5.7708 5.7708 6.2268 6.2268 6.2485 6.2485 6.6840 6.6840 6.6921 6.6921 9.4081 9.4081 9.4089 9.4089 11.2972 11.2972 11.3975 11.3975 11.8013 11.8013 11.8776 11.8776 k = 0.5000 0.3718 0.0995 ( 6122 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1335 -28.1335 -28.1335 -28.1335 -20.5271 -20.5271 -20.5270 -20.5270 -20.3633 -20.3633 -20.3633 -20.3633 -6.4981 -6.4981 -6.4981 -6.4981 -3.8676 -3.8676 -3.8645 -3.8645 -2.9769 -2.9769 -2.9768 -2.9768 2.2947 2.2947 2.2949 2.2949 3.8166 3.8166 3.8401 3.8401 4.3408 4.3408 4.3448 4.3448 4.6603 4.6603 4.6680 4.6680 4.9709 4.9709 4.9725 4.9725 5.7595 5.7595 5.7774 5.7774 6.2212 6.2212 6.2445 6.2445 6.6908 6.6908 6.6984 6.6984 9.4035 9.4035 9.4043 9.4043 11.2914 11.2914 11.3881 11.3881 11.7955 11.7955 11.8742 11.8742 k = 0.5000 0.3704 0.0884 ( 6120 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1335 -28.1335 -28.1335 -28.1335 -20.5271 -20.5271 -20.5270 -20.5270 -20.3633 -20.3633 -20.3633 -20.3633 -6.4979 -6.4979 -6.4979 -6.4979 -3.8673 -3.8673 -3.8644 -3.8644 -2.9778 -2.9778 -2.9778 -2.9778 2.3006 2.3006 2.3008 2.3008 3.8048 3.8048 3.8244 3.8244 4.3329 4.3329 4.3337 4.3337 4.6665 4.6665 4.6735 4.6735 4.9809 4.9809 4.9829 4.9829 5.7661 5.7661 5.7849 5.7849 6.2139 6.2139 6.2385 6.2385 6.6995 6.6995 6.7065 6.7065 9.3990 9.3990 9.3998 9.3998 11.2857 11.2857 11.3785 11.3785 11.7888 11.7888 11.8691 11.8691 k = 0.5000 0.3689 0.0772 ( 6118 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1335 -28.1335 -28.1334 -28.1334 -20.5271 -20.5271 -20.5270 -20.5270 -20.3633 -20.3633 -20.3633 -20.3633 -6.4976 -6.4976 -6.4976 -6.4976 -3.8670 -3.8670 -3.8644 -3.8644 -2.9787 -2.9787 -2.9786 -2.9786 2.3073 2.3073 2.3076 2.3076 3.7905 3.7905 3.8068 3.8068 4.3225 4.3225 4.3242 4.3242 4.6738 4.6738 4.6799 4.6799 4.9915 4.9915 4.9939 4.9939 5.7735 5.7735 5.7932 5.7932 6.2050 6.2050 6.2307 6.2307 6.7096 6.7096 6.7161 6.7161 9.3948 9.3948 9.3956 9.3956 11.2805 11.2805 11.3689 11.3689 11.7812 11.7812 11.8622 11.8622 k = 0.5000 0.3675 0.0660 ( 6118 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1335 -28.1335 -28.1335 -28.1335 -20.5271 -20.5271 -20.5270 -20.5270 -20.3633 -20.3633 -20.3633 -20.3633 -6.4974 -6.4974 -6.4974 -6.4974 -3.8667 -3.8667 -3.8643 -3.8643 -2.9795 -2.9795 -2.9794 -2.9794 2.3148 2.3148 2.3151 2.3151 3.7744 3.7744 3.7877 3.7877 4.3116 4.3116 4.3149 4.3149 4.6817 4.6817 4.6869 4.6869 5.0027 5.0027 5.0052 5.0052 5.7814 5.7814 5.8019 5.8019 6.1950 6.1950 6.2214 6.2214 6.7209 6.7209 6.7269 6.7269 9.3908 9.3908 9.3916 9.3916 11.2761 11.2761 11.3596 11.3596 11.7729 11.7729 11.8534 11.8534 k = 0.5000 0.3660 0.0548 ( 6116 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1335 -28.1335 -28.1334 -28.1334 -20.5271 -20.5271 -20.5270 -20.5270 -20.3633 -20.3633 -20.3633 -20.3633 -6.4973 -6.4973 -6.4972 -6.4972 -3.8664 -3.8664 -3.8643 -3.8643 -2.9802 -2.9802 -2.9802 -2.9802 2.3228 2.3228 2.3230 2.3230 3.7572 3.7572 3.7679 3.7679 4.3010 4.3010 4.3054 4.3054 4.6899 4.6899 4.6941 4.6941 5.0142 5.0142 5.0168 5.0168 5.7896 5.7896 5.8106 5.8106 6.1841 6.1841 6.2109 6.2109 6.7329 6.7329 6.7385 6.7385 9.3870 9.3870 9.3878 9.3878 11.2726 11.2726 11.3508 11.3508 11.7641 11.7641 11.8427 11.8427 k = 0.5000 0.3646 0.0437 ( 6126 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1335 -28.1335 -28.1335 -28.1335 -20.5271 -20.5271 -20.5270 -20.5270 -20.3633 -20.3633 -20.3633 -20.3633 -6.4971 -6.4971 -6.4971 -6.4971 -3.8662 -3.8662 -3.8643 -3.8643 -2.9809 -2.9809 -2.9809 -2.9809 2.3310 2.3310 2.3312 2.3312 3.7394 3.7394 3.7480 3.7480 4.2911 4.2911 4.2960 4.2960 4.6979 4.6979 4.7013 4.7013 5.0260 5.0260 5.0285 5.0285 5.7978 5.7978 5.8190 5.8190 6.1728 6.1728 6.1995 6.1995 6.7453 6.7453 6.7504 6.7504 9.3836 9.3836 9.3844 9.3844 11.2702 11.2702 11.3425 11.3425 11.7550 11.7550 11.8305 11.8305 k = 0.5000 0.3631 0.0325 ( 6122 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1335 -28.1335 -28.1335 -28.1335 -20.5271 -20.5271 -20.5270 -20.5270 -20.3633 -20.3633 -20.3633 -20.3633 -6.4970 -6.4970 -6.4969 -6.4969 -3.8660 -3.8660 -3.8643 -3.8643 -2.9815 -2.9815 -2.9815 -2.9815 2.3392 2.3392 2.3394 2.3394 3.7219 3.7219 3.7287 3.7287 4.2819 4.2819 4.2869 4.2869 4.7055 4.7055 4.7081 4.7081 5.0377 5.0377 5.0401 5.0401 5.8059 5.8059 5.8268 5.8268 6.1616 6.1616 6.1875 6.1875 6.7576 6.7576 6.7623 6.7623 9.3805 9.3805 9.3813 9.3813 11.2690 11.2690 11.3348 11.3348 11.7460 11.7460 11.8168 11.8168 k = 0.5000 0.3617 0.0213 ( 6126 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1335 -28.1335 -28.1335 -28.1335 -20.5271 -20.5271 -20.5270 -20.5270 -20.3633 -20.3633 -20.3633 -20.3633 -6.4968 -6.4968 -6.4968 -6.4968 -3.8658 -3.8658 -3.8643 -3.8643 -2.9820 -2.9820 -2.9820 -2.9820 2.3471 2.3471 2.3473 2.3473 3.7052 3.7052 3.7105 3.7105 4.2736 4.2736 4.2784 4.2784 4.7124 4.7124 4.7144 4.7144 5.0489 5.0489 5.0511 5.0511 5.8136 5.8136 5.8337 5.8337 6.1509 6.1509 6.1754 6.1754 6.7694 6.7694 6.7735 6.7735 9.3778 9.3778 9.3785 9.3785 11.2691 11.2691 11.3276 11.3276 11.7377 11.7377 11.8022 11.8022 k = 0.5000 0.3602 0.0101 ( 6118 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1335 -28.1335 -28.1335 -28.1335 -20.5271 -20.5271 -20.5270 -20.5270 -20.3633 -20.3633 -20.3633 -20.3633 -6.4967 -6.4967 -6.4967 -6.4967 -3.8656 -3.8656 -3.8644 -3.8644 -2.9825 -2.9825 -2.9825 -2.9825 2.3545 2.3545 2.3546 2.3546 3.6899 3.6899 3.6939 3.6939 4.2665 4.2665 4.2708 4.2708 4.7184 4.7184 4.7199 4.7199 5.0594 5.0594 5.0612 5.0612 5.8210 5.8210 5.8396 5.8396 6.1413 6.1413 6.1636 6.1636 6.7802 6.7802 6.7838 6.7838 9.3755 9.3755 9.3761 9.3761 11.2705 11.2705 11.3210 11.3210 11.7304 11.7304 11.7872 11.7872 k = 0.5000 0.3588-0.0010 ( 6120 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1335 -28.1335 -28.1335 -28.1335 -20.5271 -20.5271 -20.5270 -20.5270 -20.3633 -20.3633 -20.3633 -20.3633 -6.4966 -6.4966 -6.4966 -6.4966 -3.8654 -3.8654 -3.8644 -3.8644 -2.9829 -2.9829 -2.9829 -2.9829 2.3609 2.3609 2.3611 2.3611 3.6766 3.6766 3.6796 3.6796 4.2606 4.2606 4.2642 4.2642 4.7234 4.7234 4.7245 4.7245 5.0687 5.0687 5.0702 5.0702 5.8278 5.8278 5.8441 5.8441 6.1333 6.1333 6.1526 6.1526 6.7898 6.7898 6.7927 6.7927 9.3736 9.3736 9.3741 9.3741 11.2730 11.2730 11.3147 11.3147 11.7248 11.7248 11.7724 11.7724 k = 0.5000 0.3573-0.0122 ( 6118 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1335 -28.1335 -28.1335 -28.1335 -20.5271 -20.5271 -20.5270 -20.5270 -20.3633 -20.3633 -20.3633 -20.3633 -6.4966 -6.4966 -6.4965 -6.4965 -3.8652 -3.8652 -3.8645 -3.8645 -2.9832 -2.9832 -2.9832 -2.9832 2.3663 2.3663 2.3664 2.3664 3.6657 3.6657 3.6679 3.6679 4.2560 4.2560 4.2589 4.2589 4.7274 4.7274 4.7281 4.7281 5.0764 5.0764 5.0775 5.0775 5.8340 5.8340 5.8471 5.8471 6.1272 6.1272 6.1427 6.1427 6.7976 6.7976 6.7999 6.7999 9.3721 9.3721 9.3725 9.3725 11.2766 11.2766 11.3087 11.3087 11.7213 11.7213 11.7583 11.7583 k = 0.5000 0.3559-0.0234 ( 6118 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1335 -28.1335 -28.1335 -28.1335 -20.5270 -20.5270 -20.5270 -20.5270 -20.3633 -20.3633 -20.3633 -20.3633 -6.4965 -6.4965 -6.4965 -6.4965 -3.8651 -3.8651 -3.8646 -3.8646 -2.9834 -2.9834 -2.9834 -2.9834 2.3703 2.3703 2.3703 2.3703 3.6578 3.6578 3.6591 3.6591 4.2528 4.2528 4.2548 4.2548 4.7303 4.7303 4.7307 4.7307 5.0822 5.0822 5.0830 5.0830 5.8393 5.8393 5.8486 5.8486 6.1235 6.1235 6.1343 6.1343 6.8036 6.8036 6.8051 6.8051 9.3710 9.3710 9.3713 9.3713 11.2810 11.2810 11.3029 11.3029 11.7205 11.7205 11.7458 11.7458 k = 0.5000 0.3545-0.0345 ( 6118 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1335 -28.1335 -28.1335 -28.1335 -20.5270 -20.5270 -20.5270 -20.5270 -20.3633 -20.3633 -20.3633 -20.3633 -6.4965 -6.4965 -6.4965 -6.4965 -3.8649 -3.8649 -3.8647 -3.8647 -2.9835 -2.9835 -2.9835 -2.9835 2.3727 2.3727 2.3728 2.3728 3.6530 3.6530 3.6537 3.6537 4.2511 4.2511 4.2521 4.2521 4.7320 4.7320 4.7323 4.7323 5.0859 5.0859 5.0863 5.0863 5.8436 5.8436 5.8484 5.8484 6.1224 6.1224 6.1280 6.1280 6.8074 6.8074 6.8082 6.8082 9.3704 9.3704 9.3705 9.3705 11.2860 11.2860 11.2971 11.2971 11.7225 11.7225 11.7354 11.7354 k = 0.5000 0.3530-0.0457 ( 6120 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1335 -28.1335 -28.1335 -28.1335 -20.5270 -20.5270 -20.5270 -20.5270 -20.3633 -20.3633 -20.3633 -20.3633 -6.4965 -6.4965 -6.4965 -6.4965 -3.8648 -3.8648 -3.8648 -3.8648 -2.9835 -2.9835 -2.9835 -2.9835 2.3736 2.3736 2.3736 2.3736 3.6516 3.6516 3.6516 3.6516 4.2509 4.2509 4.2509 4.2509 4.7327 4.7327 4.7327 4.7327 5.0873 5.0873 5.0873 5.0873 5.8467 5.8467 5.8467 5.8467 6.1239 6.1239 6.1239 6.1239 6.8090 6.8090 6.8090 6.8090 9.3702 9.3702 9.3702 9.3702 11.2914 11.2914 11.2914 11.2914 11.7275 11.7275 11.7275 11.7275 k = 0.5000 0.3530-0.0457 ( 6120 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1335 -28.1335 -28.1335 -28.1335 -20.5270 -20.5270 -20.5270 -20.5270 -20.3633 -20.3633 -20.3633 -20.3633 -6.4965 -6.4965 -6.4965 -6.4965 -3.8648 -3.8648 -3.8648 -3.8648 -2.9835 -2.9835 -2.9835 -2.9835 2.3736 2.3736 2.3736 2.3736 3.6516 3.6516 3.6516 3.6516 4.2509 4.2509 4.2509 4.2509 4.7327 4.7327 4.7327 4.7327 5.0873 5.0873 5.0873 5.0873 5.8467 5.8467 5.8467 5.8467 6.1239 6.1239 6.1239 6.1239 6.8090 6.8090 6.8090 6.8090 9.3702 9.3702 9.3702 9.3702 11.2914 11.2914 11.2914 11.2914 11.7275 11.7275 11.7275 11.7275 k = 0.4886 0.3530-0.0457 ( 6126 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1336 -28.1336 -28.1334 -28.1334 -20.5274 -20.5274 -20.5264 -20.5264 -20.3635 -20.3635 -20.3633 -20.3633 -6.5012 -6.5012 -6.4926 -6.4926 -3.8678 -3.8678 -3.8637 -3.8637 -2.9872 -2.9872 -2.9801 -2.9801 2.3706 2.3706 2.3809 2.3809 3.6400 3.6400 3.6627 3.6627 4.2440 4.2440 4.2595 4.2595 4.7278 4.7278 4.7391 4.7391 5.0834 5.0834 5.0897 5.0897 5.8395 5.8395 5.8529 5.8529 6.1213 6.1213 6.1294 6.1294 6.8038 6.8038 6.8144 6.8144 9.3657 9.3657 9.3744 9.3744 11.2784 11.2784 11.3022 11.3022 11.7226 11.7226 11.7362 11.7362 k = 0.4773 0.3530-0.0457 ( 6126 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1336 -28.1336 -28.1332 -28.1332 -20.5275 -20.5275 -20.5255 -20.5255 -20.3636 -20.3636 -20.3632 -20.3632 -6.5067 -6.5067 -6.4895 -6.4895 -3.8726 -3.8726 -3.8646 -3.8646 -2.9909 -2.9909 -2.9769 -2.9769 2.3721 2.3721 2.3926 2.3926 3.6280 3.6280 3.6731 3.6731 4.2389 4.2389 4.2699 4.2699 4.7243 4.7243 4.7468 4.7468 5.0782 5.0782 5.0907 5.0907 5.8314 5.8314 5.8581 5.8581 6.1216 6.1216 6.1375 6.1375 6.7990 6.7990 6.8203 6.8203 9.3607 9.3607 9.3782 9.3782 11.2636 11.2636 11.3101 11.3101 11.7212 11.7212 11.7479 11.7479 k = 0.4659 0.3530-0.0457 ( 6134 PWs) bands (ev): -53.8080 -53.8080 -53.8080 -53.8080 -28.1336 -28.1336 -28.1330 -28.1330 -20.5274 -20.5274 -20.5243 -20.5243 -20.3638 -20.3638 -20.3632 -20.3632 -6.5130 -6.5130 -6.4873 -6.4873 -3.8793 -3.8793 -3.8673 -3.8673 -2.9948 -2.9948 -2.9739 -2.9739 2.3779 2.3779 2.4086 2.4086 3.6157 3.6157 3.6830 3.6830 4.2354 4.2354 4.2819 4.2819 4.7222 4.7222 4.7557 4.7557 5.0716 5.0716 5.0907 5.0907 5.8223 5.8223 5.8623 5.8623 6.1250 6.1250 6.1481 6.1481 6.7946 6.7946 6.8265 6.8265 9.3553 9.3553 9.3817 9.3817 11.2481 11.2481 11.3151 11.3151 11.7225 11.7225 11.7614 11.7614 k = 0.4545 0.3530-0.0457 ( 6134 PWs) bands (ev): -53.8080 -53.8080 -53.8080 -53.8080 -28.1335 -28.1335 -28.1327 -28.1327 -20.5269 -20.5269 -20.5228 -20.5228 -20.3641 -20.3641 -20.3633 -20.3633 -6.5201 -6.5201 -6.4859 -6.4859 -3.8876 -3.8876 -3.8718 -3.8718 -2.9989 -2.9989 -2.9712 -2.9712 2.3880 2.3880 2.4287 2.4287 3.6033 3.6033 3.6923 3.6923 4.2333 4.2333 4.2953 4.2953 4.7214 4.7214 4.7655 4.7655 5.0640 5.0640 5.0900 5.0900 5.8126 5.8126 5.8657 5.8657 6.1317 6.1317 6.1610 6.1610 6.7904 6.7904 6.8331 6.8331 9.3496 9.3496 9.3847 9.3847 11.2325 11.2325 11.3176 11.3176 11.7246 11.7246 11.7748 11.7748 k = 0.4432 0.3530-0.0457 ( 6142 PWs) bands (ev): -53.8080 -53.8080 -53.8080 -53.8080 -28.1334 -28.1334 -28.1324 -28.1324 -20.5262 -20.5262 -20.5211 -20.5211 -20.3644 -20.3644 -20.3634 -20.3634 -6.5279 -6.5279 -6.4854 -6.4854 -3.8976 -3.8976 -3.8781 -3.8781 -3.0032 -3.0032 -2.9688 -2.9688 2.4024 2.4024 2.4530 2.4530 3.5908 3.5908 3.7010 3.7010 4.2324 4.2324 4.3099 4.3099 4.7216 4.7216 4.7761 4.7761 5.0557 5.0557 5.0891 5.0891 5.8023 5.8023 5.8685 5.8685 6.1415 6.1415 6.1761 6.1761 6.7866 6.7866 6.8400 6.8400 9.3434 9.3434 9.3874 9.3874 11.2176 11.2176 11.3180 11.3180 11.7252 11.7252 11.7857 11.7857 k = 0.4318 0.3530-0.0457 ( 6142 PWs) bands (ev): -53.8081 -53.8081 -53.8081 -53.8081 -28.1332 -28.1332 -28.1321 -28.1321 -20.5251 -20.5251 -20.5191 -20.5191 -20.3647 -20.3647 -20.3635 -20.3635 -6.5365 -6.5365 -6.4858 -6.4858 -3.9090 -3.9090 -3.8861 -3.8861 -3.0077 -3.0077 -2.9668 -2.9668 2.4210 2.4210 2.4812 2.4812 3.5784 3.5784 3.7093 3.7093 4.2324 4.2324 4.3252 4.3252 4.7224 4.7224 4.7870 4.7870 5.0473 5.0473 5.0885 5.0885 5.7917 5.7917 5.8706 5.8706 6.1545 6.1545 6.1931 6.1931 6.7831 6.7831 6.8473 6.8473 9.3368 9.3368 9.3896 9.3896 11.2040 11.2040 11.3171 11.3171 11.7213 11.7213 11.7909 11.7909 k = 0.4205 0.3530-0.0457 ( 6144 PWs) bands (ev): -53.8082 -53.8082 -53.8082 -53.8082 -28.1330 -28.1330 -28.1317 -28.1317 -20.5239 -20.5239 -20.5169 -20.5169 -20.3650 -20.3650 -20.3636 -20.3636 -6.5458 -6.5458 -6.4870 -6.4870 -3.9218 -3.9218 -3.8957 -3.8957 -3.0124 -3.0124 -2.9652 -2.9652 2.4435 2.4435 2.5131 2.5131 3.5664 3.5664 3.7173 3.7173 4.2327 4.2327 4.3408 4.3408 4.7236 4.7236 4.7979 4.7979 5.0394 5.0394 5.0890 5.0890 5.7812 5.7812 5.8725 5.8725 6.1707 6.1707 6.2120 6.2120 6.7799 6.7799 6.8549 6.8549 9.3297 9.3297 9.3914 9.3914 11.1921 11.1921 11.3152 11.3152 11.7100 11.7100 11.7877 11.7877 k = 0.4091 0.3530-0.0457 ( 6142 PWs) bands (ev): -53.8082 -53.8082 -53.8082 -53.8082 -28.1327 -28.1327 -28.1312 -28.1312 -20.5223 -20.5223 -20.5144 -20.5144 -20.3653 -20.3653 -20.3638 -20.3638 -6.5557 -6.5557 -6.4891 -6.4891 -3.9358 -3.9358 -3.9066 -3.9066 -3.0173 -3.0173 -2.9641 -2.9641 2.4699 2.4699 2.5486 2.5486 3.5547 3.5547 3.7252 3.7252 4.2332 4.2332 4.3561 4.3561 4.7244 4.7244 4.8084 4.8084 5.0330 5.0330 5.0913 5.0913 5.7710 5.7710 5.8742 5.8742 6.1899 6.1899 6.2326 6.2326 6.7770 6.7770 6.8628 6.8628 9.3221 9.3221 9.3928 9.3928 11.1821 11.1821 11.3129 11.3129 11.6895 11.6895 11.7736 11.7736 k = 0.3977 0.3530-0.0457 ( 6152 PWs) bands (ev): -53.8083 -53.8083 -53.8083 -53.8083 -28.1324 -28.1324 -28.1307 -28.1307 -20.5206 -20.5206 -20.5118 -20.5118 -20.3657 -20.3657 -20.3639 -20.3639 -6.5663 -6.5663 -6.4921 -6.4921 -3.9509 -3.9509 -3.9189 -3.9189 -3.0226 -3.0226 -2.9635 -2.9635 2.5000 2.5000 2.5874 2.5874 3.5435 3.5435 3.7332 3.7332 4.2333 4.2333 4.3707 4.3707 4.7245 4.7245 4.8177 4.8177 5.0291 5.0291 5.0961 5.0961 5.7615 5.7615 5.8760 5.8760 6.2121 6.2121 6.2549 6.2549 6.7745 6.7745 6.8710 6.8710 9.3141 9.3141 9.3937 9.3937 11.1741 11.1741 11.3102 11.3102 11.6589 11.6589 11.7478 11.7478 k = 0.3864 0.3530-0.0457 ( 6150 PWs) bands (ev): -53.8084 -53.8084 -53.8084 -53.8084 -28.1320 -28.1320 -28.1302 -28.1302 -20.5186 -20.5186 -20.5090 -20.5090 -20.3661 -20.3661 -20.3641 -20.3641 -6.5775 -6.5775 -6.4959 -6.4959 -3.9668 -3.9668 -3.9323 -3.9323 -3.0281 -3.0281 -2.9634 -2.9634 2.5335 2.5335 2.6292 2.6292 3.5329 3.5329 3.7415 3.7415 4.2328 4.2328 4.3840 4.3840 4.7234 4.7234 4.8250 4.8250 5.0289 5.0289 5.1042 5.1042 5.7530 5.7530 5.8780 5.8780 6.2370 6.2370 6.2787 6.2787 6.7724 6.7724 6.8795 6.8795 9.3056 9.3056 9.3942 9.3942 11.1680 11.1680 11.3070 11.3070 11.6191 11.6191 11.7115 11.7115 k = 0.3750 0.3530-0.0457 ( 6154 PWs) bands (ev): -53.8085 -53.8085 -53.8085 -53.8085 -28.1316 -28.1316 -28.1296 -28.1296 -20.5164 -20.5164 -20.5060 -20.5060 -20.3664 -20.3664 -20.3643 -20.3643 -6.5893 -6.5893 -6.5005 -6.5005 -3.9835 -3.9835 -3.9466 -3.9466 -3.0340 -3.0340 -2.9639 -2.9639 2.5702 2.5702 2.6737 2.6737 3.5229 3.5229 3.7502 3.7502 4.2315 4.2315 4.3954 4.3954 4.7208 4.7208 4.8294 4.8294 5.0339 5.0339 5.1161 5.1161 5.7458 5.7458 5.8802 5.8802 6.2647 6.2647 6.3041 6.3041 6.7708 6.7708 6.8884 6.8884 9.2967 9.2967 9.3942 9.3942 11.1637 11.1637 11.3031 11.3031 11.5715 11.5715 11.6668 11.6668 k = 0.3636 0.3530-0.0457 ( 6156 PWs) bands (ev): -53.8086 -53.8086 -53.8086 -53.8086 -28.1311 -28.1311 -28.1290 -28.1290 -20.5140 -20.5140 -20.5028 -20.5028 -20.3668 -20.3668 -20.3645 -20.3645 -6.6016 -6.6016 -6.5060 -6.5060 -4.0007 -4.0007 -3.9618 -3.9618 -3.0402 -3.0402 -2.9649 -2.9649 2.6098 2.6098 2.7205 2.7205 3.5137 3.5137 3.7596 3.7596 4.2294 4.2294 4.4045 4.4045 4.7164 4.7164 4.8304 4.8304 5.0448 5.0448 5.1322 5.1322 5.7400 5.7400 5.8829 5.8829 6.2948 6.2948 6.3309 6.3309 6.7697 6.7697 6.8977 6.8977 9.2873 9.2873 9.3938 9.3938 11.1606 11.1606 11.2973 11.2973 11.5181 11.5181 11.6169 11.6169 k = 0.3523 0.3530-0.0457 ( 6156 PWs) bands (ev): -53.8087 -53.8087 -53.8087 -53.8087 -28.1306 -28.1306 -28.1284 -28.1284 -20.5114 -20.5114 -20.4996 -20.4996 -20.3671 -20.3671 -20.3646 -20.3646 -6.6144 -6.6144 -6.5123 -6.5123 -4.0183 -4.0183 -3.9777 -3.9777 -3.0468 -3.0468 -2.9666 -2.9666 2.6518 2.6518 2.7691 2.7691 3.5053 3.5053 3.7699 3.7699 4.2265 4.2265 4.4109 4.4109 4.7102 4.7102 4.8279 4.8279 5.0619 5.0619 5.1527 5.1527 5.7360 5.7360 5.8861 5.8861 6.3273 6.3273 6.3591 6.3591 6.7694 6.7694 6.9074 6.9074 9.2775 9.2775 9.3930 9.3930 11.1578 11.1578 11.2881 11.2881 11.4612 11.4612 11.5654 11.5654 k = 0.3409 0.3530-0.0457 ( 6156 PWs) bands (ev): -53.8088 -53.8088 -53.8088 -53.8088 -28.1300 -28.1300 -28.1277 -28.1277 -20.5087 -20.5087 -20.4962 -20.4962 -20.3674 -20.3674 -20.3647 -20.3647 -6.6277 -6.6277 -6.5193 -6.5193 -4.0362 -4.0362 -3.9941 -3.9941 -3.0538 -3.0538 -2.9688 -2.9688 2.6960 2.6960 2.8188 2.8188 3.4979 3.4979 3.7812 3.7812 4.2231 4.2231 4.4145 4.4145 4.7025 4.7025 4.8223 4.8223 5.0849 5.0849 5.1774 5.1774 5.7339 5.7339 5.8898 5.8898 6.3618 6.3618 6.3885 6.3885 6.7699 6.7699 6.9177 6.9177 9.2673 9.2673 9.3917 9.3917 11.1537 11.1537 11.2722 11.2722 11.4036 11.4036 11.5164 11.5164 k = 0.3295 0.3530-0.0457 ( 6162 PWs) bands (ev): -53.8089 -53.8089 -53.8089 -53.8089 -28.1295 -28.1295 -28.1271 -28.1271 -20.5059 -20.5059 -20.4928 -20.4928 -20.3676 -20.3676 -20.3648 -20.3648 -6.6414 -6.6414 -6.5271 -6.5271 -4.0543 -4.0543 -4.0109 -4.0109 -3.0610 -3.0610 -2.9716 -2.9716 2.7419 2.7419 2.8690 2.8690 3.4917 3.4917 3.7937 3.7937 4.2197 4.2197 4.4154 4.4154 4.6935 4.6935 4.8145 4.8145 5.1129 5.1129 5.2059 5.2059 5.7339 5.7339 5.8940 5.8940 6.3979 6.3979 6.4189 6.4189 6.7717 6.7717 6.9288 6.9288 9.2568 9.2568 9.3901 9.3901 11.1451 11.1451 11.2449 11.2449 11.3500 11.3500 11.4751 11.4751 k = 0.3182 0.3530-0.0457 ( 6166 PWs) bands (ev): -53.8091 -53.8091 -53.8091 -53.8091 -28.1289 -28.1289 -28.1264 -28.1264 -20.5029 -20.5029 -20.4894 -20.4894 -20.3678 -20.3678 -20.3649 -20.3649 -6.6554 -6.6554 -6.5356 -6.5356 -4.0724 -4.0724 -4.0280 -4.0280 -3.0687 -3.0687 -2.9749 -2.9749 2.7889 2.7889 2.9187 2.9187 3.4870 3.4870 3.8075 3.8075 4.2166 4.2166 4.4136 4.4136 4.6837 4.6837 4.8051 4.8051 5.1450 5.1450 5.2376 5.2376 5.7362 5.7362 5.8989 5.8989 6.4351 6.4351 6.4504 6.4504 6.7750 6.7750 6.9407 6.9407 9.2460 9.2460 9.3881 9.3881 11.1265 11.1265 11.2022 11.2022 11.3073 11.3073 11.4449 11.4449 k = 0.3068 0.3530-0.0457 ( 6168 PWs) bands (ev): -53.8092 -53.8092 -53.8092 -53.8092 -28.1282 -28.1282 -28.1257 -28.1257 -20.4999 -20.4999 -20.4859 -20.4859 -20.3679 -20.3679 -20.3649 -20.3649 -6.6698 -6.6698 -6.5447 -6.5447 -4.0903 -4.0903 -4.0451 -4.0451 -3.0766 -3.0766 -2.9788 -2.9788 2.8366 2.8366 2.9668 2.9668 3.4844 3.4844 3.8227 3.8227 4.2145 4.2145 4.4098 4.4098 4.6736 4.6736 4.7950 4.7950 5.1801 5.1801 5.2715 5.2715 5.7413 5.7413 5.9046 5.9046 6.4717 6.4717 6.4833 6.4833 6.7803 6.7803 6.9538 6.9538 9.2349 9.2349 9.3859 9.3859 11.0921 11.0921 11.1457 11.1457 11.2808 11.2808 11.4258 11.4258 k = 0.2955 0.3530-0.0457 ( 6178 PWs) bands (ev): -53.8093 -53.8093 -53.8093 -53.8093 -28.1276 -28.1276 -28.1250 -28.1250 -20.4969 -20.4969 -20.4825 -20.4825 -20.3679 -20.3679 -20.3648 -20.3648 -6.6844 -6.6844 -6.5545 -6.5545 -4.1081 -4.1081 -4.0624 -4.0624 -3.0848 -3.0848 -2.9832 -2.9832 2.8843 2.8843 3.0116 3.0116 3.4849 3.4849 3.8394 3.8394 4.2139 4.2139 4.4042 4.4042 4.6637 4.6637 4.7849 4.7849 5.2171 5.2171 5.3065 5.3065 5.7496 5.7496 5.9111 5.9111 6.5049 6.5049 6.5195 6.5195 6.7885 6.7885 6.9684 6.9684 9.2237 9.2237 9.3833 9.3833 11.0415 11.0415 11.0808 11.0808 11.2690 11.2690 11.4144 11.4144 k = 0.2841 0.3530-0.0457 ( 6182 PWs) bands (ev): -53.8095 -53.8095 -53.8095 -53.8095 -28.1269 -28.1269 -28.1243 -28.1243 -20.4938 -20.4938 -20.4791 -20.4791 -20.3678 -20.3678 -20.3647 -20.3647 -6.6992 -6.6992 -6.5648 -6.5648 -4.1255 -4.1255 -4.0795 -4.0795 -3.0932 -3.0932 -2.9880 -2.9880 2.9314 2.9314 3.0514 3.0514 3.4897 3.4897 3.8575 3.8575 4.2151 4.2151 4.3974 4.3974 4.6548 4.6548 4.7754 4.7754 5.2550 5.2550 5.3410 5.3410 5.7618 5.7618 5.9188 5.9188 6.5341 6.5341 6.5581 6.5581 6.8003 6.8003 6.9850 6.9850 9.2124 9.2124 9.3806 9.3806 10.9799 10.9799 11.0114 11.0114 11.2661 11.2661 11.4074 11.4074 k = 0.2727 0.3530-0.0457 ( 6190 PWs) bands (ev): -53.8096 -53.8096 -53.8096 -53.8096 -28.1263 -28.1263 -28.1236 -28.1236 -20.4907 -20.4907 -20.4758 -20.4758 -20.3676 -20.3676 -20.3645 -20.3645 -6.7142 -6.7142 -6.5756 -6.5756 -4.1425 -4.1425 -4.0965 -4.0965 -3.1019 -3.1019 -2.9933 -2.9933 2.9773 2.9773 3.0841 3.0841 3.5003 3.5003 3.8771 3.8771 4.2184 4.2184 4.3900 4.3900 4.6477 4.6477 4.7673 4.7673 5.2925 5.2925 5.3737 5.3737 5.7787 5.7787 5.9277 5.9277 6.5599 6.5599 6.5969 6.5969 6.8166 6.8166 7.0039 7.0039 9.2010 9.2010 9.3778 9.3778 10.9120 10.9120 10.9395 10.9395 11.2677 11.2677 11.4022 11.4022 k = 0.2614 0.3530-0.0457 ( 6186 PWs) bands (ev): -53.8098 -53.8098 -53.8097 -53.8097 -28.1255 -28.1255 -28.1228 -28.1228 -20.4876 -20.4876 -20.4727 -20.4727 -20.3672 -20.3672 -20.3641 -20.3641 -6.7292 -6.7292 -6.5869 -6.5869 -4.1591 -4.1591 -4.1132 -4.1132 -3.1106 -3.1106 -2.9989 -2.9989 3.0211 3.0211 3.1081 3.1081 3.5179 3.5179 3.8979 3.8979 4.2239 4.2239 4.3822 4.3822 4.6433 4.6433 4.7611 4.7611 5.3282 5.3282 5.4034 5.4034 5.8009 5.8009 5.9383 5.9383 6.5824 6.5824 6.6348 6.6348 6.8380 6.8380 7.0255 7.0255 9.1897 9.1897 9.3749 9.3749 10.8406 10.8406 10.8663 10.8663 11.2711 11.2711 11.3973 11.3973 k = 0.2500 0.3530-0.0457 ( 6184 PWs) bands (ev): -53.8099 -53.8099 -53.8099 -53.8099 -28.1248 -28.1248 -28.1221 -28.1221 -20.4845 -20.4845 -20.4696 -20.4696 -20.3667 -20.3667 -20.3636 -20.3636 -6.7442 -6.7442 -6.5985 -6.5985 -4.1751 -4.1751 -4.1296 -4.1296 -3.1195 -3.1195 -3.0048 -3.0048 3.0621 3.0621 3.1225 3.1225 3.5429 3.5429 3.9199 3.9199 4.2314 4.2314 4.3745 4.3745 4.6427 4.6427 4.7578 4.7578 5.3607 5.3607 5.4293 5.4293 5.8287 5.8287 5.9507 5.9507 6.6015 6.6015 6.6714 6.6714 6.8647 6.8647 7.0503 7.0503 9.1784 9.1784 9.3720 9.3720 10.7672 10.7672 10.7925 10.7925 11.2747 11.2747 11.3917 11.3917 k = 0.2386 0.3530-0.0457 ( 6176 PWs) bands (ev): -53.8100 -53.8100 -53.8100 -53.8100 -28.1240 -28.1240 -28.1213 -28.1213 -20.4815 -20.4815 -20.4668 -20.4668 -20.3660 -20.3660 -20.3630 -20.3630 -6.7592 -6.7592 -6.6103 -6.6103 -4.1905 -4.1905 -4.1456 -4.1456 -3.1285 -3.1285 -3.0109 -3.0109 3.0994 3.0994 3.1280 3.1280 3.5748 3.5748 3.9429 3.9429 4.2405 4.2405 4.3671 4.3671 4.6468 4.6468 4.7582 4.7582 5.3879 5.3879 5.4516 5.4516 5.8615 5.8615 5.9650 5.9650 6.6180 6.6180 6.7063 6.7063 6.8964 6.8964 7.0783 7.0783 9.1673 9.1673 9.3692 9.3692 10.6927 10.6927 10.7188 10.7188 11.2773 11.2773 11.3844 11.3844 k = 0.2273 0.3530-0.0457 ( 6172 PWs) bands (ev): -53.8102 -53.8102 -53.8102 -53.8102 -28.1233 -28.1233 -28.1206 -28.1206 -20.4786 -20.4786 -20.4641 -20.4641 -20.3651 -20.3651 -20.3623 -20.3623 -6.7741 -6.7741 -6.6224 -6.6224 -4.2052 -4.2052 -4.1611 -4.1611 -3.1375 -3.1375 -3.0173 -3.0173 3.1219 3.1219 3.1365 3.1365 3.6119 3.6119 3.9665 3.9665 4.2505 4.2505 4.3603 4.3603 4.6565 4.6565 4.7632 4.7632 5.4084 5.4084 5.4710 5.4710 5.8982 5.8982 5.9813 5.9813 6.6332 6.6332 6.7398 6.7398 6.9321 6.9321 7.1095 7.1095 9.1564 9.1564 9.3665 9.3665 10.6178 10.6178 10.6455 10.6455 11.2782 11.2782 11.3750 11.3750 k = 0.2159 0.3530-0.0457 ( 6176 PWs) bands (ev): -53.8103 -53.8103 -53.8103 -53.8103 -28.1226 -28.1226 -28.1199 -28.1199 -20.4759 -20.4759 -20.4617 -20.4617 -20.3641 -20.3641 -20.3615 -20.3615 -6.7887 -6.7887 -6.6347 -6.6347 -4.2192 -4.2192 -4.1761 -4.1761 -3.1464 -3.1464 -3.0237 -3.0237 3.1144 3.1144 3.1643 3.1643 3.6526 3.6526 3.9907 3.9907 4.2603 4.2603 4.3543 4.3543 4.6727 4.6727 4.7736 4.7736 5.4215 5.4215 5.4883 5.4883 5.9369 5.9369 5.9992 5.9992 6.6485 6.6485 6.7725 6.7725 6.9708 6.9708 7.1434 7.1434 9.1457 9.1457 9.3639 9.3639 10.5428 10.5428 10.5727 10.5727 11.2765 11.2765 11.3629 11.3629 k = 0.2045 0.3530-0.0457 ( 6176 PWs) bands (ev): -53.8104 -53.8104 -53.8104 -53.8104 -28.1218 -28.1218 -28.1192 -28.1192 -20.4733 -20.4733 -20.4595 -20.4595 -20.3630 -20.3630 -20.3605 -20.3605 -6.8031 -6.8031 -6.6469 -6.6469 -4.2325 -4.2325 -4.1906 -4.1906 -3.1552 -3.1552 -3.0303 -3.0303 3.1008 3.1008 3.1889 3.1889 3.6952 3.6952 4.0152 4.0152 4.2690 4.2690 4.3497 4.3497 4.6956 4.6956 4.7902 4.7902 5.4278 5.4278 5.5029 5.5029 5.9754 5.9754 6.0182 6.0182 6.6655 6.6655 6.8052 6.8052 7.0114 7.0114 7.1796 7.1796 9.1353 9.1353 9.3615 9.3615 10.4681 10.4681 10.5007 10.5007 11.2718 11.2718 11.3478 11.3478 k = 0.1932 0.3530-0.0457 ( 6176 PWs) bands (ev): -53.8106 -53.8106 -53.8106 -53.8106 -28.1211 -28.1211 -28.1185 -28.1185 -20.4708 -20.4708 -20.4575 -20.4575 -20.3617 -20.3617 -20.3595 -20.3595 -6.8172 -6.8172 -6.6592 -6.6592 -4.2451 -4.2451 -4.2044 -4.2044 -3.1639 -3.1639 -3.0369 -3.0369 3.0837 3.0837 3.2089 3.2089 3.7384 3.7384 4.0397 4.0397 4.2754 4.2754 4.3473 4.3473 4.7250 4.7250 4.8134 4.8134 5.4288 5.4288 5.5143 5.5143 6.0110 6.0110 6.0379 6.0379 6.6856 6.6856 6.8390 6.8390 7.0531 7.0531 7.2173 7.2173 9.1253 9.1253 9.3593 9.3593 10.3942 10.3942 10.4298 10.4298 11.2634 11.2634 11.3295 11.3295 k = 0.1818 0.3530-0.0457 ( 6176 PWs) bands (ev): -53.8107 -53.8107 -53.8107 -53.8107 -28.1204 -28.1204 -28.1179 -28.1179 -20.4685 -20.4685 -20.4558 -20.4558 -20.3602 -20.3602 -20.3583 -20.3583 -6.8309 -6.8309 -6.6713 -6.6713 -4.2569 -4.2569 -4.2177 -4.2177 -3.1723 -3.1723 -3.0434 -3.0434 3.0643 3.0643 3.2243 3.2243 3.7813 3.7813 4.0640 4.0640 4.2789 4.2789 4.3479 4.3479 4.7607 4.7607 4.8433 4.8433 5.4257 5.4257 5.5221 5.5221 6.0406 6.0406 6.0586 6.0586 6.7101 6.7101 6.8749 6.8749 7.0951 7.0951 7.2557 7.2557 9.1156 9.1156 9.3574 9.3574 10.3214 10.3214 10.3600 10.3600 11.2511 11.2511 11.3079 11.3079 k = 0.1705 0.3530-0.0457 ( 6174 PWs) bands (ev): -53.8108 -53.8108 -53.8108 -53.8108 -28.1197 -28.1197 -28.1173 -28.1173 -20.4664 -20.4664 -20.4543 -20.4543 -20.3587 -20.3587 -20.3571 -20.3571 -6.8442 -6.8442 -6.6832 -6.6832 -4.2679 -4.2679 -4.2303 -4.2303 -3.1805 -3.1805 -3.0499 -3.0499 3.0435 3.0435 3.2352 3.2352 3.8230 3.8230 4.0876 4.0876 4.2802 4.2802 4.3517 4.3517 4.8019 4.8019 4.8791 4.8791 5.4195 5.4195 5.5263 5.5263 6.0614 6.0614 6.0805 6.0805 6.7395 6.7395 6.9139 6.9139 7.1368 7.1368 7.2942 7.2942 9.1062 9.1062 9.3556 9.3556 10.2500 10.2500 10.2916 10.2916 11.2346 11.2346 11.2830 11.2830 k = 0.1591 0.3530-0.0457 ( 6176 PWs) bands (ev): -53.8110 -53.8110 -53.8109 -53.8109 -28.1190 -28.1190 -28.1167 -28.1167 -20.4644 -20.4644 -20.4530 -20.4530 -20.3570 -20.3570 -20.3557 -20.3557 -6.8569 -6.8569 -6.6948 -6.6948 -4.2781 -4.2781 -4.2422 -4.2422 -3.1884 -3.1884 -3.0562 -3.0562 3.0219 3.0219 3.2422 3.2422 3.8627 3.8627 4.1096 4.1096 4.2811 4.2811 4.3584 4.3584 4.8476 4.8476 4.9202 4.9202 5.4110 5.4110 5.5271 5.5271 6.0756 6.0756 6.1001 6.1001 6.7739 6.7739 6.9563 6.9563 7.1778 7.1778 7.3320 7.3320 9.0973 9.0973 9.3540 9.3540 10.1802 10.1802 10.2248 10.2248 11.2136 11.2136 11.2552 11.2552 k = 0.1477 0.3530-0.0457 ( 6168 PWs) bands (ev): -53.8111 -53.8111 -53.8110 -53.8110 -28.1183 -28.1183 -28.1162 -28.1162 -20.4626 -20.4626 -20.4520 -20.4520 -20.3553 -20.3553 -20.3543 -20.3543 -6.8690 -6.8690 -6.7060 -6.7060 -4.2875 -4.2875 -4.2534 -4.2534 -3.1960 -3.1960 -3.0622 -3.0622 3.0002 3.0002 3.2456 3.2456 3.8999 3.8999 4.1288 4.1288 4.2839 4.2839 4.3677 4.3677 4.8967 4.8967 4.9650 4.9650 5.4006 5.4006 5.5251 5.5251 6.0853 6.0853 6.1146 6.1146 6.8126 6.8126 7.0024 7.0024 7.2179 7.2179 7.3686 7.3686 9.0887 9.0887 9.3525 9.3525 10.1125 10.1125 10.1599 10.1599 11.1882 11.1882 11.2250 11.2250 k = 0.1364 0.3530-0.0457 ( 6166 PWs) bands (ev): -53.8112 -53.8112 -53.8112 -53.8112 -28.1177 -28.1177 -28.1156 -28.1156 -20.4609 -20.4609 -20.4511 -20.4511 -20.3536 -20.3536 -20.3528 -20.3528 -6.8805 -6.8805 -6.7168 -6.7168 -4.2960 -4.2960 -4.2639 -4.2639 -3.2032 -3.2032 -3.0681 -3.0681 2.9787 2.9787 3.2462 3.2462 3.9339 3.9339 4.1436 4.1436 4.2908 4.2908 4.3797 4.3797 4.9480 4.9480 5.0123 5.0123 5.3888 5.3888 5.5208 5.5208 6.0913 6.0913 6.1238 6.1238 6.8541 6.8541 7.0518 7.0518 7.2570 7.2570 7.4034 7.4034 9.0806 9.0806 9.3510 9.3510 10.0472 10.0472 10.0971 10.0971 11.1585 11.1585 11.1930 11.1930 k = 0.1250 0.3530-0.0457 ( 6172 PWs) bands (ev): -53.8113 -53.8113 -53.8113 -53.8113 -28.1171 -28.1171 -28.1152 -28.1152 -20.4595 -20.4595 -20.4504 -20.4504 -20.3520 -20.3520 -20.3514 -20.3514 -6.8913 -6.8913 -6.7270 -6.7270 -4.3038 -4.3038 -4.2737 -4.2737 -3.2100 -3.2100 -3.0737 -3.0737 2.9578 2.9578 3.2445 3.2445 3.9641 3.9641 4.1529 4.1529 4.3035 4.3035 4.3947 4.3947 4.9998 4.9998 5.0605 5.0605 5.3762 5.3762 5.5149 5.5149 6.0940 6.0940 6.1283 6.1283 6.8967 6.8967 7.1040 7.1040 7.2952 7.2952 7.4362 7.4362 9.0728 9.0728 9.3494 9.3494 9.9847 9.9847 10.0369 10.0369 11.1251 11.1251 11.1598 11.1598 k = 0.1136 0.3530-0.0457 ( 6176 PWs) bands (ev): -53.8114 -53.8114 -53.8114 -53.8114 -28.1166 -28.1166 -28.1148 -28.1148 -20.4581 -20.4581 -20.4499 -20.4499 -20.3503 -20.3503 -20.3499 -20.3499 -6.9014 -6.9014 -6.7367 -6.7367 -4.3108 -4.3108 -4.2828 -4.2828 -3.2163 -3.2163 -3.0789 -3.0789 2.9379 2.9379 3.2410 3.2410 3.9900 3.9900 4.1569 4.1569 4.3219 4.3219 4.4129 4.4129 5.0502 5.0502 5.1083 5.1083 5.3632 5.3632 5.5084 5.5084 6.0939 6.0939 6.1291 6.1291 6.9384 6.9384 7.1583 7.1583 7.3324 7.3324 7.4667 7.4667 9.0655 9.0655 9.3476 9.3476 9.9254 9.9254 9.9795 9.9795 11.0892 11.0892 11.1257 11.1257 k = 0.1023 0.3530-0.0457 ( 6172 PWs) bands (ev): -53.8115 -53.8115 -53.8114 -53.8114 -28.1160 -28.1160 -28.1144 -28.1144 -20.4569 -20.4569 -20.4496 -20.4496 -20.3487 -20.3487 -20.3484 -20.3484 -6.9106 -6.9106 -6.7456 -6.7456 -4.3170 -4.3170 -4.2911 -4.2911 -3.2221 -3.2221 -3.0837 -3.0837 2.9192 2.9192 3.2363 3.2363 4.0116 4.0116 4.1571 4.1571 4.3447 4.3447 4.4342 4.4342 5.0966 5.0966 5.1545 5.1545 5.3507 5.3507 5.5025 5.5025 6.0915 6.0915 6.1274 6.1274 6.9774 6.9774 7.2134 7.2134 7.3687 7.3687 7.4948 7.4948 9.0587 9.0587 9.3456 9.3456 9.8697 9.8697 9.9254 9.9254 11.0520 11.0520 11.0910 11.0910 k = 0.0909 0.3530-0.0457 ( 6176 PWs) bands (ev): -53.8115 -53.8115 -53.8115 -53.8115 -28.1156 -28.1156 -28.1141 -28.1141 -20.4559 -20.4559 -20.4493 -20.4493 -20.3473 -20.3473 -20.3470 -20.3470 -6.9190 -6.9190 -6.7538 -6.7538 -4.3224 -4.3224 -4.2986 -4.2986 -3.2273 -3.2273 -3.0882 -3.0882 2.9020 2.9020 3.2309 3.2309 4.0290 4.0290 4.1548 4.1548 4.3700 4.3700 4.4583 4.4583 5.1361 5.1361 5.1974 5.1974 5.3403 5.3403 5.4985 5.4985 6.0875 6.0875 6.1242 6.1242 7.0123 7.0123 7.2681 7.2681 7.4038 7.4038 7.5207 7.5207 9.0523 9.0523 9.3432 9.3432 9.8181 9.8181 9.8751 9.8751 11.0150 11.0150 11.0564 11.0564 k = 0.0795 0.3530-0.0457 ( 6174 PWs) bands (ev): -53.8116 -53.8116 -53.8116 -53.8116 -28.1151 -28.1151 -28.1138 -28.1138 -20.4549 -20.4549 -20.4492 -20.4492 -20.3460 -20.3460 -20.3457 -20.3457 -6.9265 -6.9265 -6.7612 -6.7612 -4.3271 -4.3271 -4.3054 -4.3054 -3.2320 -3.2320 -3.0921 -3.0921 2.8863 2.8863 3.2253 3.2253 4.0425 4.0425 4.1512 4.1512 4.3962 4.3962 4.4846 4.4846 5.1657 5.1657 5.2335 5.2335 5.3357 5.3357 5.4979 5.4979 6.0822 6.0822 6.1203 6.1203 7.0420 7.0420 7.3212 7.3212 7.4370 7.4370 7.5447 7.5447 9.0464 9.0464 9.3404 9.3404 9.7711 9.7711 9.8289 9.8289 10.9794 10.9794 11.0226 11.0226 k = 0.0682 0.3530-0.0457 ( 6178 PWs) bands (ev): -53.8117 -53.8117 -53.8117 -53.8117 -28.1147 -28.1147 -28.1136 -28.1136 -20.4541 -20.4541 -20.4492 -20.4492 -20.3448 -20.3448 -20.3445 -20.3445 -6.9331 -6.9331 -6.7677 -6.7677 -4.3310 -4.3310 -4.3114 -4.3114 -3.2362 -3.2362 -3.0957 -3.0957 2.8725 2.8725 3.2196 3.2196 4.0527 4.0527 4.1471 4.1471 4.4221 4.4221 4.5119 4.5119 5.1838 5.1838 5.2553 5.2553 5.3441 5.3441 5.5015 5.5015 6.0762 6.0762 6.1167 6.1167 7.0663 7.0663 7.3712 7.3712 7.4671 7.4671 7.5672 7.5672 9.0411 9.0411 9.3372 9.3372 9.7290 9.7290 9.7875 9.7875 10.9463 10.9463 10.9904 10.9904 k = 0.0568 0.3530-0.0457 ( 6190 PWs) bands (ev): -53.8117 -53.8117 -53.8117 -53.8117 -28.1144 -28.1144 -28.1134 -28.1134 -20.4533 -20.4533 -20.4493 -20.4493 -20.3438 -20.3438 -20.3435 -20.3435 -6.9387 -6.9387 -6.7733 -6.7733 -4.3341 -4.3341 -4.3166 -4.3166 -3.2397 -3.2397 -3.0987 -3.0987 2.8606 2.8606 3.2144 3.2144 4.0603 4.0603 4.1431 4.1431 4.4464 4.4464 4.5391 4.5391 5.1911 5.1911 5.2607 5.2607 5.3668 5.3668 5.5090 5.5090 6.0699 6.0699 6.1137 6.1137 7.0852 7.0852 7.4167 7.4167 7.4928 7.4928 7.5887 7.5887 9.0365 9.0365 9.3337 9.3337 9.6924 9.6924 9.7514 9.7514 10.9167 10.9167 10.9609 10.9609 k = 0.0455 0.3530-0.0457 ( 6194 PWs) bands (ev): -53.8118 -53.8118 -53.8118 -53.8118 -28.1141 -28.1141 -28.1133 -28.1133 -20.4527 -20.4527 -20.4494 -20.4494 -20.3429 -20.3429 -20.3426 -20.3426 -6.9434 -6.9434 -6.7779 -6.7779 -4.3366 -4.3366 -4.3210 -4.3210 -3.2426 -3.2426 -3.1012 -3.1012 2.8507 2.8507 3.2097 3.2097 4.0657 4.0657 4.1395 4.1395 4.4680 4.4680 4.5648 4.5648 5.1901 5.1901 5.2580 5.2580 5.3943 5.3943 5.5188 5.5188 6.0638 6.0638 6.1115 6.1115 7.0994 7.0994 7.4563 7.4563 7.5131 7.5131 7.6091 7.6091 9.0325 9.0325 9.3301 9.3301 9.6617 9.6617 9.7212 9.7212 10.8914 10.8914 10.9350 10.9350 k = 0.0341 0.3530-0.0457 ( 6196 PWs) bands (ev): -53.8118 -53.8118 -53.8118 -53.8118 -28.1138 -28.1138 -28.1132 -28.1132 -20.4521 -20.4521 -20.4496 -20.4496 -20.3422 -20.3422 -20.3419 -20.3419 -6.9470 -6.9470 -6.7816 -6.7816 -4.3384 -4.3384 -4.3245 -4.3245 -3.2449 -3.2449 -3.1032 -3.1032 2.8429 2.8429 3.2059 3.2059 4.0694 4.0694 4.1365 4.1365 4.4860 4.4860 4.5873 4.5873 5.1845 5.1845 5.2530 5.2530 5.4193 5.4193 5.5290 5.5290 6.0585 6.0585 6.1102 6.1102 7.1093 7.1093 7.4888 7.4888 7.5278 7.5278 7.6274 7.6274 9.0293 9.0293 9.3268 9.3268 9.6373 9.6373 9.6972 9.6972 10.8711 10.8711 10.9136 10.9136 k = 0.0227 0.3530-0.0457 ( 6196 PWs) bands (ev): -53.8118 -53.8118 -53.8118 -53.8118 -28.1136 -28.1136 -28.1132 -28.1132 -20.4516 -20.4516 -20.4498 -20.4498 -20.3416 -20.3416 -20.3414 -20.3414 -6.9496 -6.9496 -6.7842 -6.7842 -4.3397 -4.3397 -4.3270 -4.3270 -3.2466 -3.2466 -3.1046 -3.1046 2.8373 2.8373 3.2031 3.2031 4.0718 4.0718 4.1342 4.1342 4.4995 4.4995 4.6050 4.6050 5.1779 5.1779 5.2483 5.2483 5.4386 5.4386 5.5376 5.5376 6.0544 6.0544 6.1094 6.1094 7.1159 7.1159 7.5132 7.5132 7.5371 7.5371 7.6420 7.6420 9.0269 9.0269 9.3240 9.3240 9.6196 9.6196 9.6799 9.6799 10.8563 10.8563 10.8978 10.8978 k = 0.0114 0.3530-0.0457 ( 6194 PWs) bands (ev): -53.8119 -53.8119 -53.8118 -53.8118 -28.1135 -28.1135 -28.1132 -28.1132 -20.4511 -20.4511 -20.4501 -20.4501 -20.3413 -20.3413 -20.3412 -20.3412 -6.9512 -6.9512 -6.7858 -6.7858 -4.3404 -4.3404 -4.3286 -4.3286 -3.2475 -3.2475 -3.1054 -3.1054 2.8339 2.8339 3.2014 3.2014 4.0732 4.0732 4.1328 4.1328 4.5079 4.5079 4.6164 4.6164 5.1728 5.1728 5.2450 5.2450 5.4507 5.4507 5.5432 5.5432 6.0518 6.0518 6.1091 6.1091 7.1195 7.1195 7.5290 7.5290 7.5417 7.5417 7.6515 7.6515 9.0255 9.0255 9.3221 9.3221 9.6088 9.6088 9.6694 9.6694 10.8473 10.8473 10.8879 10.8879 k = 0.0000 0.3530-0.0457 ( 6200 PWs) bands (ev): -53.8119 -53.8119 -53.8118 -53.8118 -28.1134 -28.1134 -28.1132 -28.1132 -20.4509 -20.4509 -20.4503 -20.4503 -20.3412 -20.3412 -20.3411 -20.3411 -6.9517 -6.9517 -6.7863 -6.7863 -4.3406 -4.3406 -4.3291 -4.3291 -3.2479 -3.2479 -3.1057 -3.1057 2.8328 2.8328 3.2008 3.2008 4.0737 4.0737 4.1323 4.1323 4.5108 4.5108 4.6203 4.6203 5.1709 5.1709 5.2438 5.2438 5.4548 5.4548 5.5452 5.5452 6.0509 6.0509 6.1090 6.1090 7.1207 7.1207 7.5349 7.5349 7.5425 7.5425 7.6548 7.6548 9.0250 9.0250 9.3215 9.3215 9.6052 9.6052 9.6659 9.6659 10.8443 10.8443 10.8846 10.8846 k = 0.0000 0.3530-0.0457 ( 6200 PWs) bands (ev): -53.8119 -53.8119 -53.8118 -53.8118 -28.1134 -28.1134 -28.1132 -28.1132 -20.4509 -20.4509 -20.4503 -20.4503 -20.3412 -20.3412 -20.3411 -20.3411 -6.9517 -6.9517 -6.7863 -6.7863 -4.3406 -4.3406 -4.3291 -4.3291 -3.2479 -3.2479 -3.1057 -3.1057 2.8328 2.8328 3.2008 3.2008 4.0737 4.0737 4.1323 4.1323 4.5108 4.5108 4.6203 4.6203 5.1709 5.1709 5.2438 5.2438 5.4548 5.4548 5.5452 5.5452 6.0509 6.0509 6.1090 6.1090 7.1207 7.1207 7.5349 7.5349 7.5425 7.5425 7.6548 7.6548 9.0250 9.0250 9.3215 9.3215 9.6052 9.6052 9.6659 9.6659 10.8443 10.8443 10.8846 10.8846 k = 0.0000 0.3545-0.0345 ( 6193 PWs) bands (ev): -53.8119 -53.8119 -53.8118 -53.8118 -28.1134 -28.1134 -28.1132 -28.1132 -20.4509 -20.4509 -20.4502 -20.4502 -20.3412 -20.3412 -20.3410 -20.3410 -6.9516 -6.9516 -6.7864 -6.7864 -4.3411 -4.3411 -4.3289 -4.3289 -3.2476 -3.2476 -3.1054 -3.1054 2.8302 2.8302 3.2018 3.2018 4.0730 4.0730 4.1319 4.1319 4.5107 4.5107 4.6202 4.6202 5.1698 5.1698 5.2489 5.2489 5.4555 5.4555 5.5473 5.5473 6.0515 6.0515 6.1093 6.1093 7.1165 7.1165 7.5334 7.5334 7.5423 7.5423 7.6538 7.6538 9.0257 9.0257 9.3204 9.3204 9.6061 9.6061 9.6661 9.6661 10.8435 10.8435 10.8858 10.8858 k = 0.0000 0.3559-0.0234 ( 6191 PWs) bands (ev): -53.8119 -53.8119 -53.8118 -53.8118 -28.1134 -28.1134 -28.1131 -28.1131 -20.4510 -20.4510 -20.4502 -20.4502 -20.3413 -20.3413 -20.3409 -20.3409 -6.9514 -6.9514 -6.7867 -6.7867 -4.3426 -4.3426 -4.3283 -4.3283 -3.2468 -3.2468 -3.1047 -3.1047 2.8228 2.8228 3.2045 3.2045 4.0711 4.0711 4.1306 4.1306 4.5105 4.5105 4.6199 4.6199 5.1682 5.1682 5.2621 5.2621 5.4573 5.4573 5.5537 5.5537 6.0533 6.0533 6.1103 6.1103 7.1041 7.1041 7.5293 7.5293 7.5414 7.5414 7.6507 7.6507 9.0275 9.0275 9.3175 9.3175 9.6085 9.6085 9.6668 9.6668 10.8414 10.8414 10.8892 10.8892 k = 0.0000 0.3573-0.0122 ( 6187 PWs) bands (ev): -53.8119 -53.8119 -53.8118 -53.8118 -28.1134 -28.1134 -28.1131 -28.1131 -20.4510 -20.4510 -20.4501 -20.4501 -20.3414 -20.3414 -20.3409 -20.3409 -6.9509 -6.9509 -6.7872 -6.7872 -4.3448 -4.3448 -4.3276 -4.3276 -3.2454 -3.2454 -3.1034 -3.1034 2.8111 2.8111 3.2084 3.2084 4.0680 4.0680 4.1285 4.1285 4.5101 4.5101 4.6194 4.6194 5.1689 5.1689 5.2797 5.2797 5.4603 5.4603 5.5651 5.5651 6.0562 6.0562 6.1118 6.1118 7.0839 7.0839 7.5232 7.5232 7.5389 7.5389 7.6457 7.6457 9.0304 9.0304 9.3132 9.3132 9.6120 9.6120 9.6681 9.6681 10.8387 10.8387 10.8939 10.8939 k = 0.0000 0.3588-0.0010 ( 6183 PWs) bands (ev): -53.8119 -53.8119 -53.8118 -53.8118 -28.1134 -28.1134 -28.1131 -28.1131 -20.4511 -20.4511 -20.4500 -20.4500 -20.3414 -20.3414 -20.3408 -20.3408 -6.9504 -6.9504 -6.7878 -6.7878 -4.3476 -4.3476 -4.3267 -4.3267 -3.2437 -3.2437 -3.1017 -3.1017 2.7962 2.7962 3.2126 3.2126 4.0640 4.0640 4.1259 4.1259 4.5097 4.5097 4.6187 4.6187 5.1736 5.1736 5.2983 5.2983 5.4642 5.4642 5.5825 5.5825 6.0602 6.0602 6.1140 6.1140 7.0567 7.0567 7.5153 7.5153 7.5349 7.5349 7.6386 7.6386 9.0341 9.0341 9.3082 9.3082 9.6162 9.6162 9.6699 9.6699 10.8361 10.8361 10.8993 10.8993 k = 0.0000 0.3602 0.0101 ( 6185 PWs) bands (ev): -53.8119 -53.8119 -53.8118 -53.8118 -28.1135 -28.1135 -28.1131 -28.1131 -20.4512 -20.4512 -20.4499 -20.4499 -20.3415 -20.3415 -20.3408 -20.3408 -6.9497 -6.9497 -6.7886 -6.7886 -4.3510 -4.3510 -4.3257 -4.3257 -3.2415 -3.2415 -3.0996 -3.0996 2.7789 2.7789 3.2165 3.2165 4.0591 4.0591 4.1228 4.1228 4.5091 4.5091 4.6178 4.6178 5.1829 5.1829 5.3155 5.3155 5.4696 5.4696 5.6060 5.6060 6.0652 6.0652 6.1167 6.1167 7.0233 7.0233 7.5051 7.5051 7.5297 7.5297 7.6297 7.6297 9.0382 9.0382 9.3032 9.3032 9.6204 9.6204 9.6724 9.6724 10.8339 10.8339 10.9050 10.9050 k = 0.0000 0.3617 0.0213 ( 6188 PWs) bands (ev): -53.8119 -53.8119 -53.8118 -53.8118 -28.1135 -28.1135 -28.1131 -28.1131 -20.4512 -20.4512 -20.4499 -20.4499 -20.3415 -20.3415 -20.3407 -20.3407 -6.9490 -6.9490 -6.7894 -6.7894 -4.3549 -4.3549 -4.3245 -4.3245 -3.2390 -3.2390 -3.0970 -3.0970 2.7604 2.7604 3.2193 3.2193 4.0536 4.0536 4.1195 4.1195 4.5084 4.5084 4.6168 4.6168 5.1969 5.1969 5.3294 5.3294 5.4775 5.4775 5.6355 5.6355 6.0711 6.0711 6.1199 6.1199 6.9848 6.9848 7.4919 7.4919 7.5238 7.5238 7.6191 7.6191 9.0422 9.0422 9.2989 9.2989 9.6243 9.6243 9.6753 9.6753 10.8323 10.8323 10.9109 10.9109 k = 0.0000 0.3631 0.0325 ( 6190 PWs) bands (ev): -53.8119 -53.8119 -53.8118 -53.8118 -28.1135 -28.1135 -28.1131 -28.1131 -20.4513 -20.4513 -20.4498 -20.4498 -20.3416 -20.3416 -20.3406 -20.3406 -6.9482 -6.9482 -6.7904 -6.7904 -4.3592 -4.3592 -4.3233 -4.3233 -3.2364 -3.2364 -3.0940 -3.0940 2.7413 2.7413 3.2206 3.2206 4.0477 4.0477 4.1164 4.1164 4.5077 4.5077 4.6157 4.6157 5.2149 5.2149 5.3387 5.3387 5.4892 5.4892 5.6699 5.6699 6.0775 6.0775 6.1237 6.1237 6.9424 6.9424 7.4752 7.4752 7.5179 7.5179 7.6073 7.6073 9.0459 9.0459 9.2959 9.2959 9.6277 9.6277 9.6786 9.6786 10.8312 10.8312 10.9167 10.9167 k = 0.0000 0.3646 0.0437 ( 6186 PWs) bands (ev): -53.8119 -53.8119 -53.8118 -53.8118 -28.1135 -28.1135 -28.1130 -28.1130 -20.4514 -20.4514 -20.4497 -20.4497 -20.3416 -20.3416 -20.3406 -20.3406 -6.9475 -6.9475 -6.7913 -6.7913 -4.3638 -4.3638 -4.3218 -4.3218 -3.2337 -3.2337 -3.0907 -3.0907 2.7225 2.7225 3.2200 3.2200 4.0416 4.0416 4.1135 4.1135 4.5069 4.5069 4.6146 4.6146 5.2359 5.2359 5.3430 5.3430 5.5056 5.5056 5.7075 5.7075 6.0843 6.0843 6.1282 6.1282 6.8976 6.8976 7.4546 7.4546 7.5123 7.5123 7.5945 7.5945 9.0490 9.0490 9.2947 9.2947 9.6306 9.6306 9.6819 9.6819 10.8308 10.8308 10.9226 10.9226 k = 0.0000 0.3660 0.0548 ( 6182 PWs) bands (ev): -53.8119 -53.8119 -53.8118 -53.8118 -28.1135 -28.1135 -28.1130 -28.1130 -20.4515 -20.4515 -20.4496 -20.4496 -20.3417 -20.3417 -20.3405 -20.3405 -6.9468 -6.9468 -6.7922 -6.7922 -4.3688 -4.3688 -4.3201 -4.3201 -3.2310 -3.2310 -3.0871 -3.0871 2.7047 2.7047 3.2174 3.2174 4.0354 4.0354 4.1111 4.1111 4.5060 4.5060 4.6134 4.6134 5.2588 5.2588 5.3430 5.3430 5.5273 5.5273 5.7463 5.7463 6.0909 6.0909 6.1336 6.1336 6.8517 6.8517 7.4301 7.4301 7.5075 7.5075 7.5813 7.5813 9.0516 9.0516 9.2953 9.2953 9.6332 9.6332 9.6847 9.6847 10.8308 10.8308 10.9284 10.9284 k = 0.0000 0.3675 0.0660 ( 6182 PWs) bands (ev): -53.8119 -53.8119 -53.8118 -53.8118 -28.1135 -28.1135 -28.1130 -28.1130 -20.4516 -20.4516 -20.4495 -20.4495 -20.3417 -20.3417 -20.3404 -20.3404 -6.9463 -6.9463 -6.7930 -6.7930 -4.3741 -4.3741 -4.3181 -4.3181 -3.2285 -3.2285 -3.0833 -3.0833 2.6883 2.6883 3.2128 3.2128 4.0291 4.0291 4.1095 4.1095 4.5052 4.5052 4.6121 4.6121 5.2815 5.2815 5.3400 5.3400 5.5543 5.5543 5.7838 5.7838 6.0971 6.0971 6.1400 6.1400 6.8068 6.8068 7.4020 7.4020 7.5036 7.5036 7.5678 7.5678 9.0535 9.0535 9.2976 9.2976 9.6354 9.6354 9.6869 9.6869 10.8310 10.8310 10.9343 10.9343 k = 0.0000 0.3689 0.0772 ( 6184 PWs) bands (ev): -53.8119 -53.8119 -53.8118 -53.8118 -28.1135 -28.1135 -28.1130 -28.1130 -20.4517 -20.4517 -20.4494 -20.4494 -20.3418 -20.3418 -20.3404 -20.3404 -6.9459 -6.9459 -6.7937 -6.7937 -4.3795 -4.3795 -4.3158 -4.3158 -3.2263 -3.2263 -3.0792 -3.0792 2.6739 2.6739 3.2065 3.2065 4.0230 4.0230 4.1087 4.1087 4.5043 4.5043 4.6110 4.6110 5.3003 5.3003 5.3376 5.3376 5.5866 5.5866 5.8178 5.8178 6.1023 6.1023 6.1477 6.1477 6.7647 6.7647 7.3710 7.3710 7.5007 7.5007 7.5545 7.5545 9.0552 9.0552 9.3014 9.3014 9.6377 9.6377 9.6882 9.6882 10.8314 10.8314 10.9403 10.9403 k = 0.0000 0.3704 0.0884 ( 6183 PWs) bands (ev): -53.8119 -53.8119 -53.8118 -53.8118 -28.1136 -28.1136 -28.1129 -28.1129 -20.4518 -20.4518 -20.4493 -20.4493 -20.3419 -20.3419 -20.3403 -20.3403 -6.9458 -6.9458 -6.7941 -6.7941 -4.3851 -4.3851 -4.3131 -4.3131 -3.2244 -3.2244 -3.0750 -3.0750 2.6618 2.6618 3.1985 3.1985 4.0171 4.0171 4.1088 4.1088 4.5035 4.5035 4.6099 4.6099 5.3060 5.3060 5.3447 5.3447 5.6233 5.6233 5.8456 5.8456 6.1060 6.1060 6.1566 6.1566 6.7278 6.7278 7.3381 7.3381 7.4988 7.4988 7.5417 7.5417 9.0568 9.0568 9.3063 9.3063 9.6399 9.6399 9.6884 9.6884 10.8318 10.8318 10.9465 10.9465 k = 0.0000 0.3718 0.0995 ( 6187 PWs) bands (ev): -53.8119 -53.8119 -53.8118 -53.8118 -28.1136 -28.1136 -28.1129 -28.1129 -20.4519 -20.4519 -20.4492 -20.4492 -20.3419 -20.3419 -20.3402 -20.3402 -6.9459 -6.9459 -6.7944 -6.7944 -4.3907 -4.3907 -4.3099 -4.3099 -3.2231 -3.2231 -3.0708 -3.0708 2.6523 2.6523 3.1891 3.1891 4.0114 4.0114 4.1097 4.1097 4.5028 4.5028 4.6089 4.6089 5.2989 5.2989 5.3609 5.3609 5.6636 5.6636 5.8653 5.8653 6.1080 6.1080 6.1664 6.1664 6.6984 6.6984 7.3044 7.3044 7.4977 7.4977 7.5299 7.5299 9.0587 9.0587 9.3119 9.3119 9.6423 9.6423 9.6873 9.6873 10.8321 10.8321 10.9528 10.9528 k = 0.0000 0.3733 0.1107 ( 6196 PWs) bands (ev): -53.8119 -53.8119 -53.8118 -53.8118 -28.1137 -28.1137 -28.1129 -28.1129 -20.4520 -20.4520 -20.4491 -20.4491 -20.3420 -20.3420 -20.3402 -20.3402 -6.9464 -6.9464 -6.7943 -6.7943 -4.3964 -4.3964 -4.3064 -4.3064 -3.2222 -3.2222 -3.0665 -3.0665 2.6457 2.6457 3.1786 3.1786 4.0062 4.0062 4.1115 4.1115 4.5021 4.5021 4.6080 4.6080 5.2871 5.2871 5.3781 5.3781 5.7053 5.7053 5.8760 5.8760 6.1078 6.1078 6.1769 6.1769 6.6781 6.6781 7.2717 7.2717 7.4964 7.4964 7.5203 7.5203 9.0611 9.0611 9.3178 9.3178 9.6447 9.6447 9.6850 9.6850 10.8322 10.8322 10.9591 10.9591 k = 0.5000 0.3327 0.2021 ( 6116 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1335 -28.1335 -28.1334 -28.1334 -20.5271 -20.5271 -20.5270 -20.5270 -20.3633 -20.3633 -20.3633 -20.3633 -6.4983 -6.4983 -6.4983 -6.4983 -3.8679 -3.8679 -3.8646 -3.8646 -2.9759 -2.9759 -2.9759 -2.9759 2.2900 2.2900 2.2901 2.2901 3.8255 3.8255 3.8531 3.8531 4.3477 4.3477 4.3557 4.3557 4.6554 4.6554 4.6636 4.6636 4.9617 4.9617 4.9626 4.9626 5.7540 5.7540 5.7708 5.7708 6.2268 6.2268 6.2485 6.2485 6.6840 6.6840 6.6921 6.6921 9.4081 9.4081 9.4089 9.4089 11.2972 11.2972 11.3975 11.3975 11.8013 11.8013 11.8776 11.8776 k = 0.5000 0.3217 0.2021 ( 6126 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1335 -28.1335 -28.1335 -28.1335 -20.5272 -20.5272 -20.5269 -20.5269 -20.3633 -20.3633 -20.3632 -20.3632 -6.5009 -6.5009 -6.5008 -6.5008 -3.8711 -3.8711 -3.8662 -3.8662 -2.9670 -2.9670 -2.9669 -2.9669 2.2937 2.2937 2.2939 2.2939 3.8171 3.8171 3.8641 3.8641 4.3386 4.3386 4.3607 4.3607 4.6447 4.6447 4.6540 4.6540 4.9343 4.9343 4.9349 4.9349 5.7544 5.7544 5.7772 5.7772 6.2304 6.2304 6.2587 6.2587 6.6853 6.6853 6.6979 6.6979 9.4473 9.4473 9.4484 9.4484 11.2557 11.2557 11.3915 11.3915 11.7982 11.7982 11.8900 11.8900 k = 0.5000 0.3106 0.2021 ( 6130 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1335 -28.1335 -28.1335 -28.1335 -20.5272 -20.5272 -20.5269 -20.5269 -20.3632 -20.3632 -20.3632 -20.3632 -6.5044 -6.5044 -6.5044 -6.5044 -3.8753 -3.8753 -3.8687 -3.8687 -2.9543 -2.9543 -2.9543 -2.9543 2.2994 2.2994 2.2998 2.2998 3.8061 3.8061 3.8715 3.8715 4.3313 4.3313 4.3664 4.3664 4.6308 4.6308 4.6400 4.6400 4.8975 4.8975 4.8991 4.8991 5.7568 5.7568 5.7851 5.7851 6.2342 6.2342 6.2689 6.2689 6.6890 6.6890 6.7057 6.7057 9.5023 9.5023 9.5038 9.5038 11.2134 11.2134 11.3766 11.3766 11.7998 11.7998 11.9002 11.9002 k = 0.5000 0.2995 0.2021 ( 6120 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1335 -28.1335 -28.1334 -28.1334 -20.5272 -20.5272 -20.5269 -20.5269 -20.3631 -20.3631 -20.3630 -20.3630 -6.5089 -6.5089 -6.5089 -6.5089 -3.8803 -3.8803 -3.8722 -3.8722 -2.9380 -2.9380 -2.9379 -2.9379 2.3069 2.3069 2.3075 2.3075 3.7930 3.7930 3.8750 3.8750 4.3252 4.3252 4.3714 4.3714 4.6122 4.6122 4.6193 4.6193 4.8556 4.8556 4.8602 4.8602 5.7606 5.7606 5.7939 5.7939 6.2386 6.2386 6.2794 6.2794 6.6942 6.6942 6.7147 6.7147 9.5721 9.5721 9.5740 9.5740 11.1714 11.1714 11.3548 11.3548 11.8051 11.8051 11.9083 11.9083 k = 0.5000 0.2884 0.2021 ( 6122 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1335 -28.1335 -28.1334 -28.1334 -20.5273 -20.5273 -20.5268 -20.5268 -20.3630 -20.3630 -20.3629 -20.3629 -6.5144 -6.5144 -6.5143 -6.5143 -3.8863 -3.8863 -3.8766 -3.8766 -2.9182 -2.9182 -2.9181 -2.9181 2.3161 2.3161 2.3171 2.3171 3.7782 3.7782 3.8745 3.8745 4.3192 4.3192 4.3737 4.3737 4.5864 4.5864 4.5888 4.5888 4.8146 4.8146 4.8252 4.8252 5.7655 5.7655 5.8029 5.8029 6.2437 6.2437 6.2903 6.2903 6.7001 6.7001 6.7240 6.7240 9.6554 9.6554 9.6577 9.6577 11.1309 11.1309 11.3284 11.3284 11.8131 11.8131 11.9147 11.9147 k = 0.5000 0.2773 0.2021 ( 6126 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1335 -28.1335 -28.1334 -28.1334 -20.5273 -20.5273 -20.5268 -20.5268 -20.3629 -20.3629 -20.3628 -20.3628 -6.5207 -6.5207 -6.5206 -6.5206 -3.8930 -3.8930 -3.8819 -3.8819 -2.8949 -2.8949 -2.8948 -2.8948 2.3268 2.3268 2.3284 2.3284 3.7619 3.7619 3.8696 3.8696 4.3117 4.3117 4.3706 4.3706 4.5468 4.5468 4.5505 4.5505 4.7815 4.7815 4.8004 4.8004 5.7709 5.7709 5.8116 5.8116 6.2498 6.2498 6.3019 6.3019 6.7060 6.7060 6.7327 6.7327 9.7509 9.7509 9.7536 9.7536 11.0932 11.0932 11.3001 11.3001 11.8224 11.8224 11.9198 11.9198 k = 0.5000 0.2662 0.2021 ( 6130 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1335 -28.1335 -28.1334 -28.1334 -20.5273 -20.5273 -20.5268 -20.5268 -20.3628 -20.3628 -20.3627 -20.3627 -6.5277 -6.5277 -6.5277 -6.5277 -3.9004 -3.9004 -3.8881 -3.8881 -2.8684 -2.8684 -2.8683 -2.8683 2.3388 2.3388 2.3411 2.3411 3.7441 3.7441 3.8600 3.8600 4.2999 4.2999 4.3566 4.3566 4.4984 4.4984 4.5055 4.5055 4.7605 4.7605 4.7879 4.7879 5.7764 5.7764 5.8193 5.8193 6.2573 6.2573 6.3144 6.3144 6.7111 6.7111 6.7400 6.7400 9.8568 9.8568 9.8600 9.8600 11.0592 11.0592 11.2720 11.2720 11.8324 11.8324 11.9237 11.9237 k = 0.5000 0.2551 0.2021 ( 6128 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1335 -28.1335 -28.1334 -28.1334 -20.5273 -20.5273 -20.5268 -20.5268 -20.3627 -20.3627 -20.3625 -20.3625 -6.5355 -6.5355 -6.5354 -6.5354 -3.9084 -3.9084 -3.8950 -3.8950 -2.8389 -2.8389 -2.8388 -2.8388 2.3520 2.3520 2.3551 2.3551 3.7246 3.7246 3.8448 3.8448 4.2792 4.2792 4.3220 4.3220 4.4572 4.4572 4.4586 4.4586 4.7514 4.7514 4.7861 4.7861 5.7818 5.7818 5.8257 5.8257 6.2660 6.2660 6.3278 6.3278 6.7151 6.7151 6.7453 6.7453 9.9716 9.9716 9.9753 9.9753 11.0301 11.0301 11.2461 11.2461 11.8425 11.8425 11.9269 11.9269 k = 0.5000 0.2440 0.2021 ( 6124 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1335 -28.1335 -28.1333 -28.1333 -20.5273 -20.5273 -20.5267 -20.5267 -20.3625 -20.3625 -20.3624 -20.3624 -6.5438 -6.5438 -6.5437 -6.5437 -3.9169 -3.9169 -3.9026 -3.9026 -2.8066 -2.8066 -2.8065 -2.8065 2.3660 2.3660 2.3702 2.3702 3.7027 3.7027 3.8227 3.8227 4.2451 4.2451 4.2632 4.2632 4.4202 4.4202 4.4320 4.4320 4.7517 4.7517 4.7920 4.7920 5.7869 5.7869 5.8304 5.8304 6.2759 6.2759 6.3423 6.3423 6.7176 6.7176 6.7480 6.7480 10.0935 10.0935 10.0979 10.0979 11.0071 11.0071 11.2242 11.2242 11.8522 11.8522 11.9294 11.9294 k = 0.5000 0.2329 0.2021 ( 6130 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1335 -28.1335 -28.1333 -28.1333 -20.5274 -20.5274 -20.5267 -20.5267 -20.3623 -20.3623 -20.3622 -20.3622 -6.5527 -6.5527 -6.5526 -6.5526 -3.9259 -3.9259 -3.9108 -3.9108 -2.7717 -2.7717 -2.7716 -2.7716 2.3808 2.3808 2.3860 2.3860 3.6772 3.6772 3.7916 3.7916 4.1909 4.1909 4.1985 4.1985 4.3953 4.3953 4.4172 4.4172 4.7588 4.7588 4.8034 4.8034 5.7915 5.7915 5.8334 5.8334 6.2864 6.2864 6.3574 6.3574 6.7186 6.7186 6.7480 6.7480 10.2205 10.2205 10.2259 10.2259 10.9915 10.9915 11.2078 11.2078 11.8615 11.8615 11.9315 11.9315 k = 0.5000 0.2218 0.2021 ( 6128 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1335 -28.1335 -28.1333 -28.1333 -20.5274 -20.5274 -20.5267 -20.5267 -20.3622 -20.3622 -20.3620 -20.3620 -6.5619 -6.5619 -6.5618 -6.5618 -3.9353 -3.9353 -3.9195 -3.9195 -2.7345 -2.7345 -2.7344 -2.7344 2.3959 2.3959 2.4023 2.4023 3.6460 3.6460 3.7489 3.7489 4.1163 4.1163 4.1478 4.1478 4.3814 4.3814 4.4068 4.4068 4.7709 4.7709 4.8183 4.8183 5.7956 5.7956 5.8348 5.8348 6.2966 6.2966 6.3728 6.3728 6.7185 6.7185 6.7453 6.7453 10.3501 10.3501 10.3572 10.3572 10.9847 10.9847 11.1984 11.1984 11.8702 11.8702 11.9333 11.9333 k = 0.5000 0.2107 0.2021 ( 6136 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1335 -28.1335 -28.1333 -28.1333 -20.5274 -20.5274 -20.5267 -20.5267 -20.3620 -20.3620 -20.3618 -20.3618 -6.5714 -6.5714 -6.5713 -6.5713 -3.9449 -3.9449 -3.9286 -3.9286 -2.6952 -2.6952 -2.6952 -2.6952 2.4113 2.4113 2.4189 2.4189 3.6067 3.6067 3.6930 3.6930 4.0464 4.0464 4.1012 4.1012 4.3746 4.3746 4.3989 4.3989 4.7862 4.7862 4.8353 4.8353 5.7993 5.7993 5.8349 5.8349 6.3055 6.3055 6.3874 6.3874 6.7179 6.7179 6.7404 6.7404 10.4790 10.4790 10.4893 10.4893 10.9890 10.9890 11.1979 11.1979 11.8785 11.8785 11.9350 11.9350 k = 0.5000 0.1996 0.2021 ( 6142 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1335 -28.1335 -28.1333 -28.1333 -20.5275 -20.5275 -20.5267 -20.5267 -20.3618 -20.3618 -20.3616 -20.3616 -6.5811 -6.5811 -6.5810 -6.5810 -3.9546 -3.9546 -3.9380 -3.9380 -2.6542 -2.6542 -2.6542 -2.6542 2.4266 2.4266 2.4355 2.4355 3.5567 3.5567 3.6242 3.6242 3.9865 3.9865 4.0625 4.0625 4.3728 4.3728 4.3930 4.3930 4.8037 4.8037 4.8532 4.8532 5.8028 5.8028 5.8340 5.8340 6.3115 6.3115 6.3999 6.3999 6.7177 6.7177 6.7343 6.7343 10.6023 10.6023 10.6189 10.6189 11.0082 11.0082 11.2084 11.2084 11.8863 11.8863 11.9368 11.9368 k = 0.5000 0.1886 0.2021 ( 6150 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1335 -28.1335 -28.1333 -28.1333 -20.5275 -20.5275 -20.5267 -20.5267 -20.3616 -20.3616 -20.3614 -20.3614 -6.5909 -6.5909 -6.5908 -6.5908 -3.9645 -3.9645 -3.9476 -3.9476 -2.6118 -2.6118 -2.6118 -2.6118 2.4417 2.4417 2.4518 2.4518 3.4948 3.4948 3.5451 3.5451 3.9391 3.9391 4.0318 4.0318 4.3754 4.3754 4.3894 4.3894 4.8224 4.8224 4.8713 4.8713 5.8064 5.8064 5.8324 5.8324 6.3131 6.3131 6.4085 6.4085 6.7192 6.7192 6.7285 6.7285 10.7124 10.7124 10.7414 10.7414 11.0483 11.0483 11.2331 11.2331 11.8938 11.8938 11.9388 11.9388 k = 0.5000 0.1775 0.2021 ( 6150 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1335 -28.1335 -28.1333 -28.1333 -20.5275 -20.5275 -20.5268 -20.5268 -20.3614 -20.3614 -20.3612 -20.3612 -6.6007 -6.6007 -6.6006 -6.6006 -3.9743 -3.9743 -3.9574 -3.9574 -2.5683 -2.5683 -2.5683 -2.5683 2.4563 2.4563 2.4675 2.4675 3.4224 3.4224 3.4589 3.4589 3.9043 3.9043 4.0074 4.0074 4.3821 4.3821 4.3883 4.3883 4.8414 4.8414 4.8888 4.8888 5.8100 5.8100 5.8304 5.8304 6.3090 6.3090 6.4112 6.4112 6.7235 6.7235 6.7250 6.7250 10.8012 10.8012 10.8511 10.8511 11.1156 11.1156 11.2763 11.2763 11.9011 11.9011 11.9413 11.9413 k = 0.5000 0.1664 0.2021 ( 6148 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1335 -28.1335 -28.1333 -28.1333 -20.5275 -20.5275 -20.5268 -20.5268 -20.3612 -20.3612 -20.3610 -20.3610 -6.6104 -6.6104 -6.6103 -6.6103 -3.9839 -3.9839 -3.9672 -3.9672 -2.5241 -2.5241 -2.5241 -2.5241 2.4703 2.4703 2.4825 2.4825 3.3423 3.3423 3.3688 3.3688 3.8797 3.8797 3.9873 3.9873 4.3903 4.3903 4.3930 4.3930 4.8600 4.8600 4.9052 4.9052 5.8140 5.8140 5.8284 5.8284 6.2981 6.2981 6.4057 6.4057 6.7257 6.7257 6.7312 6.7312 10.8679 10.8679 10.9425 10.9425 11.2085 11.2085 11.3411 11.3411 11.9084 11.9084 11.9447 11.9447 k = 0.5000 0.1553 0.2021 ( 6148 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1334 -28.1334 -28.1333 -28.1333 -20.5275 -20.5275 -20.5268 -20.5268 -20.3610 -20.3610 -20.3608 -20.3608 -6.6199 -6.6199 -6.6198 -6.6198 -3.9934 -3.9934 -3.9770 -3.9770 -2.4796 -2.4796 -2.4796 -2.4796 2.4836 2.4836 2.4964 2.4964 3.2579 3.2579 3.2774 3.2774 3.8629 3.8629 3.9702 3.9702 4.3958 4.3958 4.4080 4.4080 4.8778 4.8778 4.9201 4.9201 5.8183 5.8183 5.8264 5.8264 6.2802 6.2802 6.3909 6.3909 6.7318 6.7318 6.7428 6.7428 10.9209 10.9209 11.0147 11.0147 11.3159 11.3159 11.4260 11.4260 11.9161 11.9161 11.9494 11.9494 k = 0.5000 0.1442 0.2021 ( 6156 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1334 -28.1334 -28.1333 -28.1333 -20.5275 -20.5275 -20.5268 -20.5268 -20.3608 -20.3608 -20.3606 -20.3606 -6.6291 -6.6291 -6.6290 -6.6290 -4.0025 -4.0025 -3.9866 -3.9866 -2.4352 -2.4352 -2.4352 -2.4352 2.4958 2.4958 2.5092 2.5092 3.1720 3.1720 3.1866 3.1866 3.8515 3.8515 3.9551 3.9551 4.4052 4.4052 4.4273 4.4273 4.8941 4.8941 4.9332 4.9332 5.8231 5.8231 5.8247 5.8247 6.2559 6.2559 6.3670 6.3670 6.7433 6.7433 6.7578 6.7578 10.9685 10.9685 11.0724 11.0724 11.4261 11.4261 11.5232 11.5232 11.9246 11.9246 11.9563 11.9563 k = 0.5000 0.1331 0.2021 ( 6162 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1334 -28.1334 -28.1333 -28.1333 -20.5275 -20.5275 -20.5268 -20.5268 -20.3606 -20.3606 -20.3604 -20.3604 -6.6379 -6.6379 -6.6378 -6.6378 -4.0112 -4.0112 -3.9960 -3.9960 -2.3914 -2.3914 -2.3913 -2.3913 2.5070 2.5070 2.5206 2.5206 3.0869 3.0869 3.0980 3.0980 3.8438 3.8438 3.9413 3.9413 4.4187 4.4187 4.4505 4.4505 4.9085 4.9085 4.9442 4.9442 5.8232 5.8232 5.8284 5.8284 6.2262 6.2262 6.3351 6.3351 6.7592 6.7592 6.7756 6.7756 11.0150 11.0150 11.1214 11.1214 11.5308 11.5308 11.6228 11.6228 11.9348 11.9348 11.9664 11.9664 k = 0.5000 0.1220 0.2021 ( 6166 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1334 -28.1334 -28.1333 -28.1333 -20.5275 -20.5275 -20.5269 -20.5269 -20.3604 -20.3604 -20.3603 -20.3603 -6.6464 -6.6464 -6.6463 -6.6463 -4.0195 -4.0195 -4.0050 -4.0050 -2.3485 -2.3485 -2.3484 -2.3484 2.5170 2.5170 2.5304 2.5304 3.0043 3.0043 3.0128 3.0128 3.8387 3.8387 3.9285 3.9285 4.4365 4.4365 4.4774 4.4774 4.9208 4.9208 4.9530 4.9530 5.8219 5.8219 5.8340 5.8340 6.1926 6.1926 6.2968 6.2968 6.7782 6.7782 6.7952 6.7952 11.0622 11.0622 11.1658 11.1658 11.6233 11.6233 11.7155 11.7155 11.9487 11.9487 11.9814 11.9814 k = 0.5000 0.1109 0.2021 ( 6168 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1334 -28.1334 -28.1333 -28.1333 -20.5275 -20.5275 -20.5269 -20.5269 -20.3602 -20.3602 -20.3601 -20.3601 -6.6543 -6.6543 -6.6542 -6.6542 -4.0272 -4.0272 -4.0136 -4.0136 -2.3070 -2.3070 -2.3069 -2.3069 2.5255 2.5255 2.5385 2.5385 2.9258 2.9258 2.9322 2.9322 3.8352 3.8352 3.9165 3.9165 4.4585 4.4585 4.5076 4.5076 4.9305 4.9305 4.9595 4.9595 5.8205 5.8205 5.8398 5.8398 6.1564 6.1564 6.2540 6.2540 6.7991 6.7991 6.8157 6.8157 11.1102 11.1102 11.2075 11.2075 11.6986 11.6986 11.7923 11.7923 11.9693 11.9693 12.0027 12.0027 k = 0.5000 0.0998 0.2021 ( 6158 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1334 -28.1334 -28.1332 -28.1332 -20.5275 -20.5275 -20.5269 -20.5269 -20.3600 -20.3600 -20.3599 -20.3599 -6.6616 -6.6616 -6.6616 -6.6616 -4.0344 -4.0344 -4.0217 -4.0217 -2.2675 -2.2675 -2.2674 -2.2674 2.5323 2.5323 2.5445 2.5445 2.8526 2.8526 2.8573 2.8573 3.8329 3.8329 3.9053 3.9053 4.4845 4.4845 4.5407 4.5407 4.9375 4.9375 4.9636 4.9636 5.8187 5.8187 5.8456 5.8456 6.1194 6.1194 6.2081 6.2081 6.8206 6.8206 6.8365 6.8365 11.1588 11.1588 11.2473 11.2473 11.7544 11.7544 11.8458 11.8458 12.0000 12.0000 12.0302 12.0302 k = 0.5000 0.0887 0.2021 ( 6156 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1333 -28.1333 -28.1332 -28.1332 -20.5275 -20.5275 -20.5269 -20.5269 -20.3599 -20.3599 -20.3597 -20.3597 -6.6684 -6.6684 -6.6683 -6.6683 -4.0408 -4.0408 -4.0293 -4.0293 -2.2304 -2.2304 -2.2303 -2.2303 2.5370 2.5370 2.5478 2.5478 2.7864 2.7864 2.7895 2.7895 3.8314 3.8314 3.8948 3.8948 4.5143 4.5143 4.5760 4.5760 4.9413 4.9413 4.9651 4.9651 5.8163 5.8163 5.8510 5.8510 6.0834 6.0834 6.1608 6.1608 6.8419 6.8419 6.8566 6.8566 11.2069 11.2069 11.2850 11.2850 11.7924 11.7924 11.8769 11.8769 12.0371 12.0371 12.0606 12.0606 k = 0.5000 0.0776 0.2021 ( 6154 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1333 -28.1333 -28.1332 -28.1332 -20.5274 -20.5274 -20.5269 -20.5269 -20.3597 -20.3597 -20.3596 -20.3596 -6.6744 -6.6744 -6.6744 -6.6744 -4.0465 -4.0465 -4.0362 -4.0362 -2.1962 -2.1962 -2.1961 -2.1961 2.5385 2.5385 2.5475 2.5475 2.7289 2.7289 2.7303 2.7303 3.8305 3.8305 3.8851 3.8851 4.5474 4.5474 4.6128 4.6128 4.9418 4.9418 4.9640 4.9640 5.8128 5.8128 5.8555 5.8555 6.0499 6.0499 6.1138 6.1138 6.8623 6.8623 6.8756 6.8756 11.2534 11.2534 11.3201 11.3201 11.8177 11.8177 11.8941 11.8941 12.0718 12.0718 12.0890 12.0890 k = 0.5000 0.0665 0.2021 ( 6162 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1333 -28.1333 -28.1332 -28.1332 -20.5274 -20.5274 -20.5270 -20.5270 -20.3596 -20.3596 -20.3595 -20.3595 -6.6798 -6.6798 -6.6797 -6.6797 -4.0515 -4.0515 -4.0425 -4.0425 -2.1653 -2.1653 -2.1653 -2.1653 2.5353 2.5353 2.5418 2.5418 2.6821 2.6821 2.6828 2.6828 3.8302 3.8302 3.8761 3.8761 4.5832 4.5832 4.6504 4.6504 4.9385 4.9385 4.9603 4.9603 5.8081 5.8081 5.8586 5.8586 6.0206 6.0206 6.0688 6.0688 6.8812 6.8812 6.8929 6.8929 11.2971 11.2971 11.3519 11.3519 11.8353 11.8353 11.9040 11.9040 12.0987 12.0987 12.1120 12.1120 k = 0.5000 0.0555 0.2021 ( 6158 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1333 -28.1333 -28.1332 -28.1332 -20.5274 -20.5274 -20.5270 -20.5270 -20.3595 -20.3595 -20.3594 -20.3594 -6.6844 -6.6844 -6.6843 -6.6843 -4.0556 -4.0556 -4.0480 -4.0480 -2.1383 -2.1383 -2.1383 -2.1383 2.5251 2.5251 2.5287 2.5287 2.6477 2.6477 2.6506 2.6506 3.8303 3.8303 3.8679 3.8679 4.6208 4.6208 4.6879 4.6879 4.9314 4.9314 4.9538 4.9538 5.8023 5.8023 5.8591 5.8591 5.9965 5.9965 6.0280 6.0280 6.8981 6.8981 6.9081 6.9081 11.3366 11.3366 11.3798 11.3798 11.8487 11.8487 11.9096 11.9096 12.1176 12.1176 12.1286 12.1286 k = 0.5000 0.0444 0.2021 ( 6160 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1333 -28.1333 -28.1332 -28.1332 -20.5273 -20.5273 -20.5271 -20.5271 -20.3594 -20.3594 -20.3593 -20.3593 -6.6882 -6.6882 -6.6881 -6.6881 -4.0589 -4.0589 -4.0527 -4.0527 -2.1156 -2.1156 -2.1156 -2.1156 2.5081 2.5081 2.5094 2.5094 2.6276 2.6276 2.6317 2.6317 3.8309 3.8309 3.8606 3.8606 4.6593 4.6593 4.7242 4.7242 4.9204 4.9204 4.9443 4.9443 5.7966 5.7966 5.8556 5.8556 5.9779 5.9779 5.9940 5.9940 6.9127 6.9127 6.9208 6.9208 11.3708 11.3708 11.4031 11.4031 11.8600 11.8600 11.9120 11.9120 12.1302 12.1302 12.1394 12.1394 k = 0.5000 0.0333 0.2021 ( 6166 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1333 -28.1333 -28.1332 -28.1332 -20.5273 -20.5273 -20.5271 -20.5271 -20.3593 -20.3593 -20.3592 -20.3592 -6.6911 -6.6911 -6.6911 -6.6911 -4.0613 -4.0613 -4.0566 -4.0566 -2.0975 -2.0975 -2.0975 -2.0975 2.4886 2.4886 2.4888 2.4888 2.6180 2.6180 2.6220 2.6220 3.8321 3.8321 3.8541 3.8541 4.6977 4.6977 4.7578 4.7578 4.9059 4.9059 4.9319 4.9319 5.7924 5.7924 5.8467 5.8467 5.9644 5.9644 5.9694 5.9694 6.9246 6.9246 6.9308 6.9308 11.3987 11.3987 11.4213 11.4213 11.8704 11.8704 11.9118 11.9118 12.1383 12.1383 12.1458 12.1458 k = 0.5000 0.0222 0.2021 ( 6166 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1333 -28.1333 -28.1333 -28.1333 -20.5273 -20.5273 -20.5272 -20.5272 -20.3592 -20.3592 -20.3592 -20.3592 -6.6933 -6.6933 -6.6933 -6.6933 -4.0628 -4.0628 -4.0597 -4.0597 -2.0843 -2.0843 -2.0843 -2.0843 2.4715 2.4715 2.4717 2.4717 2.6140 2.6140 2.6170 2.6170 3.8339 3.8339 3.8484 3.8484 4.7347 4.7347 4.7860 4.7860 4.8899 4.8899 4.9168 4.9168 5.7915 5.7915 5.8330 5.8330 5.9549 5.9549 5.9553 5.9553 6.9335 6.9335 6.9377 6.9377 11.4197 11.4197 11.4338 11.4338 11.8802 11.8802 11.9092 11.9092 12.1436 12.1436 12.1489 12.1489 k = 0.5000 0.0111 0.2021 ( 6164 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1333 -28.1333 -28.1332 -28.1332 -20.5273 -20.5273 -20.5272 -20.5272 -20.3592 -20.3592 -20.3592 -20.3592 -6.6946 -6.6946 -6.6946 -6.6946 -4.0634 -4.0634 -4.0618 -4.0618 -2.0764 -2.0764 -2.0763 -2.0763 2.4604 2.4604 2.4605 2.4605 2.6128 2.6128 2.6144 2.6144 3.8363 3.8363 3.8436 3.8436 4.7680 4.7680 4.8015 4.8015 4.8791 4.8791 4.8998 4.8998 5.7953 5.7953 5.8176 5.8176 5.9485 5.9485 5.9497 5.9497 6.9394 6.9394 6.9415 6.9415 11.4335 11.4335 11.4403 11.4403 11.8894 11.8894 11.9043 11.9043 12.1470 12.1470 12.1498 12.1498 k = 0.5000-0.0000 0.2021 ( 6164 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1333 -28.1333 -28.1333 -28.1333 -20.5272 -20.5272 -20.5272 -20.5272 -20.3592 -20.3592 -20.3592 -20.3592 -6.6950 -6.6950 -6.6950 -6.6950 -4.0630 -4.0630 -4.0630 -4.0630 -2.0737 -2.0737 -2.0737 -2.0737 2.4566 2.4566 2.4566 2.4566 2.6130 2.6130 2.6130 2.6130 3.8396 3.8396 3.8396 3.8396 4.7936 4.7936 4.7936 4.7936 4.8841 4.8841 4.8841 4.8841 5.8042 5.8042 5.8042 5.8042 5.9473 5.9473 5.9473 5.9473 6.9421 6.9421 6.9421 6.9421 11.4403 11.4403 11.4403 11.4403 11.8976 11.8976 11.8976 11.8976 12.1491 12.1491 12.1491 12.1491 k = 0.5000-0.0000 0.2021 ( 6164 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1333 -28.1333 -28.1333 -28.1333 -20.5272 -20.5272 -20.5272 -20.5272 -20.3592 -20.3592 -20.3592 -20.3592 -6.6950 -6.6950 -6.6950 -6.6950 -4.0630 -4.0630 -4.0630 -4.0630 -2.0737 -2.0737 -2.0737 -2.0737 2.4566 2.4566 2.4566 2.4566 2.6130 2.6130 2.6130 2.6130 3.8396 3.8396 3.8396 3.8396 4.7936 4.7936 4.7936 4.7936 4.8841 4.8841 4.8841 4.8841 5.8042 5.8042 5.8042 5.8042 5.9473 5.9473 5.9473 5.9473 6.9421 6.9421 6.9421 6.9421 11.4403 11.4403 11.4403 11.4403 11.8976 11.8976 11.8976 11.8976 12.1491 12.1491 12.1491 12.1491 k = 0.5000-0.0000 0.1909 ( 6168 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1333 -28.1333 -28.1333 -28.1333 -20.5272 -20.5272 -20.5272 -20.5272 -20.3592 -20.3592 -20.3592 -20.3592 -6.6950 -6.6950 -6.6950 -6.6950 -4.0631 -4.0631 -4.0631 -4.0631 -2.0737 -2.0737 -2.0737 -2.0737 2.4563 2.4563 2.4564 2.4564 2.6136 2.6136 2.6138 2.6138 3.8390 3.8390 3.8392 3.8392 4.7927 4.7927 4.7946 4.7946 4.8826 4.8826 4.8839 4.8839 5.7991 5.7991 5.8104 5.8104 5.9433 5.9433 5.9525 5.9525 6.9410 6.9410 6.9431 6.9431 11.4366 11.4366 11.4435 11.4435 11.8912 11.8912 11.9036 11.9036 12.1484 12.1484 12.1497 12.1497 k = 0.5000-0.0000 0.1797 ( 6170 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1333 -28.1333 -28.1333 -28.1333 -20.5272 -20.5272 -20.5272 -20.5272 -20.3592 -20.3592 -20.3592 -20.3592 -6.6950 -6.6950 -6.6950 -6.6950 -4.0631 -4.0631 -4.0631 -4.0631 -2.0737 -2.0737 -2.0737 -2.0737 2.4554 2.4554 2.4556 2.4556 2.6155 2.6155 2.6159 2.6159 3.8376 3.8376 3.8379 3.8379 4.7917 4.7917 4.7954 4.7954 4.8794 4.8794 4.8822 4.8822 5.7953 5.7953 5.8174 5.8174 5.9407 5.9407 5.9587 5.9587 6.9397 6.9397 6.9440 6.9440 11.4324 11.4324 11.4459 11.4459 11.8848 11.8848 11.9091 11.9091 12.1477 12.1477 12.1502 12.1502 k = 0.5000-0.0000 0.1685 ( 6164 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1333 -28.1333 -28.1333 -28.1333 -20.5272 -20.5272 -20.5272 -20.5272 -20.3592 -20.3592 -20.3592 -20.3592 -6.6950 -6.6950 -6.6950 -6.6950 -4.0631 -4.0631 -4.0631 -4.0631 -2.0737 -2.0737 -2.0737 -2.0737 2.4541 2.4541 2.4544 2.4544 2.6186 2.6186 2.6192 2.6192 3.8353 3.8353 3.8357 3.8357 4.7906 4.7906 4.7962 4.7962 4.8748 4.8748 4.8790 4.8790 5.7928 5.7928 5.8246 5.8246 5.9400 5.9400 5.9659 5.9659 6.9385 6.9385 6.9447 6.9447 11.4279 11.4279 11.4476 11.4476 11.8785 11.8785 11.9138 11.9138 12.1470 12.1470 12.1505 12.1505 k = 0.5000-0.0000 0.1572 ( 6158 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1332 -28.1332 -28.1332 -28.1332 -20.5272 -20.5272 -20.5272 -20.5272 -20.3592 -20.3592 -20.3592 -20.3592 -6.6950 -6.6950 -6.6950 -6.6950 -4.0631 -4.0631 -4.0631 -4.0631 -2.0737 -2.0737 -2.0736 -2.0736 2.4524 2.4524 2.4527 2.4527 2.6229 2.6229 2.6235 2.6235 3.8322 3.8322 3.8327 3.8327 4.7894 4.7894 4.7969 4.7969 4.8688 4.8688 4.8746 4.8746 5.7915 5.7915 5.8314 5.8314 5.9414 5.9414 5.9738 5.9738 6.9372 6.9372 6.9453 6.9453 11.4233 11.4233 11.4484 11.4484 11.8726 11.8726 11.9176 11.9176 12.1464 12.1464 12.1507 12.1507 k = 0.5000-0.0000 0.1460 ( 6160 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1332 -28.1332 -28.1332 -28.1332 -20.5272 -20.5272 -20.5272 -20.5272 -20.3592 -20.3592 -20.3592 -20.3592 -6.6950 -6.6950 -6.6950 -6.6950 -4.0632 -4.0632 -4.0632 -4.0632 -2.0737 -2.0737 -2.0736 -2.0736 2.4503 2.4503 2.4508 2.4508 2.6281 2.6281 2.6288 2.6288 3.8284 3.8284 3.8289 3.8289 4.7880 4.7880 4.7974 4.7974 4.8619 4.8619 4.8694 4.8694 5.7913 5.7913 5.8372 5.8372 5.9453 5.9453 5.9824 5.9824 6.9360 6.9360 6.9456 6.9456 11.4186 11.4186 11.4482 11.4482 11.8672 11.8672 11.9204 11.9204 12.1458 12.1458 12.1508 12.1508 k = 0.5000-0.0000 0.1348 ( 6156 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1332 -28.1332 -28.1332 -28.1332 -20.5272 -20.5272 -20.5272 -20.5272 -20.3592 -20.3592 -20.3592 -20.3592 -6.6950 -6.6950 -6.6950 -6.6950 -4.0632 -4.0632 -4.0632 -4.0632 -2.0737 -2.0737 -2.0736 -2.0736 2.4481 2.4481 2.4486 2.4486 2.6340 2.6340 2.6349 2.6349 3.8239 3.8239 3.8245 3.8245 4.7863 4.7863 4.7975 4.7975 4.8544 4.8544 4.8636 4.8636 5.7919 5.7919 5.8414 5.8414 5.9520 5.9520 5.9915 5.9915 6.9348 6.9348 6.9457 6.9457 11.4141 11.4141 11.4472 11.4472 11.8625 11.8625 11.9219 11.9219 12.1453 12.1453 12.1507 12.1507 k = 0.5000-0.0000 0.1235 ( 6156 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1332 -28.1332 -28.1332 -28.1332 -20.5272 -20.5272 -20.5272 -20.5272 -20.3592 -20.3592 -20.3592 -20.3592 -6.6950 -6.6950 -6.6950 -6.6950 -4.0633 -4.0633 -4.0633 -4.0633 -2.0737 -2.0737 -2.0736 -2.0736 2.4458 2.4458 2.4464 2.4464 2.6405 2.6405 2.6414 2.6414 3.8188 3.8188 3.8195 3.8195 4.7842 4.7842 4.7969 4.7969 4.8470 4.8470 4.8578 4.8578 5.7933 5.7933 5.8440 5.8440 5.9610 5.9610 6.0010 6.0010 6.9337 6.9337 6.9456 6.9456 11.4099 11.4099 11.4453 11.4453 11.8586 11.8586 11.9223 11.9223 12.1449 12.1449 12.1505 12.1505 k = 0.5000-0.0000 0.1123 ( 6156 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1332 -28.1332 -28.1332 -28.1332 -20.5272 -20.5272 -20.5272 -20.5272 -20.3592 -20.3592 -20.3592 -20.3592 -6.6949 -6.6949 -6.6949 -6.6949 -4.0634 -4.0634 -4.0634 -4.0634 -2.0737 -2.0737 -2.0736 -2.0736 2.4435 2.4435 2.4441 2.4441 2.6473 2.6473 2.6483 2.6483 3.8134 3.8134 3.8141 3.8141 4.7816 4.7816 4.7955 4.7955 4.8401 4.8401 4.8522 4.8522 5.7952 5.7952 5.8449 5.8449 5.9720 5.9720 6.0106 6.0106 6.9328 6.9328 6.9453 6.9453 11.4061 11.4061 11.4427 11.4427 11.8556 11.8556 11.9215 11.9215 12.1446 12.1446 12.1501 12.1501 k = 0.5000-0.0000 0.1011 ( 6156 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1332 -28.1332 -28.1332 -28.1332 -20.5272 -20.5272 -20.5272 -20.5272 -20.3591 -20.3591 -20.3591 -20.3591 -6.6949 -6.6949 -6.6949 -6.6949 -4.0634 -4.0634 -4.0634 -4.0634 -2.0737 -2.0737 -2.0736 -2.0736 2.4413 2.4413 2.4419 2.4419 2.6543 2.6543 2.6553 2.6553 3.8077 3.8077 3.8084 3.8084 4.7786 4.7786 4.7928 4.7928 4.8345 4.8345 4.8471 4.8471 5.7975 5.7975 5.8446 5.8446 5.9843 5.9843 6.0202 6.0202 6.9320 6.9320 6.9447 6.9447 11.4027 11.4027 11.4394 11.4394 11.8535 11.8535 11.9195 11.9195 12.1444 12.1444 12.1497 12.1497 k = 0.5000-0.0000 0.0898 ( 6158 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1332 -28.1332 -28.1332 -28.1332 -20.5272 -20.5272 -20.5272 -20.5272 -20.3592 -20.3592 -20.3591 -20.3591 -6.6949 -6.6949 -6.6949 -6.6949 -4.0635 -4.0635 -4.0635 -4.0635 -2.0737 -2.0737 -2.0736 -2.0736 2.4392 2.4392 2.4398 2.4398 2.6612 2.6612 2.6623 2.6623 3.8020 3.8020 3.8027 3.8027 4.7751 4.7751 4.7887 4.7887 4.8305 4.8305 4.8427 4.8427 5.8000 5.8000 5.8434 5.8434 5.9970 5.9970 6.0295 6.0295 6.9314 6.9314 6.9440 6.9440 11.4000 11.4000 11.4355 11.4355 11.8524 11.8524 11.9165 11.9165 12.1442 12.1442 12.1491 12.1491 k = 0.5000-0.0000 0.0786 ( 6158 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1332 -28.1332 -28.1332 -28.1332 -20.5272 -20.5272 -20.5272 -20.5272 -20.3591 -20.3591 -20.3591 -20.3591 -6.6949 -6.6949 -6.6949 -6.6949 -4.0636 -4.0636 -4.0636 -4.0636 -2.0737 -2.0737 -2.0736 -2.0736 2.4373 2.4373 2.4378 2.4378 2.6680 2.6680 2.6689 2.6689 3.7963 3.7963 3.7970 3.7970 4.7713 4.7713 4.7836 4.7836 4.8280 4.8280 4.8391 4.8391 5.8026 5.8026 5.8415 5.8415 6.0097 6.0097 6.0383 6.0383 6.9310 6.9310 6.9431 6.9431 11.3978 11.3978 11.4312 11.4312 11.8522 11.8522 11.9126 11.9126 12.1441 12.1441 12.1485 12.1485 k = 0.5000-0.0000 0.0674 ( 6156 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1332 -28.1332 -28.1332 -28.1332 -20.5272 -20.5272 -20.5272 -20.5272 -20.3591 -20.3591 -20.3591 -20.3591 -6.6949 -6.6949 -6.6949 -6.6949 -4.0636 -4.0636 -4.0636 -4.0636 -2.0737 -2.0737 -2.0736 -2.0736 2.4356 2.4356 2.4361 2.4361 2.6742 2.6742 2.6751 2.6751 3.7910 3.7910 3.7915 3.7915 4.7674 4.7674 4.7778 4.7778 4.8268 4.8268 4.8362 4.8362 5.8054 5.8054 5.8393 5.8393 6.0219 6.0219 6.0463 6.0463 6.9308 6.9308 6.9420 6.9420 11.3963 11.3963 11.4267 11.4267 11.8530 11.8530 11.9080 11.9080 12.1440 12.1440 12.1478 12.1478 k = 0.5000-0.0000 0.0562 ( 6154 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1332 -28.1332 -28.1332 -28.1332 -20.5272 -20.5272 -20.5272 -20.5272 -20.3591 -20.3591 -20.3591 -20.3591 -6.6949 -6.6949 -6.6949 -6.6949 -4.0637 -4.0637 -4.0637 -4.0637 -2.0737 -2.0737 -2.0736 -2.0736 2.4341 2.4341 2.4345 2.4345 2.6799 2.6799 2.6807 2.6807 3.7861 3.7861 3.7865 3.7865 4.7636 4.7636 4.7721 4.7721 4.8263 4.8263 4.8340 4.8340 5.8082 5.8082 5.8367 5.8367 6.0331 6.0331 6.0532 6.0532 6.9309 6.9309 6.9408 6.9408 11.3956 11.3956 11.4221 11.4221 11.8546 11.8546 11.9028 11.9028 12.1439 12.1439 12.1471 12.1471 k = 0.5000-0.0000 0.0449 ( 6160 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1332 -28.1332 -28.1332 -28.1332 -20.5272 -20.5272 -20.5272 -20.5272 -20.3592 -20.3592 -20.3592 -20.3592 -6.6949 -6.6949 -6.6949 -6.6949 -4.0637 -4.0637 -4.0637 -4.0637 -2.0737 -2.0737 -2.0736 -2.0736 2.4329 2.4329 2.4332 2.4332 2.6848 2.6848 2.6855 2.6855 3.7818 3.7818 3.7822 3.7822 4.7603 4.7603 4.7669 4.7669 4.8263 4.8263 4.8323 4.8323 5.8110 5.8110 5.8340 5.8340 6.0430 6.0430 6.0590 6.0590 6.9312 6.9312 6.9396 6.9396 11.3955 11.3955 11.4176 11.4176 11.8572 11.8572 11.8972 11.8972 12.1439 12.1439 12.1465 12.1465 k = 0.5000-0.0000 0.0337 ( 6156 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1332 -28.1332 -28.1332 -28.1332 -20.5272 -20.5272 -20.5272 -20.5272 -20.3591 -20.3591 -20.3591 -20.3591 -6.6949 -6.6949 -6.6949 -6.6949 -4.0638 -4.0638 -4.0638 -4.0638 -2.0736 -2.0736 -2.0736 -2.0736 2.4319 2.4319 2.4322 2.4322 2.6888 2.6888 2.6894 2.6894 3.7783 3.7783 3.7786 3.7786 4.7576 4.7576 4.7624 4.7624 4.8266 4.8266 4.8310 4.8310 5.8138 5.8138 5.8311 5.8311 6.0513 6.0513 6.0632 6.0632 6.9317 6.9317 6.9382 6.9382 11.3962 11.3962 11.4132 11.4132 11.8605 11.8605 11.8914 11.8914 12.1439 12.1439 12.1459 12.1459 k = 0.5000-0.0000 0.0225 ( 6158 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1332 -28.1332 -28.1332 -28.1332 -20.5272 -20.5272 -20.5272 -20.5272 -20.3591 -20.3591 -20.3591 -20.3591 -6.6949 -6.6949 -6.6949 -6.6949 -4.0638 -4.0638 -4.0638 -4.0638 -2.0736 -2.0736 -2.0736 -2.0736 2.4312 2.4312 2.4314 2.4314 2.6918 2.6918 2.6922 2.6922 3.7757 3.7757 3.7759 3.7759 4.7558 4.7558 4.7589 4.7589 4.8271 4.8271 4.8299 4.8299 5.8167 5.8167 5.8282 5.8282 6.0580 6.0580 6.0658 6.0658 6.9324 6.9324 6.9369 6.9369 11.3975 11.3975 11.4091 11.4091 11.8645 11.8645 11.8855 11.8855 12.1440 12.1440 12.1453 12.1453 k = 0.5000-0.0000 0.0112 ( 6158 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1332 -28.1332 -28.1332 -28.1332 -20.5272 -20.5272 -20.5272 -20.5272 -20.3592 -20.3592 -20.3592 -20.3592 -6.6949 -6.6949 -6.6949 -6.6949 -4.0638 -4.0638 -4.0638 -4.0638 -2.0736 -2.0736 -2.0736 -2.0736 2.4309 2.4309 2.4310 2.4310 2.6937 2.6937 2.6939 2.6939 3.7741 3.7741 3.7742 3.7742 4.7549 4.7549 4.7564 4.7564 4.8277 4.8277 4.8291 4.8291 5.8195 5.8195 5.8253 5.8253 6.0628 6.0628 6.0667 6.0667 6.9334 6.9334 6.9356 6.9356 11.3996 11.3996 11.4054 11.4054 11.8691 11.8691 11.8797 11.8797 12.1442 12.1442 12.1449 12.1449 k = 0.5000-0.0000-0.0000 ( 6154 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1332 -28.1332 -28.1332 -28.1332 -20.5272 -20.5272 -20.5272 -20.5272 -20.3591 -20.3591 -20.3591 -20.3591 -6.6949 -6.6949 -6.6949 -6.6949 -4.0638 -4.0638 -4.0638 -4.0638 -2.0736 -2.0736 -2.0736 -2.0736 2.4308 2.4308 2.4308 2.4308 2.6944 2.6944 2.6944 2.6944 3.7736 3.7736 3.7736 3.7736 4.7551 4.7551 4.7551 4.7551 4.8283 4.8283 4.8283 4.8283 5.8224 5.8224 5.8224 5.8224 6.0657 6.0657 6.0657 6.0657 6.9344 6.9344 6.9344 6.9344 11.4022 11.4022 11.4022 11.4022 11.8742 11.8742 11.8742 11.8742 12.1445 12.1445 12.1445 12.1445 k = 0.0000 0.0000 0.2021 ( 6162 PWs) bands (ev): -53.8123 -53.8123 -53.8114 -53.8114 -28.1167 -28.1167 -28.1088 -28.1088 -20.4645 -20.4645 -20.4326 -20.4326 -20.3483 -20.3483 -20.3280 -20.3280 -7.1618 -7.1618 -7.0794 -7.0794 -4.8845 -4.8845 -3.6335 -3.6335 -2.3316 -2.3316 -2.2992 -2.2992 2.0535 2.0535 2.1425 2.1425 2.2571 2.2571 3.2182 3.2182 4.1998 4.1998 4.3654 4.3654 4.5056 4.5056 5.4650 5.4650 5.7727 5.7727 6.1618 6.1618 7.0083 7.0083 7.3503 7.3503 7.4308 7.4308 7.4723 7.4723 7.5660 7.5660 7.6862 7.6862 8.8957 8.8957 9.6766 9.6766 11.5262 11.5262 11.5417 11.5417 12.0472 12.0472 12.0797 12.0797 k = 0.0114-0.0000 0.2021 ( 6162 PWs) bands (ev): -53.8123 -53.8123 -53.8114 -53.8114 -28.1167 -28.1167 -28.1088 -28.1088 -20.4645 -20.4645 -20.4327 -20.4327 -20.3484 -20.3484 -20.3281 -20.3281 -7.1614 -7.1614 -7.0787 -7.0787 -4.8842 -4.8842 -3.6334 -3.6334 -2.3313 -2.3313 -2.2990 -2.2990 2.0543 2.0543 2.1440 2.1440 2.2568 2.2568 3.2190 3.2190 4.2001 4.2001 4.3640 4.3640 4.5028 4.5028 5.4637 5.4637 5.7668 5.7668 6.1651 6.1651 7.0080 7.0080 7.3465 7.3465 7.4264 7.4264 7.4708 7.4708 7.5621 7.5621 7.6846 7.6846 8.9009 8.9009 9.6835 9.6835 11.5150 11.5150 11.5551 11.5551 12.0476 12.0476 12.0809 12.0809 k = 0.0227-0.0000 0.2021 ( 6162 PWs) bands (ev): -53.8123 -53.8123 -53.8114 -53.8114 -28.1168 -28.1168 -28.1089 -28.1089 -20.4645 -20.4645 -20.4328 -20.4328 -20.3487 -20.3487 -20.3284 -20.3284 -7.1601 -7.1601 -7.0765 -7.0765 -4.8834 -4.8834 -3.6332 -3.6332 -2.3304 -2.3304 -2.2981 -2.2981 2.0567 2.0567 2.1484 2.1484 2.2559 2.2559 3.2215 3.2215 4.2009 4.2009 4.3595 4.3595 4.4946 4.4946 5.4599 5.4599 5.7495 5.7495 6.1749 6.1749 7.0072 7.0072 7.3351 7.3351 7.4142 7.4142 7.4660 7.4660 7.5495 7.5495 7.6806 7.6806 8.9165 8.9165 9.7037 9.7037 11.5005 11.5005 11.5760 11.5760 12.0486 12.0486 12.0846 12.0846 k = 0.0341-0.0000 0.2021 ( 6168 PWs) bands (ev): -53.8122 -53.8122 -53.8114 -53.8114 -28.1169 -28.1169 -28.1090 -28.1090 -20.4647 -20.4647 -20.4331 -20.4331 -20.3492 -20.3492 -20.3289 -20.3289 -7.1579 -7.1579 -7.0729 -7.0729 -4.8820 -4.8820 -3.6329 -3.6329 -2.3289 -2.3289 -2.2967 -2.2967 2.0607 2.0607 2.1556 2.1556 2.2545 2.2545 3.2256 3.2256 4.2023 4.2023 4.3523 4.3523 4.4810 4.4810 5.4535 5.4535 5.7220 5.7220 6.1902 6.1902 7.0056 7.0056 7.3155 7.3155 7.3964 7.3964 7.4567 7.4567 7.5277 7.5277 7.6754 7.6754 8.9419 8.9419 9.7363 9.7363 11.4876 11.4876 11.5995 11.5995 12.0492 12.0492 12.0910 12.0910 k = 0.0455-0.0000 0.2021 ( 6170 PWs) bands (ev): -53.8122 -53.8122 -53.8114 -53.8114 -28.1171 -28.1171 -28.1092 -28.1092 -20.4648 -20.4648 -20.4334 -20.4334 -20.3499 -20.3499 -20.3297 -20.3297 -7.1548 -7.1548 -7.0678 -7.0678 -4.8800 -4.8800 -3.6324 -3.6324 -2.3269 -2.3269 -2.2947 -2.2947 2.0662 2.0662 2.1653 2.1653 2.2531 2.2531 3.2314 3.2314 4.2039 4.2039 4.3423 4.3423 4.4623 4.4623 5.4442 5.4442 5.6862 5.6862 6.2098 6.2098 7.0032 7.0032 7.2876 7.2876 7.3750 7.3750 7.4397 7.4397 7.5003 7.5003 7.6690 7.6690 8.9767 8.9767 9.7795 9.7795 11.4766 11.4766 11.6250 11.6250 12.0476 12.0476 12.0993 12.0993 k = 0.0568-0.0000 0.2021 ( 6178 PWs) bands (ev): -53.8122 -53.8122 -53.8113 -53.8113 -28.1174 -28.1174 -28.1095 -28.1095 -20.4651 -20.4651 -20.4338 -20.4338 -20.3508 -20.3508 -20.3305 -20.3305 -7.1508 -7.1508 -7.0615 -7.0615 -4.8775 -4.8775 -3.6319 -3.6319 -2.3242 -2.3242 -2.2922 -2.2922 2.0733 2.0733 2.1769 2.1769 2.2521 2.2521 3.2388 3.2388 4.2055 4.2055 4.3298 4.3298 4.4387 4.4387 5.4319 5.4319 5.6437 5.6437 6.2327 6.2327 6.9994 6.9994 7.2525 7.2525 7.3499 7.3499 7.4091 7.4091 7.4757 7.4757 7.6604 7.6604 9.0198 9.0198 9.8316 9.8316 11.4676 11.4676 11.6522 11.6522 12.0420 12.0420 12.1070 12.1070 k = 0.0682-0.0000 0.2021 ( 6180 PWs) bands (ev): -53.8121 -53.8121 -53.8113 -53.8113 -28.1176 -28.1176 -28.1098 -28.1098 -20.4654 -20.4654 -20.4343 -20.4343 -20.3518 -20.3518 -20.3316 -20.3316 -7.1460 -7.1460 -7.0538 -7.0538 -4.8743 -4.8743 -3.6312 -3.6312 -2.3210 -2.3210 -2.2891 -2.2891 2.0819 2.0819 2.1888 2.1888 2.2533 2.2533 3.2479 3.2479 4.2064 4.2064 4.3153 4.3153 4.4106 4.4106 5.4159 5.4159 5.5967 5.5967 6.2578 6.2578 6.9937 6.9937 7.2118 7.2118 7.3190 7.3190 7.3661 7.3661 7.4574 7.4574 7.6484 7.6484 9.0705 9.0705 9.8905 9.8905 11.4606 11.4606 11.6807 11.6807 12.0305 12.0305 12.1102 12.1102 k = 0.0795-0.0000 0.2021 ( 6180 PWs) bands (ev): -53.8120 -53.8120 -53.8112 -53.8112 -28.1180 -28.1180 -28.1101 -28.1101 -20.4658 -20.4658 -20.4349 -20.4349 -20.3529 -20.3529 -20.3327 -20.3327 -7.1402 -7.1402 -7.0449 -7.0449 -4.8705 -4.8705 -3.6305 -3.6305 -2.3172 -2.3172 -2.2855 -2.2855 2.0919 2.0919 2.1983 2.1983 2.2592 2.2592 3.2587 3.2587 4.2057 4.2057 4.2996 4.2996 4.3785 4.3785 5.3953 5.3953 5.5476 5.5476 6.2845 6.2845 6.9848 6.9848 7.1672 7.1672 7.2773 7.2773 7.3222 7.3222 7.4420 7.4420 7.6320 7.6320 9.1278 9.1278 9.9545 9.9545 11.4555 11.4555 11.7098 11.7098 12.0139 12.0139 12.1113 12.1114 k = 0.0909-0.0000 0.2021 ( 6188 PWs) bands (ev): -53.8120 -53.8120 -53.8111 -53.8111 -28.1184 -28.1184 -28.1105 -28.1105 -20.4663 -20.4663 -20.4357 -20.4357 -20.3542 -20.3542 -20.3340 -20.3340 -7.1336 -7.1336 -7.0348 -7.0348 -4.8661 -4.8661 -3.6298 -3.6298 -2.3129 -2.3129 -2.2814 -2.2814 2.1034 2.1034 2.2026 2.2026 2.2729 2.2729 3.2710 3.2710 4.2013 4.2013 4.2842 4.2842 4.3428 4.3428 5.3685 5.3685 5.4993 5.4993 6.3117 6.3117 6.9708 6.9708 7.1201 7.1201 7.2247 7.2247 7.2836 7.2836 7.4271 7.4271 7.6106 7.6106 9.1908 9.1908 10.0218 10.0218 11.4524 11.4524 11.7386 11.7386 11.9953 11.9953 12.1148 12.1148 k = 0.1023-0.0000 0.2021 ( 6194 PWs) bands (ev): -53.8119 -53.8119 -53.8111 -53.8111 -28.1188 -28.1188 -28.1110 -28.1110 -20.4669 -20.4669 -20.4366 -20.4366 -20.3556 -20.3556 -20.3354 -20.3354 -7.1262 -7.1262 -7.0236 -7.0236 -4.8609 -4.8609 -3.6291 -3.6291 -2.3080 -2.3080 -2.2769 -2.2769 2.1162 2.1162 2.2019 2.2019 2.2941 2.2941 3.2851 3.2851 4.1903 4.1903 4.2701 4.2701 4.3056 4.3056 5.3337 5.3337 5.4553 5.4553 6.3388 6.3388 6.9487 6.9487 7.0704 7.0704 7.1711 7.1711 7.2466 7.2466 7.4119 7.4119 7.5839 7.5839 9.2585 9.2585 10.0908 10.0908 11.4511 11.4511 11.7656 11.7656 11.9783 11.9783 12.1214 12.1214 k = 0.1136-0.0000 0.2021 ( 6194 PWs) bands (ev): -53.8118 -53.8118 -53.8110 -53.8110 -28.1192 -28.1192 -28.1115 -28.1115 -20.4676 -20.4676 -20.4376 -20.4376 -20.3570 -20.3570 -20.3369 -20.3369 -7.1179 -7.1179 -7.0115 -7.0115 -4.8551 -4.8551 -3.6285 -3.6285 -2.3027 -2.3027 -2.2718 -2.2718 2.1304 2.1304 2.1981 2.1981 2.3210 2.3210 3.3007 3.3007 4.1703 4.1703 4.2486 4.2486 4.2779 4.2779 5.2904 5.2904 5.4172 5.4172 6.3649 6.3649 6.9157 6.9157 7.0160 7.0160 7.1271 7.1271 7.2086 7.2086 7.3960 7.3960 7.5518 7.5518 9.3303 9.3303 10.1602 10.1602 11.4517 11.4517 11.7890 11.7890 11.9657 11.9657 12.1310 12.1310 k = 0.1250-0.0000 0.2021 ( 6194 PWs) bands (ev): -53.8117 -53.8117 -53.8109 -53.8109 -28.1197 -28.1197 -28.1120 -28.1120 -20.4684 -20.4684 -20.4388 -20.4388 -20.3585 -20.3585 -20.3383 -20.3383 -7.1088 -7.1088 -6.9985 -6.9985 -4.8484 -4.8484 -3.6279 -3.6279 -2.2969 -2.2969 -2.2663 -2.2663 2.1457 2.1457 2.1927 2.1927 2.3521 2.3521 3.3180 3.3180 4.1410 4.1410 4.2093 4.2093 4.2705 4.2705 5.2408 5.2408 5.3842 5.3842 6.3891 6.3891 6.8721 6.8721 6.9552 6.9552 7.0970 7.0970 7.1688 7.1688 7.3793 7.3793 7.5145 7.5145 9.4054 9.4054 10.2289 10.2289 11.4541 11.4541 11.8063 11.8063 11.9602 11.9602 12.1435 12.1435 k = 0.1364-0.0000 0.2021 ( 6190 PWs) bands (ev): -53.8116 -53.8116 -53.8108 -53.8108 -28.1201 -28.1201 -28.1125 -28.1125 -20.4694 -20.4694 -20.4401 -20.4401 -20.3600 -20.3600 -20.3398 -20.3398 -7.0990 -7.0990 -6.9846 -6.9846 -4.8410 -4.8410 -3.6275 -3.6275 -2.2906 -2.2906 -2.2604 -2.2604 2.1621 2.1621 2.1865 2.1865 2.3867 2.3867 3.3368 3.3368 4.1028 4.1028 4.1657 4.1657 4.2694 4.2694 5.1881 5.1881 5.3542 5.3542 6.4106 6.4106 6.8201 6.8201 6.8907 6.8907 7.0774 7.0774 7.1276 7.1276 7.3617 7.3617 7.4722 7.4722 9.4832 9.4832 10.2960 10.2960 11.4582 11.4582 11.8161 11.8161 11.9627 11.9627 12.1588 12.1588 k = 0.1477-0.0000 0.2021 ( 6190 PWs) bands (ev): -53.8115 -53.8115 -53.8107 -53.8107 -28.1207 -28.1207 -28.1132 -28.1132 -20.4705 -20.4705 -20.4416 -20.4416 -20.3616 -20.3616 -20.3413 -20.3413 -7.0884 -7.0884 -6.9700 -6.9700 -4.8327 -4.8327 -3.6273 -3.6273 -2.2839 -2.2839 -2.2541 -2.2541 2.1771 2.1771 2.1825 2.1825 2.4244 2.4244 3.3573 3.3573 4.0558 4.0558 4.1220 4.1220 4.2702 4.2702 5.1352 5.1352 5.3255 5.3255 6.4282 6.4282 6.7629 6.7629 6.8263 6.8263 7.0606 7.0606 7.0883 7.0883 7.3430 7.3430 7.4254 7.4254 9.5632 9.5632 10.3607 10.3607 11.4640 11.4640 11.8193 11.8193 11.9719 11.9719 12.1760 12.1760 k = 0.1591-0.0000 0.2021 ( 6192 PWs) bands (ev): -53.8113 -53.8113 -53.8106 -53.8106 -28.1212 -28.1212 -28.1138 -28.1138 -20.4718 -20.4718 -20.4434 -20.4434 -20.3631 -20.3631 -20.3428 -20.3428 -7.0771 -7.0771 -6.9549 -6.9549 -4.8235 -4.8235 -3.6274 -3.6274 -2.2768 -2.2768 -2.2474 -2.2474 2.1723 2.1723 2.1990 2.1990 2.4650 2.4650 3.3793 3.3793 4.0013 4.0013 4.0786 4.0786 4.2714 4.2714 5.0837 5.0837 5.2973 5.2973 6.4404 6.4404 6.7028 6.7028 6.7644 6.7644 7.0287 7.0287 7.0659 7.0659 7.3222 7.3222 7.3754 7.3754 9.6451 9.6451 10.4225 10.4225 11.4713 11.4713 11.8184 11.8184 11.9846 11.9846 12.1932 12.1932 k = 0.1705-0.0000 0.2021 ( 6188 PWs) bands (ev): -53.8112 -53.8112 -53.8105 -53.8105 -28.1217 -28.1217 -28.1145 -28.1145 -20.4733 -20.4733 -20.4453 -20.4453 -20.3645 -20.3645 -20.3442 -20.3442 -7.0652 -7.0652 -6.9392 -6.9392 -4.8133 -4.8133 -3.6278 -3.6278 -2.2694 -2.2694 -2.2404 -2.2404 2.1657 2.1657 2.2184 2.2184 2.5082 2.5082 3.4027 3.4027 3.9411 3.9411 4.0345 4.0345 4.2723 4.2723 5.0347 5.0347 5.2693 5.2693 6.4449 6.4449 6.6423 6.6423 6.7072 6.7072 6.9839 6.9839 7.0567 7.0567 7.2940 7.2940 7.3282 7.3282 9.7286 9.7286 10.4811 10.4811 11.4803 11.4803 11.8158 11.8158 11.9974 11.9974 12.2056 12.2056 k = 0.1818-0.0000 0.2021 ( 6182 PWs) bands (ev): -53.8111 -53.8111 -53.8104 -53.8104 -28.1223 -28.1223 -28.1152 -28.1152 -20.4750 -20.4750 -20.4473 -20.4473 -20.3659 -20.3659 -20.3455 -20.3455 -7.0527 -7.0527 -6.9231 -6.9231 -4.8022 -4.8022 -3.6286 -3.6286 -2.2616 -2.2616 -2.2332 -2.2332 2.1592 2.1592 2.2387 2.2387 2.5538 2.5538 3.4275 3.4275 3.8768 3.8768 3.9888 3.9888 4.2727 4.2727 4.9889 4.9889 5.2412 5.2412 6.4381 6.4381 6.5841 6.5841 6.6570 6.6570 6.9359 6.9359 7.0503 7.0503 7.2460 7.2460 7.2967 7.2967 9.8134 9.8134 10.5361 10.5361 11.4907 11.4907 11.8126 11.8126 12.0081 12.0081 12.2109 12.2109 k = 0.1932-0.0000 0.2021 ( 6178 PWs) bands (ev): -53.8109 -53.8109 -53.8102 -53.8102 -28.1229 -28.1229 -28.1159 -28.1159 -20.4769 -20.4769 -20.4496 -20.4496 -20.3671 -20.3671 -20.3467 -20.3467 -7.0396 -7.0396 -6.9068 -6.9068 -4.7900 -4.7900 -3.6298 -3.6298 -2.2535 -2.2535 -2.2256 -2.2256 2.1532 2.1532 2.2597 2.2597 2.6016 2.6016 3.4535 3.4535 3.8096 3.8096 3.9413 3.9413 4.2721 4.2721 4.9467 4.9467 5.2131 5.2131 6.4159 6.4159 6.5300 6.5300 6.6168 6.6168 6.8865 6.8865 7.0442 7.0442 7.1863 7.1863 7.2739 7.2739 9.8994 9.8994 10.5876 10.5876 11.5025 11.5025 11.8096 11.8096 12.0146 12.0146 12.2116 12.2116 k = 0.2045-0.0000 0.2021 ( 6178 PWs) bands (ev): -53.8108 -53.8108 -53.8101 -53.8101 -28.1236 -28.1236 -28.1166 -28.1166 -20.4789 -20.4789 -20.4521 -20.4521 -20.3683 -20.3683 -20.3478 -20.3478 -7.0261 -7.0261 -6.8903 -6.8903 -4.7767 -4.7767 -3.6316 -3.6316 -2.2452 -2.2452 -2.2179 -2.2179 2.1478 2.1478 2.2813 2.2813 2.6514 2.6514 3.4800 3.4800 3.7409 3.7409 3.8917 3.8917 4.2705 4.2705 4.9082 4.9082 5.1850 5.1850 6.3780 6.3780 6.4792 6.4792 6.5883 6.5883 6.8362 6.8362 7.0361 7.0361 7.1241 7.1241 7.2529 7.2529 9.9863 9.9863 10.6357 10.6357 11.5155 11.5155 11.8070 11.8070 12.0150 12.0150 12.2109 12.2109 k = 0.2159-0.0000 0.2021 ( 6180 PWs) bands (ev): -53.8106 -53.8106 -53.8100 -53.8100 -28.1242 -28.1242 -28.1174 -28.1174 -20.4812 -20.4812 -20.4548 -20.4548 -20.3693 -20.3693 -20.3488 -20.3488 -7.0121 -7.0121 -6.8738 -6.8738 -4.7622 -4.7622 -3.6340 -3.6340 -2.2366 -2.2366 -2.2099 -2.2099 2.1431 2.1431 2.3033 2.3033 2.7031 2.7031 3.5055 3.5055 3.6728 3.6728 3.8404 3.8404 4.2678 4.2678 4.8735 4.8735 5.1570 5.1570 6.3300 6.3300 6.4300 6.4300 6.5682 6.5682 6.7854 6.7854 7.0159 7.0159 7.0710 7.0710 7.2323 7.2323 10.0742 10.0742 10.6805 10.6805 11.5297 11.5297 11.8045 11.8045 12.0089 12.0089 12.2118 12.2118 k = 0.2273-0.0000 0.2021 ( 6180 PWs) bands (ev): -53.8105 -53.8105 -53.8099 -53.8099 -28.1249 -28.1249 -28.1182 -28.1182 -20.4836 -20.4836 -20.4578 -20.4578 -20.3701 -20.3701 -20.3498 -20.3498 -6.9978 -6.9978 -6.8574 -6.8574 -4.7466 -4.7466 -3.6371 -3.6371 -2.2279 -2.2279 -2.2019 -2.2019 2.1394 2.1394 2.3256 2.3256 2.7563 2.7563 3.5216 3.5216 3.6137 3.6137 3.7880 3.7880 4.2638 4.2638 4.8424 4.8424 5.1290 5.1290 6.2777 6.2777 6.3821 6.3821 6.5514 6.5514 6.7344 6.7344 6.9632 6.9632 7.0481 7.0481 7.2119 7.2119 10.1629 10.1629 10.7224 10.7224 11.5446 11.5446 11.8021 11.8021 11.9970 11.9970 12.2152 12.2152 k = 0.2386-0.0000 0.2021 ( 6176 PWs) bands (ev): -53.8104 -53.8104 -53.8097 -53.8097 -28.1255 -28.1255 -28.1190 -28.1190 -20.4862 -20.4862 -20.4609 -20.4609 -20.3707 -20.3707 -20.3506 -20.3506 -6.9832 -6.9832 -6.8411 -6.8411 -4.7298 -4.7298 -3.6409 -3.6409 -2.2190 -2.2190 -2.1937 -2.1937 2.1368 2.1368 2.3480 2.3480 2.8107 2.8107 3.4954 3.4954 3.5955 3.5955 3.7366 3.7366 4.2585 4.2585 4.8148 4.8148 5.1012 5.1012 6.2241 6.2241 6.3361 6.3361 6.5343 6.5343 6.6834 6.6834 6.8945 6.8945 7.0396 7.0396 7.1918 7.1918 10.2524 10.2524 10.7617 10.7617 11.5601 11.5601 11.7995 11.7995 11.9814 11.9814 12.2207 12.2207 k = 0.2500-0.0000 0.2021 ( 6174 PWs) bands (ev): -53.8102 -53.8102 -53.8096 -53.8096 -28.1261 -28.1261 -28.1198 -28.1198 -20.4888 -20.4888 -20.4642 -20.4642 -20.3711 -20.3711 -20.3513 -20.3513 -6.9683 -6.9683 -6.8252 -6.8252 -4.7117 -4.7117 -3.6455 -3.6455 -2.2101 -2.2101 -2.1854 -2.1854 2.1353 2.1353 2.3704 2.3704 2.8661 2.8661 3.4337 3.4337 3.6028 3.6028 3.6955 3.6955 4.2518 4.2518 4.7906 4.7906 5.0737 5.0737 6.1704 6.1704 6.2928 6.2928 6.5150 6.5150 6.6328 6.6328 6.8219 6.8219 7.0339 7.0339 7.1719 7.1719 10.3425 10.3425 10.7989 10.7989 11.5754 11.5754 11.7965 11.7965 11.9646 11.9646 12.2272 12.2272 k = 0.2614-0.0000 0.2021 ( 6170 PWs) bands (ev): -53.8101 -53.8101 -53.8095 -53.8095 -28.1267 -28.1267 -28.1207 -28.1207 -20.4916 -20.4916 -20.4676 -20.4676 -20.3714 -20.3714 -20.3519 -20.3519 -6.9532 -6.9532 -6.8096 -6.8096 -4.6923 -4.6923 -3.6511 -3.6511 -2.2010 -2.2010 -2.1772 -2.1772 2.1351 2.1351 2.3926 2.3926 2.9217 2.9217 3.3661 3.3661 3.5808 3.5808 3.6915 3.6915 4.2437 4.2437 4.7696 4.7696 5.0467 5.0467 6.1172 6.1172 6.2527 6.2527 6.4925 6.4925 6.5828 6.5828 6.7481 6.7481 7.0288 7.0288 7.1524 7.1524 10.4331 10.4331 10.8344 10.8344 11.5898 11.5898 11.7931 11.7931 11.9489 11.9489 12.2336 12.2336 k = 0.2727-0.0000 0.2021 ( 6168 PWs) bands (ev): -53.8099 -53.8099 -53.8093 -53.8093 -28.1274 -28.1274 -28.1215 -28.1215 -20.4944 -20.4944 -20.4711 -20.4711 -20.3715 -20.3715 -20.3524 -20.3524 -6.9380 -6.9380 -6.7946 -6.7946 -4.6717 -4.6717 -3.6577 -3.6577 -2.1920 -2.1920 -2.1690 -2.1690 2.1363 2.1363 2.4144 2.4144 2.9765 2.9765 3.2993 3.2993 3.5307 3.5307 3.7179 3.7179 4.2341 4.2341 4.7516 4.7516 5.0205 5.0205 6.0646 6.0646 6.2158 6.2158 6.4659 6.4659 6.5337 6.5337 6.6745 6.6745 7.0240 7.0240 7.1333 7.1333 10.5241 10.5241 10.8688 10.8688 11.6023 11.6023 11.7898 11.7898 11.9359 11.9359 12.2388 12.2388 k = 0.2841-0.0000 0.2021 ( 6170 PWs) bands (ev): -53.8097 -53.8097 -53.8092 -53.8092 -28.1280 -28.1280 -28.1223 -28.1223 -20.4973 -20.4973 -20.4748 -20.4748 -20.3715 -20.3715 -20.3528 -20.3528 -6.9227 -6.9227 -6.7802 -6.7802 -4.6497 -4.6497 -3.6653 -3.6653 -2.1830 -2.1830 -2.1608 -2.1608 2.1390 2.1390 2.4357 2.4357 3.0281 3.0281 3.2372 3.2372 3.4730 3.4730 3.7537 3.7537 4.2230 4.2230 4.7365 4.7365 4.9952 4.9952 6.0124 6.0124 6.1820 6.1820 6.4347 6.4347 6.4859 6.4859 6.6023 6.6023 7.0192 7.0192 7.1147 7.1147 10.6150 10.6150 10.9028 10.9028 11.6112 11.6112 11.7876 11.7876 11.9268 11.9268 12.2421 12.2421 k = 0.2955-0.0000 0.2021 ( 6178 PWs) bands (ev): -53.8096 -53.8096 -53.8091 -53.8091 -28.1286 -28.1286 -28.1232 -28.1232 -20.5002 -20.5002 -20.4785 -20.4785 -20.3713 -20.3713 -20.3533 -20.3533 -6.9074 -6.9074 -6.7665 -6.7665 -4.6265 -4.6265 -3.6741 -3.6741 -2.1741 -2.1741 -2.1528 -2.1528 2.1431 2.1431 2.4563 2.4563 3.0657 3.0657 3.1904 3.1904 3.4133 3.4133 3.7935 3.7935 4.2102 4.2102 4.7241 4.7241 4.9715 4.9715 5.9604 5.9604 6.1512 6.1512 6.3984 6.3984 6.4392 6.4392 6.5334 6.5334 7.0144 7.0144 7.0968 7.0968 10.7054 10.7054 10.9370 10.9370 11.6153 11.6153 11.7883 11.7883 11.9221 11.9221 12.2431 12.2431 k = 0.3068-0.0000 0.2021 ( 6176 PWs) bands (ev): -53.8095 -53.8095 -53.8090 -53.8090 -28.1292 -28.1292 -28.1239 -28.1239 -20.5030 -20.5030 -20.4823 -20.4823 -20.3710 -20.3710 -20.3536 -20.3536 -6.8922 -6.8922 -6.7536 -6.7536 -4.6020 -4.6020 -3.6840 -3.6840 -2.1653 -2.1653 -2.1450 -2.1450 2.1489 2.1489 2.4758 2.4758 3.0577 3.0577 3.1897 3.1897 3.3544 3.3544 3.8357 3.8357 4.1959 4.1959 4.7145 4.7145 4.9496 4.9496 5.9085 5.9085 6.1228 6.1228 6.3566 6.3566 6.3929 6.3929 6.4699 6.4699 7.0094 7.0094 7.0796 7.0796 10.7941 10.7941 10.9726 10.9726 11.6138 11.6138 11.7930 11.7930 11.9214 11.9214 12.2412 12.2412 k = 0.3182-0.0000 0.2021 ( 6176 PWs) bands (ev): -53.8093 -53.8093 -53.8089 -53.8089 -28.1298 -28.1298 -28.1247 -28.1247 -20.5059 -20.5059 -20.4860 -20.4860 -20.3706 -20.3706 -20.3539 -20.3539 -6.8771 -6.8771 -6.7416 -6.7416 -4.5762 -4.5762 -3.6953 -3.6953 -2.1567 -2.1567 -2.1373 -2.1373 2.1562 2.1562 2.4942 2.4942 3.0125 3.0125 3.2195 3.2195 3.3045 3.3045 3.8799 3.8799 4.1800 4.1800 4.7074 4.7074 4.9299 4.9299 5.8563 5.8563 6.0961 6.0961 6.3092 6.3092 6.3466 6.3466 6.4138 6.4138 7.0044 7.0044 7.0631 7.0631 10.8791 10.8791 11.0116 11.0116 11.6075 11.6075 11.8020 11.8020 11.9244 11.9244 12.2363 12.2363 k = 0.3295-0.0000 0.2021 ( 6176 PWs) bands (ev): -53.8092 -53.8092 -53.8088 -53.8088 -28.1303 -28.1303 -28.1255 -28.1255 -20.5086 -20.5086 -20.4898 -20.4898 -20.3701 -20.3701 -20.3541 -20.3541 -6.8621 -6.8621 -6.7305 -6.7305 -4.5493 -4.5493 -3.7078 -3.7078 -2.1483 -2.1483 -2.1299 -2.1299 2.1651 2.1651 2.5112 2.5112 2.9602 2.9602 3.2067 3.2067 3.3070 3.3070 3.9255 3.9255 4.1629 4.1629 4.7029 4.7029 4.9129 4.9129 5.8034 5.8034 6.0707 6.0707 6.2568 6.2568 6.3015 6.3015 6.3646 6.3646 6.9993 6.9993 7.0476 7.0476 10.9558 10.9558 11.0580 11.0580 11.5984 11.5984 11.8141 11.8141 11.9304 11.9305 12.2284 12.2284 k = 0.3409-0.0000 0.2021 ( 6162 PWs) bands (ev): -53.8090 -53.8090 -53.8086 -53.8086 -28.1308 -28.1308 -28.1262 -28.1262 -20.5112 -20.5112 -20.4934 -20.4934 -20.3695 -20.3695 -20.3543 -20.3543 -6.8474 -6.8474 -6.7204 -6.7204 -4.5211 -4.5211 -3.7218 -3.7218 -2.1402 -2.1402 -2.1228 -2.1228 2.1757 2.1757 2.5266 2.5266 2.9087 2.9087 3.1545 3.1545 3.3513 3.3513 3.9720 3.9720 4.1452 4.1452 4.7011 4.7011 4.8987 4.8987 5.7493 5.7493 6.0456 6.0456 6.2023 6.2023 6.2588 6.2588 6.3200 6.3200 6.9942 6.9942 7.0330 7.0330 11.0184 11.0184 11.1170 11.1170 11.5890 11.5890 11.8279 11.8279 11.9392 11.9392 12.2178 12.2178 k = 0.3523-0.0000 0.2021 ( 6158 PWs) bands (ev): -53.8089 -53.8089 -53.8085 -53.8085 -28.1312 -28.1312 -28.1270 -28.1270 -20.5138 -20.5138 -20.4970 -20.4970 -20.3688 -20.3688 -20.3545 -20.3545 -6.8330 -6.8330 -6.7113 -6.7113 -4.4919 -4.4919 -3.7372 -3.7372 -2.1323 -2.1323 -2.1161 -2.1161 2.1879 2.1879 2.5402 2.5402 2.8600 2.8600 3.0973 3.0973 3.4011 3.4011 4.0173 4.0173 4.1289 4.1289 4.7017 4.7017 4.8874 4.8874 5.6935 5.6935 6.0202 6.0202 6.1491 6.1491 6.2186 6.2186 6.2780 6.2780 6.9891 6.9891 7.0194 7.0194 11.0678 11.0678 11.1862 11.1862 11.5816 11.5816 11.8421 11.8421 11.9503 11.9503 12.2050 12.2050 k = 0.3636-0.0000 0.2021 ( 6156 PWs) bands (ev): -53.8088 -53.8088 -53.8084 -53.8084 -28.1316 -28.1316 -28.1277 -28.1277 -20.5161 -20.5161 -20.5005 -20.5005 -20.3681 -20.3681 -20.3547 -20.3547 -6.8189 -6.8189 -6.7034 -6.7034 -4.4617 -4.4617 -3.7540 -3.7540 -2.1248 -2.1248 -2.1097 -2.1097 2.2016 2.2016 2.5516 2.5516 2.8148 2.8148 3.0403 3.0403 3.4507 3.4507 4.0525 4.0525 4.1231 4.1231 4.7050 4.7050 4.8791 4.8791 5.6357 5.6357 5.9939 5.9939 6.1000 6.1000 6.1807 6.1807 6.2378 6.2378 6.9839 6.9839 7.0069 7.0069 11.1106 11.1106 11.2564 11.2564 11.5791 11.5791 11.8555 11.8555 11.9634 11.9634 12.1909 12.1909 k = 0.3750-0.0000 0.2021 ( 6156 PWs) bands (ev): -53.8087 -53.8087 -53.8084 -53.8084 -28.1320 -28.1320 -28.1284 -28.1284 -20.5184 -20.5184 -20.5039 -20.5039 -20.3673 -20.3673 -20.3549 -20.3549 -6.8052 -6.8052 -6.6965 -6.6965 -4.4306 -4.4306 -3.7722 -3.7722 -2.1177 -2.1177 -2.1037 -2.1037 2.2169 2.2169 2.5609 2.5609 2.7737 2.7737 2.9848 2.9848 3.4985 3.4985 4.0562 4.0562 4.1498 4.1498 4.7107 4.7107 4.8735 4.8735 5.5754 5.5754 5.9662 5.9662 6.0566 6.0566 6.1449 6.1449 6.1991 6.1991 6.9788 6.9788 6.9956 6.9956 11.1511 11.1511 11.3193 11.3193 11.5853 11.5853 11.8674 11.8674 11.9785 11.9785 12.1767 12.1767 k = 0.3864-0.0000 0.2021 ( 6158 PWs) bands (ev): -53.8086 -53.8086 -53.8083 -53.8083 -28.1324 -28.1324 -28.1290 -28.1290 -20.5204 -20.5204 -20.5071 -20.5071 -20.3666 -20.3666 -20.3552 -20.3552 -6.7920 -6.7920 -6.6908 -6.6908 -4.3986 -4.3986 -3.7920 -3.7920 -2.1110 -2.1110 -2.0982 -2.0982 2.2335 2.2335 2.5676 2.5676 2.7369 2.7369 2.9313 2.9313 3.5440 3.5440 4.0402 4.0402 4.1973 4.1973 4.7189 4.7189 4.8705 4.8705 5.5127 5.5127 5.9375 5.9375 6.0192 6.0192 6.1110 6.1110 6.1622 6.1622 6.9738 6.9738 6.9853 6.9853 11.1905 11.1905 11.3686 11.3686 11.6039 11.6039 11.8772 11.8772 11.9954 11.9954 12.1636 12.1636 k = 0.3977-0.0000 0.2021 ( 6172 PWs) bands (ev): -53.8085 -53.8085 -53.8082 -53.8082 -28.1328 -28.1328 -28.1297 -28.1297 -20.5222 -20.5222 -20.5102 -20.5102 -20.3658 -20.3658 -20.3555 -20.3555 -6.7793 -6.7793 -6.6862 -6.6862 -4.3660 -4.3660 -3.8132 -3.8132 -2.1048 -2.1048 -2.0932 -2.0932 2.2515 2.2515 2.5716 2.5716 2.7045 2.7045 2.8803 2.8803 3.5865 3.5865 4.0196 4.0196 4.2508 4.2508 4.7294 4.7294 4.8697 4.8697 5.4478 5.4478 5.9090 5.9090 5.9870 5.9870 6.0791 6.0791 6.1275 6.1275 6.9688 6.9688 6.9763 6.9763 11.2289 11.2289 11.4019 11.4019 11.6357 11.6357 11.8849 11.8849 12.0139 12.0139 12.1528 12.1528 k = 0.4091-0.0000 0.2021 ( 6162 PWs) bands (ev): -53.8084 -53.8084 -53.8081 -53.8081 -28.1330 -28.1330 -28.1302 -28.1302 -20.5238 -20.5238 -20.5130 -20.5130 -20.3650 -20.3650 -20.3557 -20.3557 -6.7671 -6.7671 -6.6827 -6.6827 -4.3328 -4.3328 -3.8359 -3.8359 -2.0990 -2.0990 -2.0886 -2.0886 2.2708 2.2708 2.5728 2.5728 2.6766 2.6766 2.8324 2.8324 3.6260 3.6260 3.9979 3.9979 4.3070 4.3070 4.7418 4.7418 4.8705 4.8705 5.3810 5.3810 5.8821 5.8821 5.9585 5.9585 6.0494 6.0494 6.0954 6.0954 6.9640 6.9640 6.9685 6.9685 11.2657 11.2657 11.4223 11.4223 11.6756 11.6756 11.8911 11.8911 12.0339 12.0339 12.1451 12.1451 k = 0.4205-0.0000 0.2021 ( 6166 PWs) bands (ev): -53.8083 -53.8083 -53.8081 -53.8081 -28.1332 -28.1332 -28.1308 -28.1308 -20.5252 -20.5252 -20.5157 -20.5157 -20.3642 -20.3642 -20.3560 -20.3560 -6.7555 -6.7555 -6.6804 -6.6804 -4.2991 -4.2991 -3.8600 -3.8600 -2.0938 -2.0938 -2.0846 -2.0846 2.2912 2.2912 2.5709 2.5709 2.6534 2.6534 2.7878 2.7878 3.6623 3.6623 3.9763 3.9763 4.3652 4.3652 4.7559 4.7559 4.8724 4.8724 5.3126 5.3126 5.8580 5.8580 5.9326 5.9326 6.0221 6.0221 6.0661 6.0661 6.9592 6.9592 6.9621 6.9621 11.2999 11.2999 11.4355 11.4355 11.7160 11.7160 11.8968 11.8968 12.0550 12.0550 12.1408 12.1408 k = 0.4318-0.0000 0.2021 ( 6170 PWs) bands (ev): -53.8082 -53.8082 -53.8080 -53.8080 -28.1334 -28.1334 -28.1313 -28.1313 -20.5263 -20.5263 -20.5182 -20.5182 -20.3634 -20.3634 -20.3563 -20.3563 -6.7445 -6.7445 -6.6793 -6.6793 -4.2651 -4.2651 -3.8855 -3.8855 -2.0891 -2.0891 -2.0812 -2.0812 2.3126 2.3126 2.5656 2.5656 2.6348 2.6348 2.7473 2.7473 3.6953 3.6953 3.9552 3.9552 4.4249 4.4249 4.7711 4.7711 4.8748 4.8748 5.2434 5.2434 5.8374 5.8374 5.9084 5.9084 5.9982 5.9982 6.0397 6.0397 6.9544 6.9544 6.9571 6.9571 11.3305 11.3305 11.4453 11.4453 11.7522 11.7522 11.9032 11.9032 12.0765 12.0765 12.1395 12.1395 k = 0.4432-0.0000 0.2021 ( 6168 PWs) bands (ev): -53.8081 -53.8081 -53.8080 -53.8080 -28.1335 -28.1335 -28.1317 -28.1317 -20.5272 -20.5272 -20.5203 -20.5203 -20.3626 -20.3626 -20.3567 -20.3567 -6.7343 -6.7343 -6.6792 -6.6792 -4.2310 -4.2310 -3.9123 -3.9123 -2.0850 -2.0850 -2.0784 -2.0784 2.3350 2.3350 2.5565 2.5565 2.6206 2.6206 2.7115 2.7115 3.7252 3.7252 3.9347 3.9347 4.4861 4.4861 4.7866 4.7866 4.8771 4.8771 5.1737 5.1737 5.8209 5.8209 5.8855 5.8855 5.9782 5.9782 6.0163 6.0163 6.9502 6.9502 6.9530 6.9530 11.3567 11.3567 11.4530 11.4530 11.7827 11.7827 11.9102 11.9102 12.0969 12.0969 12.1408 12.1408 k = 0.4545-0.0000 0.2021 ( 6160 PWs) bands (ev): -53.8081 -53.8081 -53.8080 -53.8080 -28.1335 -28.1335 -28.1321 -28.1321 -20.5277 -20.5277 -20.5222 -20.5222 -20.3619 -20.3619 -20.3571 -20.3571 -6.7248 -6.7248 -6.6803 -6.6803 -4.1968 -4.1968 -3.9403 -3.9403 -2.0815 -2.0815 -2.0762 -2.0762 2.3582 2.3582 2.5432 2.5432 2.6110 2.6110 2.6810 2.6810 3.7522 3.7522 3.9150 3.9150 4.5484 4.5484 4.8018 4.8018 4.8788 4.8788 5.1042 5.1042 5.8086 5.8086 5.8642 5.8642 5.9627 5.9627 5.9959 5.9959 6.9468 6.9468 6.9496 6.9496 11.3788 11.3788 11.4581 11.4581 11.8093 11.8093 11.9164 11.9164 12.1146 12.1146 12.1438 12.1438 k = 0.4659-0.0000 0.2021 ( 6156 PWs) bands (ev): -53.8080 -53.8080 -53.8079 -53.8079 -28.1335 -28.1335 -28.1325 -28.1325 -20.5280 -20.5280 -20.5239 -20.5239 -20.3611 -20.3611 -20.3575 -20.3575 -6.7161 -6.7161 -6.6824 -6.6824 -4.1628 -4.1628 -3.9695 -3.9695 -2.0786 -2.0786 -2.0746 -2.0746 2.3821 2.3821 2.5257 2.5257 2.6056 2.6056 2.6564 2.6564 3.7767 3.7767 3.8958 3.8958 4.6116 4.6116 4.8154 4.8154 4.8794 4.8794 5.0357 5.0357 5.8007 5.8007 5.8447 5.8447 5.9520 5.9520 5.9786 5.9786 6.9443 6.9443 6.9468 6.9468 11.3975 11.3975 11.4596 11.4596 11.8339 11.8339 11.9197 11.9197 12.1283 12.1283 12.1475 12.1475 k = 0.4773-0.0000 0.2021 ( 6156 PWs) bands (ev): -53.8080 -53.8080 -53.8079 -53.8079 -28.1334 -28.1334 -28.1328 -28.1328 -20.5280 -20.5280 -20.5253 -20.5253 -20.3604 -20.3604 -20.3581 -20.3581 -6.7082 -6.7082 -6.6856 -6.6856 -4.1291 -4.1291 -3.9998 -3.9998 -2.0763 -2.0763 -2.0736 -2.0736 2.4066 2.4066 2.5047 2.5047 2.6043 2.6043 2.6373 2.6373 3.7992 3.7992 3.8771 3.8771 4.6753 4.6753 4.8251 4.8251 4.8788 4.8788 4.9700 4.9700 5.7974 5.7974 5.8278 5.8278 5.9460 5.9460 5.9646 5.9646 6.9427 6.9427 6.9446 6.9446 11.4137 11.4137 11.4569 11.4569 11.8575 11.8575 11.9182 11.9182 12.1379 12.1379 12.1504 12.1504 k = 0.4886-0.0000 0.2021 ( 6168 PWs) bands (ev): -53.8080 -53.8080 -53.8079 -53.8079 -28.1334 -28.1334 -28.1331 -28.1331 -20.5278 -20.5278 -20.5264 -20.5264 -20.3598 -20.3598 -20.3586 -20.3586 -6.7011 -6.7011 -6.6898 -6.6898 -4.0958 -4.0958 -4.0310 -4.0310 -2.0747 -2.0747 -2.0733 -2.0733 2.4315 2.4315 2.4813 2.4813 2.6068 2.6068 2.6230 2.6230 3.8200 3.8200 3.8585 3.8585 4.7378 4.7378 4.8241 4.8241 4.8783 4.8783 4.9137 4.9137 5.7986 5.7986 5.8141 5.8141 5.9445 5.9445 5.9541 5.9541 6.9420 6.9420 6.9430 6.9430 11.4280 11.4280 11.4502 11.4502 11.8793 11.8793 11.9108 11.9108 12.1446 12.1447 12.1511 12.1511 k = 0.5000-0.0000 0.2021 ( 6164 PWs) bands (ev): -53.8079 -53.8079 -53.8079 -53.8079 -28.1333 -28.1333 -28.1333 -28.1333 -20.5272 -20.5272 -20.5272 -20.5272 -20.3592 -20.3592 -20.3592 -20.3592 -6.6950 -6.6950 -6.6950 -6.6950 -4.0630 -4.0630 -4.0630 -4.0630 -2.0737 -2.0737 -2.0737 -2.0737 2.4566 2.4566 2.4566 2.4566 2.6130 2.6130 2.6130 2.6130 3.8396 3.8396 3.8396 3.8396 4.7936 4.7936 4.7936 4.7936 4.8841 4.8841 4.8841 4.8841 5.8042 5.8042 5.8042 5.8042 5.9473 5.9473 5.9473 5.9473 6.9421 6.9421 6.9421 6.9421 11.4403 11.4403 11.4403 11.4403 11.8976 11.8976 11.8976 11.8976 12.1491 12.1491 12.1491 12.1491 Writing output data file HfS3.save init_run : 0.30s CPU 0.43s WALL ( 1 calls) electrons : 285.02s CPU 288.30s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 285.01s CPU 288.29s 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 : 0.08s CPU 0.12s WALL ( 277 calls) cegterg : 262.29s CPU 264.94s WALL ( 390 calls) Called by sum_band: Called by *egterg: h_psi : 139.25s CPU 141.09s WALL ( 6626 calls) s_psi : 20.11s CPU 20.29s WALL ( 6626 calls) g_psi : 0.49s CPU 0.41s WALL ( 5959 calls) cdiaghg : 84.41s CPU 84.88s WALL ( 6236 calls) cegterg:over : 12.76s CPU 13.01s WALL ( 5959 calls) cegterg:upda : 12.14s CPU 12.34s WALL ( 5959 calls) cegterg:last : 6.44s CPU 6.49s WALL ( 1130 calls) cdiaghg:chol : 5.18s CPU 4.98s WALL ( 6236 calls) cdiaghg:inve : 3.53s CPU 3.59s WALL ( 6236 calls) cdiaghg:para : 6.50s CPU 6.41s WALL ( 12472 calls) Called by h_psi: h_psi:vloc : 107.46s CPU 109.16s WALL ( 6626 calls) h_psi:vnl : 31.34s CPU 31.49s WALL ( 6626 calls) add_vuspsi : 17.51s CPU 17.56s WALL ( 6626 calls) General routines calbec : 13.78s CPU 13.91s WALL ( 6626 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 101.52s CPU 103.02s WALL ( 964596 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.22s CPU 0.29s WALL ( 554 calls) Parallel routines fft_scatter : 33.33s CPU 34.20s WALL ( 964619 calls) PWSCF : 5m 7.44s CPU 5m23.17s WALL This run was terminated on: 19: 3:39 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=