Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16: 0:33 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: ./Li2FeBr4.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 137 137 38 4275 4275 624 Max 138 138 39 4278 4278 627 Sum 4945 4945 1375 153955 153955 22507 bravais-lattice index = 14 lattice parameter (alat) = 12.6541 a.u. unit-cell volume = 1090.9822 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.654102 celldm(2)= 1.000000 celldm(3)= 0.571050 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.333174 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.333174 0.942865 0.000000 ) a(3) = ( 0.000000 0.000000 0.571050 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.353364 -0.000000 ) b(2) = ( 0.000000 1.060597 -0.000000 ) b(3) = ( 0.000000 0.000000 1.751161 ) PseudoPot. # 1 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Br read from file: /users/gautes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1213 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Li 3.00 6.94100 Li( 1.00) Fe 8.00 55.84500 Fe( 1.00) Br 7.00 79.90400 Br( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 358 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 2) = ( 0.0120982 0.0171064 -0.0000000), wk = 0.0027933 k( 3) = ( 0.0241964 0.0342128 -0.0000000), wk = 0.0027933 k( 4) = ( 0.0362946 0.0513192 -0.0000000), wk = 0.0027933 k( 5) = ( 0.0483929 0.0684256 -0.0000000), wk = 0.0027933 k( 6) = ( 0.0604911 0.0855320 -0.0000000), wk = 0.0027933 k( 7) = ( 0.0725893 0.1026384 -0.0000000), wk = 0.0027933 k( 8) = ( 0.0846875 0.1197448 -0.0000000), wk = 0.0027933 k( 9) = ( 0.0967857 0.1368512 -0.0000000), wk = 0.0027933 k( 10) = ( 0.1088839 0.1539576 -0.0000000), wk = 0.0027933 k( 11) = ( 0.1209822 0.1710640 -0.0000000), wk = 0.0027933 k( 12) = ( 0.1330804 0.1881704 -0.0000000), wk = 0.0027933 k( 13) = ( 0.1451786 0.2052768 -0.0000000), wk = 0.0027933 k( 14) = ( 0.1572768 0.2223832 -0.0000000), wk = 0.0027933 k( 15) = ( 0.1693750 0.2394896 -0.0000000), wk = 0.0027933 k( 16) = ( 0.1814732 0.2565960 -0.0000000), wk = 0.0027933 k( 17) = ( 0.1935715 0.2737024 -0.0000000), wk = 0.0027933 k( 18) = ( 0.2056697 0.2908088 -0.0000000), wk = 0.0027933 k( 19) = ( 0.2177679 0.3079153 -0.0000000), wk = 0.0027933 k( 20) = ( 0.2298661 0.3250217 -0.0000000), wk = 0.0027933 k( 21) = ( 0.2419643 0.3421281 -0.0000000), wk = 0.0027933 k( 22) = ( 0.2540625 0.3592345 -0.0000000), wk = 0.0027933 k( 23) = ( 0.2661608 0.3763409 -0.0000000), wk = 0.0027933 k( 24) = ( 0.2782590 0.3934473 -0.0000000), wk = 0.0027933 k( 25) = ( 0.2903572 0.4105537 -0.0000000), wk = 0.0027933 k( 26) = ( 0.3024554 0.4276601 -0.0000000), wk = 0.0027933 k( 27) = ( 0.3145536 0.4447665 -0.0000000), wk = 0.0027933 k( 28) = ( 0.3266518 0.4618729 -0.0000000), wk = 0.0027933 k( 29) = ( 0.3387501 0.4789793 -0.0000000), wk = 0.0027933 k( 30) = ( 0.3508483 0.4960857 -0.0000000), wk = 0.0027933 k( 31) = ( 0.3629465 0.5131921 -0.0000000), wk = 0.0027933 k( 32) = ( 0.3750447 0.5302985 -0.0000000), wk = 0.0027933 k( 33) = ( 0.3750447 0.5302985 -0.0000000), wk = 0.0027933 k( 34) = ( 0.3542089 0.5302985 -0.0000000), wk = 0.0027933 k( 35) = ( 0.3333731 0.5302985 -0.0000000), wk = 0.0027933 k( 36) = ( 0.3125372 0.5302985 -0.0000000), wk = 0.0027933 k( 37) = ( 0.2917014 0.5302985 -0.0000000), wk = 0.0027933 k( 38) = ( 0.2708656 0.5302985 -0.0000000), wk = 0.0027933 k( 39) = ( 0.2500298 0.5302985 -0.0000000), wk = 0.0027933 k( 40) = ( 0.2291940 0.5302985 -0.0000000), wk = 0.0027933 k( 41) = ( 0.2083582 0.5302985 -0.0000000), wk = 0.0027933 k( 42) = ( 0.1875224 0.5302985 -0.0000000), wk = 0.0027933 k( 43) = ( 0.1666865 0.5302985 -0.0000000), wk = 0.0027933 k( 44) = ( 0.1458507 0.5302985 -0.0000000), wk = 0.0027933 k( 45) = ( 0.1250149 0.5302985 -0.0000000), wk = 0.0027933 k( 46) = ( 0.1041791 0.5302985 -0.0000000), wk = 0.0027933 k( 47) = ( 0.0833433 0.5302985 -0.0000000), wk = 0.0027933 k( 48) = ( 0.0625075 0.5302985 -0.0000000), wk = 0.0027933 k( 49) = ( 0.0416716 0.5302985 -0.0000000), wk = 0.0027933 k( 50) = ( 0.0208358 0.5302985 -0.0000000), wk = 0.0027933 k( 51) = ( 0.0000000 0.5302985 -0.0000000), wk = 0.0027933 k( 52) = ( 0.0000000 0.5302985 -0.0000000), wk = 0.0027933 k( 53) = ( 0.0000000 0.5302985 0.0208471), wk = 0.0027933 k( 54) = ( 0.0000000 0.5302985 0.0416943), wk = 0.0027933 k( 55) = ( 0.0000000 0.5302985 0.0625415), wk = 0.0027933 k( 56) = ( 0.0000000 0.5302985 0.0833886), wk = 0.0027933 k( 57) = ( 0.0000000 0.5302985 0.1042358), wk = 0.0027933 k( 58) = ( 0.0000000 0.5302985 0.1250829), wk = 0.0027933 k( 59) = ( 0.0000000 0.5302985 0.1459300), wk = 0.0027933 k( 60) = ( 0.0000000 0.5302985 0.1667772), wk = 0.0027933 k( 61) = ( 0.0000000 0.5302985 0.1876244), wk = 0.0027933 k( 62) = ( 0.0000000 0.5302985 0.2084715), wk = 0.0027933 k( 63) = ( 0.0000000 0.5302985 0.2293186), wk = 0.0027933 k( 64) = ( 0.0000000 0.5302985 0.2501658), wk = 0.0027933 k( 65) = ( 0.0000000 0.5302985 0.2710129), wk = 0.0027933 k( 66) = ( 0.0000000 0.5302985 0.2918601), wk = 0.0027933 k( 67) = ( 0.0000000 0.5302985 0.3127073), wk = 0.0027933 k( 68) = ( 0.0000000 0.5302985 0.3335544), wk = 0.0027933 k( 69) = ( 0.0000000 0.5302985 0.3544015), wk = 0.0027933 k( 70) = ( 0.0000000 0.5302985 0.3752487), wk = 0.0027933 k( 71) = ( 0.0000000 0.5302985 0.3960959), wk = 0.0027933 k( 72) = ( 0.0000000 0.5302985 0.4169430), wk = 0.0027933 k( 73) = ( 0.0000000 0.5302985 0.4377901), wk = 0.0027933 k( 74) = ( 0.0000000 0.5302985 0.4586373), wk = 0.0027933 k( 75) = ( 0.0000000 0.5302985 0.4794844), wk = 0.0027933 k( 76) = ( 0.0000000 0.5302985 0.5003316), wk = 0.0027933 k( 77) = ( 0.0000000 0.5302985 0.5211788), wk = 0.0027933 k( 78) = ( 0.0000000 0.5302985 0.5420259), wk = 0.0027933 k( 79) = ( 0.0000000 0.5302985 0.5628730), wk = 0.0027933 k( 80) = ( 0.0000000 0.5302985 0.5837202), wk = 0.0027933 k( 81) = ( 0.0000000 0.5302985 0.6045674), wk = 0.0027933 k( 82) = ( 0.0000000 0.5302985 0.6254145), wk = 0.0027933 k( 83) = ( 0.0000000 0.5302985 0.6462616), wk = 0.0027933 k( 84) = ( 0.0000000 0.5302985 0.6671088), wk = 0.0027933 k( 85) = ( 0.0000000 0.5302985 0.6879559), wk = 0.0027933 k( 86) = ( 0.0000000 0.5302985 0.7088031), wk = 0.0027933 k( 87) = ( 0.0000000 0.5302985 0.7296503), wk = 0.0027933 k( 88) = ( 0.0000000 0.5302985 0.7504974), wk = 0.0027933 k( 89) = ( 0.0000000 0.5302985 0.7713445), wk = 0.0027933 k( 90) = ( 0.0000000 0.5302985 0.7921917), wk = 0.0027933 k( 91) = ( 0.0000000 0.5302985 0.8130388), wk = 0.0027933 k( 92) = ( 0.0000000 0.5302985 0.8338860), wk = 0.0027933 k( 93) = ( 0.0000000 0.5302985 0.8547331), wk = 0.0027933 k( 94) = ( 0.0000000 0.5302985 0.8755803), wk = 0.0027933 k( 95) = ( 0.0000000 0.5302985 0.8755803), wk = 0.0027933 k( 96) = ( 0.0208358 0.5302985 0.8755803), wk = 0.0027933 k( 97) = ( 0.0416716 0.5302985 0.8755803), wk = 0.0027933 k( 98) = ( 0.0625075 0.5302985 0.8755803), wk = 0.0027933 k( 99) = ( 0.0833433 0.5302985 0.8755803), wk = 0.0027933 k( 100) = ( 0.1041791 0.5302985 0.8755803), wk = 0.0027933 k( 101) = ( 0.1250149 0.5302985 0.8755803), wk = 0.0027933 k( 102) = ( 0.1458507 0.5302985 0.8755803), wk = 0.0027933 k( 103) = ( 0.1666865 0.5302985 0.8755803), wk = 0.0027933 k( 104) = ( 0.1875224 0.5302985 0.8755803), wk = 0.0027933 k( 105) = ( 0.2083582 0.5302985 0.8755803), wk = 0.0027933 k( 106) = ( 0.2291940 0.5302985 0.8755803), wk = 0.0027933 k( 107) = ( 0.2500298 0.5302985 0.8755803), wk = 0.0027933 k( 108) = ( 0.2708656 0.5302985 0.8755803), wk = 0.0027933 k( 109) = ( 0.2917014 0.5302985 0.8755803), wk = 0.0027933 k( 110) = ( 0.3125372 0.5302985 0.8755803), wk = 0.0027933 k( 111) = ( 0.3333731 0.5302985 0.8755803), wk = 0.0027933 k( 112) = ( 0.3542089 0.5302985 0.8755803), wk = 0.0027933 k( 113) = ( 0.3750447 0.5302985 0.8755803), wk = 0.0027933 k( 114) = ( 0.3750447 0.5302985 0.8755803), wk = 0.0027933 k( 115) = ( 0.3629465 0.5131921 0.8755803), wk = 0.0027933 k( 116) = ( 0.3508483 0.4960857 0.8755803), wk = 0.0027933 k( 117) = ( 0.3387501 0.4789793 0.8755803), wk = 0.0027933 k( 118) = ( 0.3266518 0.4618729 0.8755803), wk = 0.0027933 k( 119) = ( 0.3145536 0.4447665 0.8755803), wk = 0.0027933 k( 120) = ( 0.3024554 0.4276601 0.8755803), wk = 0.0027933 k( 121) = ( 0.2903572 0.4105537 0.8755803), wk = 0.0027933 k( 122) = ( 0.2782590 0.3934473 0.8755803), wk = 0.0027933 k( 123) = ( 0.2661608 0.3763409 0.8755803), wk = 0.0027933 k( 124) = ( 0.2540625 0.3592345 0.8755803), wk = 0.0027933 k( 125) = ( 0.2419643 0.3421281 0.8755803), wk = 0.0027933 k( 126) = ( 0.2298661 0.3250217 0.8755803), wk = 0.0027933 k( 127) = ( 0.2177679 0.3079153 0.8755803), wk = 0.0027933 k( 128) = ( 0.2056697 0.2908088 0.8755803), wk = 0.0027933 k( 129) = ( 0.1935715 0.2737024 0.8755803), wk = 0.0027933 k( 130) = ( 0.1814732 0.2565960 0.8755803), wk = 0.0027933 k( 131) = ( 0.1693750 0.2394896 0.8755803), wk = 0.0027933 k( 132) = ( 0.1572768 0.2223832 0.8755803), wk = 0.0027933 k( 133) = ( 0.1451786 0.2052768 0.8755803), wk = 0.0027933 k( 134) = ( 0.1330804 0.1881704 0.8755803), wk = 0.0027933 k( 135) = ( 0.1209822 0.1710640 0.8755803), wk = 0.0027933 k( 136) = ( 0.1088839 0.1539576 0.8755803), wk = 0.0027933 k( 137) = ( 0.0967857 0.1368512 0.8755803), wk = 0.0027933 k( 138) = ( 0.0846875 0.1197448 0.8755803), wk = 0.0027933 k( 139) = ( 0.0725893 0.1026384 0.8755803), wk = 0.0027933 k( 140) = ( 0.0604911 0.0855320 0.8755803), wk = 0.0027933 k( 141) = ( 0.0483929 0.0684256 0.8755803), wk = 0.0027933 k( 142) = ( 0.0362946 0.0513192 0.8755803), wk = 0.0027933 k( 143) = ( 0.0241964 0.0342128 0.8755803), wk = 0.0027933 k( 144) = ( 0.0120982 0.0171064 0.8755803), wk = 0.0027933 k( 145) = ( 0.0000000 0.0000000 0.8755803), wk = 0.0027933 k( 146) = ( 0.0000000 0.0000000 0.8755803), wk = 0.0027933 k( 147) = ( 0.0000000 0.0000000 0.8547331), wk = 0.0027933 k( 148) = ( 0.0000000 0.0000000 0.8338860), wk = 0.0027933 k( 149) = ( 0.0000000 0.0000000 0.8130388), wk = 0.0027933 k( 150) = ( 0.0000000 0.0000000 0.7921917), wk = 0.0027933 k( 151) = ( 0.0000000 0.0000000 0.7713445), wk = 0.0027933 k( 152) = ( 0.0000000 0.0000000 0.7504974), wk = 0.0027933 k( 153) = ( 0.0000000 0.0000000 0.7296503), wk = 0.0027933 k( 154) = ( 0.0000000 0.0000000 0.7088031), wk = 0.0027933 k( 155) = ( 0.0000000 0.0000000 0.6879559), wk = 0.0027933 k( 156) = ( 0.0000000 0.0000000 0.6671088), wk = 0.0027933 k( 157) = ( 0.0000000 0.0000000 0.6462616), wk = 0.0027933 k( 158) = ( 0.0000000 0.0000000 0.6254145), wk = 0.0027933 k( 159) = ( 0.0000000 0.0000000 0.6045674), wk = 0.0027933 k( 160) = ( 0.0000000 0.0000000 0.5837202), wk = 0.0027933 k( 161) = ( 0.0000000 0.0000000 0.5628730), wk = 0.0027933 k( 162) = ( 0.0000000 0.0000000 0.5420259), wk = 0.0027933 k( 163) = ( 0.0000000 0.0000000 0.5211788), wk = 0.0027933 k( 164) = ( 0.0000000 0.0000000 0.5003316), wk = 0.0027933 k( 165) = ( 0.0000000 0.0000000 0.4794844), wk = 0.0027933 k( 166) = ( 0.0000000 0.0000000 0.4586373), wk = 0.0027933 k( 167) = ( 0.0000000 0.0000000 0.4377901), wk = 0.0027933 k( 168) = ( 0.0000000 0.0000000 0.4169430), wk = 0.0027933 k( 169) = ( 0.0000000 0.0000000 0.3960959), wk = 0.0027933 k( 170) = ( 0.0000000 0.0000000 0.3752487), wk = 0.0027933 k( 171) = ( 0.0000000 0.0000000 0.3544015), wk = 0.0027933 k( 172) = ( 0.0000000 0.0000000 0.3335544), wk = 0.0027933 k( 173) = ( 0.0000000 0.0000000 0.3127073), wk = 0.0027933 k( 174) = ( 0.0000000 0.0000000 0.2918601), wk = 0.0027933 k( 175) = ( 0.0000000 0.0000000 0.2710129), wk = 0.0027933 k( 176) = ( 0.0000000 0.0000000 0.2501658), wk = 0.0027933 k( 177) = ( 0.0000000 0.0000000 0.2293186), wk = 0.0027933 k( 178) = ( 0.0000000 0.0000000 0.2084715), wk = 0.0027933 k( 179) = ( 0.0000000 0.0000000 0.1876244), wk = 0.0027933 k( 180) = ( 0.0000000 0.0000000 0.1667772), wk = 0.0027933 k( 181) = ( 0.0000000 0.0000000 0.1459300), wk = 0.0027933 k( 182) = ( 0.0000000 0.0000000 0.1250829), wk = 0.0027933 k( 183) = ( 0.0000000 0.0000000 0.1042358), wk = 0.0027933 k( 184) = ( 0.0000000 0.0000000 0.0833886), wk = 0.0027933 k( 185) = ( 0.0000000 0.0000000 0.0625415), wk = 0.0027933 k( 186) = ( 0.0000000 0.0000000 0.0416943), wk = 0.0027933 k( 187) = ( 0.0000000 0.0000000 0.0208471), wk = 0.0027933 k( 188) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 189) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 190) = ( -0.0172414 0.0121937 -0.0000000), wk = 0.0027933 k( 191) = ( -0.0344828 0.0243874 -0.0000000), wk = 0.0027933 k( 192) = ( -0.0517241 0.0365810 -0.0000000), wk = 0.0027933 k( 193) = ( -0.0689655 0.0487747 -0.0000000), wk = 0.0027933 k( 194) = ( -0.0862069 0.0609684 -0.0000000), wk = 0.0027933 k( 195) = ( -0.1034483 0.0731621 -0.0000000), wk = 0.0027933 k( 196) = ( -0.1206897 0.0853557 -0.0000000), wk = 0.0027933 k( 197) = ( -0.1379310 0.0975494 -0.0000000), wk = 0.0027933 k( 198) = ( -0.1551724 0.1097431 -0.0000000), wk = 0.0027933 k( 199) = ( -0.1724138 0.1219368 -0.0000000), wk = 0.0027933 k( 200) = ( -0.1896552 0.1341304 -0.0000000), wk = 0.0027933 k( 201) = ( -0.2068966 0.1463241 -0.0000000), wk = 0.0027933 k( 202) = ( -0.2241379 0.1585178 -0.0000000), wk = 0.0027933 k( 203) = ( -0.2413793 0.1707115 -0.0000000), wk = 0.0027933 k( 204) = ( -0.2586207 0.1829051 -0.0000000), wk = 0.0027933 k( 205) = ( -0.2758621 0.1950988 -0.0000000), wk = 0.0027933 k( 206) = ( -0.2931034 0.2072925 -0.0000000), wk = 0.0027933 k( 207) = ( -0.3103448 0.2194862 -0.0000000), wk = 0.0027933 k( 208) = ( -0.3275862 0.2316798 -0.0000000), wk = 0.0027933 k( 209) = ( -0.3448276 0.2438735 -0.0000000), wk = 0.0027933 k( 210) = ( -0.3620690 0.2560672 -0.0000000), wk = 0.0027933 k( 211) = ( -0.3793103 0.2682609 -0.0000000), wk = 0.0027933 k( 212) = ( -0.3965517 0.2804545 -0.0000000), wk = 0.0027933 k( 213) = ( -0.4137931 0.2926482 -0.0000000), wk = 0.0027933 k( 214) = ( -0.4310345 0.3048419 -0.0000000), wk = 0.0027933 k( 215) = ( -0.4482759 0.3170356 -0.0000000), wk = 0.0027933 k( 216) = ( -0.4655172 0.3292292 -0.0000000), wk = 0.0027933 k( 217) = ( -0.4827586 0.3414229 -0.0000000), wk = 0.0027933 k( 218) = ( -0.5000000 0.3536166 -0.0000000), wk = 0.0027933 k( 219) = ( -0.5000000 0.3536166 -0.0000000), wk = 0.0027933 k( 220) = ( -0.4886404 0.3696786 -0.0000000), wk = 0.0027933 k( 221) = ( -0.4772808 0.3857406 -0.0000000), wk = 0.0027933 k( 222) = ( -0.4659213 0.4018026 -0.0000000), wk = 0.0027933 k( 223) = ( -0.4545617 0.4178646 -0.0000000), wk = 0.0027933 k( 224) = ( -0.4432021 0.4339265 -0.0000000), wk = 0.0027933 k( 225) = ( -0.4318426 0.4499885 -0.0000000), wk = 0.0027933 k( 226) = ( -0.4204830 0.4660505 -0.0000000), wk = 0.0027933 k( 227) = ( -0.4091234 0.4821125 -0.0000000), wk = 0.0027933 k( 228) = ( -0.3977638 0.4981745 -0.0000000), wk = 0.0027933 k( 229) = ( -0.3864043 0.5142365 -0.0000000), wk = 0.0027933 k( 230) = ( -0.3750447 0.5302985 -0.0000000), wk = 0.0027933 k( 231) = ( -0.3750447 0.5302985 -0.0000000), wk = 0.0027933 k( 232) = ( -0.3750447 0.5302985 0.0208471), wk = 0.0027933 k( 233) = ( -0.3750447 0.5302985 0.0416943), wk = 0.0027933 k( 234) = ( -0.3750447 0.5302985 0.0625415), wk = 0.0027933 k( 235) = ( -0.3750447 0.5302985 0.0833886), wk = 0.0027933 k( 236) = ( -0.3750447 0.5302985 0.1042358), wk = 0.0027933 k( 237) = ( -0.3750447 0.5302985 0.1250829), wk = 0.0027933 k( 238) = ( -0.3750447 0.5302985 0.1459300), wk = 0.0027933 k( 239) = ( -0.3750447 0.5302985 0.1667772), wk = 0.0027933 k( 240) = ( -0.3750447 0.5302985 0.1876244), wk = 0.0027933 k( 241) = ( -0.3750447 0.5302985 0.2084715), wk = 0.0027933 k( 242) = ( -0.3750447 0.5302985 0.2293186), wk = 0.0027933 k( 243) = ( -0.3750447 0.5302985 0.2501658), wk = 0.0027933 k( 244) = ( -0.3750447 0.5302985 0.2710129), wk = 0.0027933 k( 245) = ( -0.3750447 0.5302985 0.2918601), wk = 0.0027933 k( 246) = ( -0.3750447 0.5302985 0.3127073), wk = 0.0027933 k( 247) = ( -0.3750447 0.5302985 0.3335544), wk = 0.0027933 k( 248) = ( -0.3750447 0.5302985 0.3544015), wk = 0.0027933 k( 249) = ( -0.3750447 0.5302985 0.3752487), wk = 0.0027933 k( 250) = ( -0.3750447 0.5302985 0.3960959), wk = 0.0027933 k( 251) = ( -0.3750447 0.5302985 0.4169430), wk = 0.0027933 k( 252) = ( -0.3750447 0.5302985 0.4377901), wk = 0.0027933 k( 253) = ( -0.3750447 0.5302985 0.4586373), wk = 0.0027933 k( 254) = ( -0.3750447 0.5302985 0.4794844), wk = 0.0027933 k( 255) = ( -0.3750447 0.5302985 0.5003316), wk = 0.0027933 k( 256) = ( -0.3750447 0.5302985 0.5211788), wk = 0.0027933 k( 257) = ( -0.3750447 0.5302985 0.5420259), wk = 0.0027933 k( 258) = ( -0.3750447 0.5302985 0.5628730), wk = 0.0027933 k( 259) = ( -0.3750447 0.5302985 0.5837202), wk = 0.0027933 k( 260) = ( -0.3750447 0.5302985 0.6045674), wk = 0.0027933 k( 261) = ( -0.3750447 0.5302985 0.6254145), wk = 0.0027933 k( 262) = ( -0.3750447 0.5302985 0.6462616), wk = 0.0027933 k( 263) = ( -0.3750447 0.5302985 0.6671088), wk = 0.0027933 k( 264) = ( -0.3750447 0.5302985 0.6879559), wk = 0.0027933 k( 265) = ( -0.3750447 0.5302985 0.7088031), wk = 0.0027933 k( 266) = ( -0.3750447 0.5302985 0.7296503), wk = 0.0027933 k( 267) = ( -0.3750447 0.5302985 0.7504974), wk = 0.0027933 k( 268) = ( -0.3750447 0.5302985 0.7713445), wk = 0.0027933 k( 269) = ( -0.3750447 0.5302985 0.7921917), wk = 0.0027933 k( 270) = ( -0.3750447 0.5302985 0.8130388), wk = 0.0027933 k( 271) = ( -0.3750447 0.5302985 0.8338860), wk = 0.0027933 k( 272) = ( -0.3750447 0.5302985 0.8547331), wk = 0.0027933 k( 273) = ( -0.3750447 0.5302985 0.8755803), wk = 0.0027933 k( 274) = ( -0.3750447 0.5302985 0.8755803), wk = 0.0027933 k( 275) = ( -0.3864043 0.5142365 0.8755803), wk = 0.0027933 k( 276) = ( -0.3977638 0.4981745 0.8755803), wk = 0.0027933 k( 277) = ( -0.4091234 0.4821125 0.8755803), wk = 0.0027933 k( 278) = ( -0.4204830 0.4660505 0.8755803), wk = 0.0027933 k( 279) = ( -0.4318426 0.4499885 0.8755803), wk = 0.0027933 k( 280) = ( -0.4432021 0.4339265 0.8755803), wk = 0.0027933 k( 281) = ( -0.4545617 0.4178646 0.8755803), wk = 0.0027933 k( 282) = ( -0.4659213 0.4018026 0.8755803), wk = 0.0027933 k( 283) = ( -0.4772808 0.3857406 0.8755803), wk = 0.0027933 k( 284) = ( -0.4886404 0.3696786 0.8755803), wk = 0.0027933 k( 285) = ( -0.5000000 0.3536166 0.8755803), wk = 0.0027933 k( 286) = ( -0.5000000 0.3536166 0.8755803), wk = 0.0027933 k( 287) = ( -0.5000000 0.3536166 0.8547331), wk = 0.0027933 k( 288) = ( -0.5000000 0.3536166 0.8338860), wk = 0.0027933 k( 289) = ( -0.5000000 0.3536166 0.8130388), wk = 0.0027933 k( 290) = ( -0.5000000 0.3536166 0.7921917), wk = 0.0027933 k( 291) = ( -0.5000000 0.3536166 0.7713445), wk = 0.0027933 k( 292) = ( -0.5000000 0.3536166 0.7504974), wk = 0.0027933 k( 293) = ( -0.5000000 0.3536166 0.7296503), wk = 0.0027933 k( 294) = ( -0.5000000 0.3536166 0.7088031), wk = 0.0027933 k( 295) = ( -0.5000000 0.3536166 0.6879559), wk = 0.0027933 k( 296) = ( -0.5000000 0.3536166 0.6671088), wk = 0.0027933 k( 297) = ( -0.5000000 0.3536166 0.6462616), wk = 0.0027933 k( 298) = ( -0.5000000 0.3536166 0.6254145), wk = 0.0027933 k( 299) = ( -0.5000000 0.3536166 0.6045674), wk = 0.0027933 k( 300) = ( -0.5000000 0.3536166 0.5837202), wk = 0.0027933 k( 301) = ( -0.5000000 0.3536166 0.5628730), wk = 0.0027933 k( 302) = ( -0.5000000 0.3536166 0.5420259), wk = 0.0027933 k( 303) = ( -0.5000000 0.3536166 0.5211788), wk = 0.0027933 k( 304) = ( -0.5000000 0.3536166 0.5003316), wk = 0.0027933 k( 305) = ( -0.5000000 0.3536166 0.4794844), wk = 0.0027933 k( 306) = ( -0.5000000 0.3536166 0.4586373), wk = 0.0027933 k( 307) = ( -0.5000000 0.3536166 0.4377901), wk = 0.0027933 k( 308) = ( -0.5000000 0.3536166 0.4169430), wk = 0.0027933 k( 309) = ( -0.5000000 0.3536166 0.3960959), wk = 0.0027933 k( 310) = ( -0.5000000 0.3536166 0.3752487), wk = 0.0027933 k( 311) = ( -0.5000000 0.3536166 0.3544015), wk = 0.0027933 k( 312) = ( -0.5000000 0.3536166 0.3335544), wk = 0.0027933 k( 313) = ( -0.5000000 0.3536166 0.3127073), wk = 0.0027933 k( 314) = ( -0.5000000 0.3536166 0.2918601), wk = 0.0027933 k( 315) = ( -0.5000000 0.3536166 0.2710129), wk = 0.0027933 k( 316) = ( -0.5000000 0.3536166 0.2501658), wk = 0.0027933 k( 317) = ( -0.5000000 0.3536166 0.2293186), wk = 0.0027933 k( 318) = ( -0.5000000 0.3536166 0.2084715), wk = 0.0027933 k( 319) = ( -0.5000000 0.3536166 0.1876244), wk = 0.0027933 k( 320) = ( -0.5000000 0.3536166 0.1667772), wk = 0.0027933 k( 321) = ( -0.5000000 0.3536166 0.1459300), wk = 0.0027933 k( 322) = ( -0.5000000 0.3536166 0.1250829), wk = 0.0027933 k( 323) = ( -0.5000000 0.3536166 0.1042358), wk = 0.0027933 k( 324) = ( -0.5000000 0.3536166 0.0833886), wk = 0.0027933 k( 325) = ( -0.5000000 0.3536166 0.0625415), wk = 0.0027933 k( 326) = ( -0.5000000 0.3536166 0.0416943), wk = 0.0027933 k( 327) = ( -0.5000000 0.3536166 0.0208471), wk = 0.0027933 k( 328) = ( -0.5000000 0.3536166 -0.0000000), wk = 0.0027933 k( 329) = ( 0.0000000 0.0000000 0.8755803), wk = 0.0027933 k( 330) = ( -0.0172414 0.0121937 0.8755803), wk = 0.0027933 k( 331) = ( -0.0344828 0.0243874 0.8755803), wk = 0.0027933 k( 332) = ( -0.0517241 0.0365810 0.8755803), wk = 0.0027933 k( 333) = ( -0.0689655 0.0487747 0.8755803), wk = 0.0027933 k( 334) = ( -0.0862069 0.0609684 0.8755803), wk = 0.0027933 k( 335) = ( -0.1034483 0.0731621 0.8755803), wk = 0.0027933 k( 336) = ( -0.1206897 0.0853557 0.8755803), wk = 0.0027933 k( 337) = ( -0.1379310 0.0975494 0.8755803), wk = 0.0027933 k( 338) = ( -0.1551724 0.1097431 0.8755803), wk = 0.0027933 k( 339) = ( -0.1724138 0.1219368 0.8755803), wk = 0.0027933 k( 340) = ( -0.1896552 0.1341304 0.8755803), wk = 0.0027933 k( 341) = ( -0.2068966 0.1463241 0.8755803), wk = 0.0027933 k( 342) = ( -0.2241379 0.1585178 0.8755803), wk = 0.0027933 k( 343) = ( -0.2413793 0.1707115 0.8755803), wk = 0.0027933 k( 344) = ( -0.2586207 0.1829051 0.8755803), wk = 0.0027933 k( 345) = ( -0.2758621 0.1950988 0.8755803), wk = 0.0027933 k( 346) = ( -0.2931034 0.2072925 0.8755803), wk = 0.0027933 k( 347) = ( -0.3103448 0.2194862 0.8755803), wk = 0.0027933 k( 348) = ( -0.3275862 0.2316798 0.8755803), wk = 0.0027933 k( 349) = ( -0.3448276 0.2438735 0.8755803), wk = 0.0027933 k( 350) = ( -0.3620690 0.2560672 0.8755803), wk = 0.0027933 k( 351) = ( -0.3793103 0.2682609 0.8755803), wk = 0.0027933 k( 352) = ( -0.3965517 0.2804545 0.8755803), wk = 0.0027933 k( 353) = ( -0.4137931 0.2926482 0.8755803), wk = 0.0027933 k( 354) = ( -0.4310345 0.3048419 0.8755803), wk = 0.0027933 k( 355) = ( -0.4482759 0.3170356 0.8755803), wk = 0.0027933 k( 356) = ( -0.4655172 0.3292292 0.8755803), wk = 0.0027933 k( 357) = ( -0.4827586 0.3414229 0.8755803), wk = 0.0027933 k( 358) = ( -0.5000000 0.3536166 0.8755803), wk = 0.0027933 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 2) = ( 0.0120982 0.0120982 -0.0000000), wk = 0.0027933 k( 3) = ( 0.0241964 0.0241964 -0.0000000), wk = 0.0027933 k( 4) = ( 0.0362946 0.0362946 -0.0000000), wk = 0.0027933 k( 5) = ( 0.0483929 0.0483929 -0.0000000), wk = 0.0027933 k( 6) = ( 0.0604911 0.0604911 -0.0000000), wk = 0.0027933 k( 7) = ( 0.0725893 0.0725893 -0.0000000), wk = 0.0027933 k( 8) = ( 0.0846875 0.0846875 -0.0000000), wk = 0.0027933 k( 9) = ( 0.0967857 0.0967857 -0.0000000), wk = 0.0027933 k( 10) = ( 0.1088839 0.1088839 -0.0000000), wk = 0.0027933 k( 11) = ( 0.1209822 0.1209822 -0.0000000), wk = 0.0027933 k( 12) = ( 0.1330804 0.1330804 0.0000000), wk = 0.0027933 k( 13) = ( 0.1451786 0.1451786 -0.0000000), wk = 0.0027933 k( 14) = ( 0.1572768 0.1572768 0.0000000), wk = 0.0027933 k( 15) = ( 0.1693750 0.1693750 -0.0000000), wk = 0.0027933 k( 16) = ( 0.1814732 0.1814732 0.0000000), wk = 0.0027933 k( 17) = ( 0.1935715 0.1935715 -0.0000000), wk = 0.0027933 k( 18) = ( 0.2056697 0.2056697 -0.0000000), wk = 0.0027933 k( 19) = ( 0.2177679 0.2177679 -0.0000000), wk = 0.0027933 k( 20) = ( 0.2298661 0.2298661 -0.0000000), wk = 0.0027933 k( 21) = ( 0.2419643 0.2419643 -0.0000000), wk = 0.0027933 k( 22) = ( 0.2540625 0.2540625 -0.0000000), wk = 0.0027933 k( 23) = ( 0.2661608 0.2661608 0.0000000), wk = 0.0027933 k( 24) = ( 0.2782590 0.2782590 -0.0000000), wk = 0.0027933 k( 25) = ( 0.2903572 0.2903572 0.0000000), wk = 0.0027933 k( 26) = ( 0.3024554 0.3024554 -0.0000000), wk = 0.0027933 k( 27) = ( 0.3145536 0.3145536 0.0000000), wk = 0.0027933 k( 28) = ( 0.3266518 0.3266518 0.0000000), wk = 0.0027933 k( 29) = ( 0.3387501 0.3387501 -0.0000000), wk = 0.0027933 k( 30) = ( 0.3508483 0.3508483 -0.0000000), wk = 0.0027933 k( 31) = ( 0.3629465 0.3629465 0.0000000), wk = 0.0027933 k( 32) = ( 0.3750447 0.3750447 0.0000000), wk = 0.0027933 k( 33) = ( 0.3750447 0.3750447 0.0000000), wk = 0.0027933 k( 34) = ( 0.3542089 0.3819867 -0.0000000), wk = 0.0027933 k( 35) = ( 0.3333731 0.3889286 -0.0000000), wk = 0.0027933 k( 36) = ( 0.3125372 0.3958706 -0.0000000), wk = 0.0027933 k( 37) = ( 0.2917014 0.4028125 -0.0000000), wk = 0.0027933 k( 38) = ( 0.2708656 0.4097545 -0.0000000), wk = 0.0027933 k( 39) = ( 0.2500298 0.4166965 -0.0000000), wk = 0.0027933 k( 40) = ( 0.2291940 0.4236384 -0.0000000), wk = 0.0027933 k( 41) = ( 0.2083582 0.4305804 -0.0000000), wk = 0.0027933 k( 42) = ( 0.1875224 0.4375224 -0.0000000), wk = 0.0027933 k( 43) = ( 0.1666865 0.4444643 0.0000000), wk = 0.0027933 k( 44) = ( 0.1458507 0.4514063 0.0000000), wk = 0.0027933 k( 45) = ( 0.1250149 0.4583482 -0.0000000), wk = 0.0027933 k( 46) = ( 0.1041791 0.4652902 0.0000000), wk = 0.0027933 k( 47) = ( 0.0833433 0.4722322 0.0000000), wk = 0.0027933 k( 48) = ( 0.0625075 0.4791741 0.0000000), wk = 0.0027933 k( 49) = ( 0.0416716 0.4861161 -0.0000000), wk = 0.0027933 k( 50) = ( 0.0208358 0.4930580 0.0000000), wk = 0.0027933 k( 51) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027933 k( 52) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027933 k( 53) = ( 0.0000000 0.5000000 0.0119048), wk = 0.0027933 k( 54) = ( 0.0000000 0.5000000 0.0238095), wk = 0.0027933 k( 55) = ( 0.0000000 0.5000000 0.0357143), wk = 0.0027933 k( 56) = ( 0.0000000 0.5000000 0.0476191), wk = 0.0027933 k( 57) = ( 0.0000000 0.5000000 0.0595238), wk = 0.0027933 k( 58) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0027933 k( 59) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0027933 k( 60) = ( 0.0000000 0.5000000 0.0952381), wk = 0.0027933 k( 61) = ( 0.0000000 0.5000000 0.1071429), wk = 0.0027933 k( 62) = ( 0.0000000 0.5000000 0.1190476), wk = 0.0027933 k( 63) = ( 0.0000000 0.5000000 0.1309524), wk = 0.0027933 k( 64) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0027933 k( 65) = ( 0.0000000 0.5000000 0.1547619), wk = 0.0027933 k( 66) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0027933 k( 67) = ( 0.0000000 0.5000000 0.1785714), wk = 0.0027933 k( 68) = ( 0.0000000 0.5000000 0.1904762), wk = 0.0027933 k( 69) = ( 0.0000000 0.5000000 0.2023810), wk = 0.0027933 k( 70) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0027933 k( 71) = ( 0.0000000 0.5000000 0.2261905), wk = 0.0027933 k( 72) = ( 0.0000000 0.5000000 0.2380952), wk = 0.0027933 k( 73) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0027933 k( 74) = ( 0.0000000 0.5000000 0.2619048), wk = 0.0027933 k( 75) = ( 0.0000000 0.5000000 0.2738095), wk = 0.0027933 k( 76) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0027933 k( 77) = ( 0.0000000 0.5000000 0.2976190), wk = 0.0027933 k( 78) = ( 0.0000000 0.5000000 0.3095238), wk = 0.0027933 k( 79) = ( 0.0000000 0.5000000 0.3214286), wk = 0.0027933 k( 80) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0027933 k( 81) = ( 0.0000000 0.5000000 0.3452381), wk = 0.0027933 k( 82) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0027933 k( 83) = ( 0.0000000 0.5000000 0.3690476), wk = 0.0027933 k( 84) = ( 0.0000000 0.5000000 0.3809524), wk = 0.0027933 k( 85) = ( 0.0000000 0.5000000 0.3928571), wk = 0.0027933 k( 86) = ( 0.0000000 0.5000000 0.4047619), wk = 0.0027933 k( 87) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0027933 k( 88) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0027933 k( 89) = ( 0.0000000 0.5000000 0.4404762), wk = 0.0027933 k( 90) = ( 0.0000000 0.5000000 0.4523810), wk = 0.0027933 k( 91) = ( 0.0000000 0.5000000 0.4642857), wk = 0.0027933 k( 92) = ( 0.0000000 0.5000000 0.4761905), wk = 0.0027933 k( 93) = ( 0.0000000 0.5000000 0.4880952), wk = 0.0027933 k( 94) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027933 k( 95) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027933 k( 96) = ( 0.0208358 0.4930580 0.5000000), wk = 0.0027933 k( 97) = ( 0.0416716 0.4861161 0.5000000), wk = 0.0027933 k( 98) = ( 0.0625075 0.4791741 0.5000000), wk = 0.0027933 k( 99) = ( 0.0833433 0.4722322 0.5000000), wk = 0.0027933 k( 100) = ( 0.1041791 0.4652902 0.5000000), wk = 0.0027933 k( 101) = ( 0.1250149 0.4583482 0.5000000), wk = 0.0027933 k( 102) = ( 0.1458507 0.4514063 0.5000000), wk = 0.0027933 k( 103) = ( 0.1666865 0.4444643 0.5000000), wk = 0.0027933 k( 104) = ( 0.1875224 0.4375224 0.5000000), wk = 0.0027933 k( 105) = ( 0.2083582 0.4305804 0.5000000), wk = 0.0027933 k( 106) = ( 0.2291940 0.4236384 0.5000000), wk = 0.0027933 k( 107) = ( 0.2500298 0.4166965 0.5000000), wk = 0.0027933 k( 108) = ( 0.2708656 0.4097545 0.5000000), wk = 0.0027933 k( 109) = ( 0.2917014 0.4028125 0.5000000), wk = 0.0027933 k( 110) = ( 0.3125372 0.3958706 0.5000000), wk = 0.0027933 k( 111) = ( 0.3333731 0.3889286 0.5000000), wk = 0.0027933 k( 112) = ( 0.3542089 0.3819867 0.5000000), wk = 0.0027933 k( 113) = ( 0.3750447 0.3750447 0.5000000), wk = 0.0027933 k( 114) = ( 0.3750447 0.3750447 0.5000000), wk = 0.0027933 k( 115) = ( 0.3629465 0.3629465 0.5000000), wk = 0.0027933 k( 116) = ( 0.3508483 0.3508483 0.5000000), wk = 0.0027933 k( 117) = ( 0.3387501 0.3387501 0.5000000), wk = 0.0027933 k( 118) = ( 0.3266518 0.3266518 0.5000000), wk = 0.0027933 k( 119) = ( 0.3145536 0.3145536 0.5000000), wk = 0.0027933 k( 120) = ( 0.3024554 0.3024554 0.5000000), wk = 0.0027933 k( 121) = ( 0.2903572 0.2903572 0.5000000), wk = 0.0027933 k( 122) = ( 0.2782590 0.2782590 0.5000000), wk = 0.0027933 k( 123) = ( 0.2661608 0.2661608 0.5000000), wk = 0.0027933 k( 124) = ( 0.2540625 0.2540625 0.5000000), wk = 0.0027933 k( 125) = ( 0.2419643 0.2419643 0.5000000), wk = 0.0027933 k( 126) = ( 0.2298661 0.2298661 0.5000000), wk = 0.0027933 k( 127) = ( 0.2177679 0.2177679 0.5000000), wk = 0.0027933 k( 128) = ( 0.2056697 0.2056697 0.5000000), wk = 0.0027933 k( 129) = ( 0.1935715 0.1935715 0.5000000), wk = 0.0027933 k( 130) = ( 0.1814732 0.1814732 0.5000000), wk = 0.0027933 k( 131) = ( 0.1693750 0.1693750 0.5000000), wk = 0.0027933 k( 132) = ( 0.1572768 0.1572768 0.5000000), wk = 0.0027933 k( 133) = ( 0.1451786 0.1451786 0.5000000), wk = 0.0027933 k( 134) = ( 0.1330804 0.1330804 0.5000000), wk = 0.0027933 k( 135) = ( 0.1209822 0.1209822 0.5000000), wk = 0.0027933 k( 136) = ( 0.1088839 0.1088839 0.5000000), wk = 0.0027933 k( 137) = ( 0.0967857 0.0967857 0.5000000), wk = 0.0027933 k( 138) = ( 0.0846875 0.0846875 0.5000000), wk = 0.0027933 k( 139) = ( 0.0725893 0.0725893 0.5000000), wk = 0.0027933 k( 140) = ( 0.0604911 0.0604911 0.5000000), wk = 0.0027933 k( 141) = ( 0.0483929 0.0483929 0.5000000), wk = 0.0027933 k( 142) = ( 0.0362946 0.0362946 0.5000000), wk = 0.0027933 k( 143) = ( 0.0241964 0.0241964 0.5000000), wk = 0.0027933 k( 144) = ( 0.0120982 0.0120982 0.5000000), wk = 0.0027933 k( 145) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027933 k( 146) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027933 k( 147) = ( 0.0000000 0.0000000 0.4880952), wk = 0.0027933 k( 148) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0027933 k( 149) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0027933 k( 150) = ( 0.0000000 0.0000000 0.4523810), wk = 0.0027933 k( 151) = ( 0.0000000 0.0000000 0.4404762), wk = 0.0027933 k( 152) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0027933 k( 153) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0027933 k( 154) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0027933 k( 155) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0027933 k( 156) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0027933 k( 157) = ( 0.0000000 0.0000000 0.3690476), wk = 0.0027933 k( 158) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0027933 k( 159) = ( 0.0000000 0.0000000 0.3452381), wk = 0.0027933 k( 160) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0027933 k( 161) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0027933 k( 162) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0027933 k( 163) = ( 0.0000000 0.0000000 0.2976190), wk = 0.0027933 k( 164) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0027933 k( 165) = ( 0.0000000 0.0000000 0.2738095), wk = 0.0027933 k( 166) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0027933 k( 167) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0027933 k( 168) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0027933 k( 169) = ( 0.0000000 0.0000000 0.2261905), wk = 0.0027933 k( 170) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0027933 k( 171) = ( 0.0000000 0.0000000 0.2023810), wk = 0.0027933 k( 172) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0027933 k( 173) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0027933 k( 174) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0027933 k( 175) = ( 0.0000000 0.0000000 0.1547619), wk = 0.0027933 k( 176) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0027933 k( 177) = ( 0.0000000 0.0000000 0.1309524), wk = 0.0027933 k( 178) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0027933 k( 179) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0027933 k( 180) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0027933 k( 181) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0027933 k( 182) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0027933 k( 183) = ( 0.0000000 0.0000000 0.0595238), wk = 0.0027933 k( 184) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0027933 k( 185) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0027933 k( 186) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0027933 k( 187) = ( 0.0000000 0.0000000 0.0119048), wk = 0.0027933 k( 188) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 189) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 190) = ( -0.0172414 0.0172414 0.0000000), wk = 0.0027933 k( 191) = ( -0.0344828 0.0344828 0.0000000), wk = 0.0027933 k( 192) = ( -0.0517241 0.0517241 0.0000000), wk = 0.0027933 k( 193) = ( -0.0689655 0.0689655 0.0000000), wk = 0.0027933 k( 194) = ( -0.0862069 0.0862069 0.0000000), wk = 0.0027933 k( 195) = ( -0.1034483 0.1034483 0.0000000), wk = 0.0027933 k( 196) = ( -0.1206897 0.1206897 0.0000000), wk = 0.0027933 k( 197) = ( -0.1379310 0.1379310 0.0000000), wk = 0.0027933 k( 198) = ( -0.1551724 0.1551724 0.0000000), wk = 0.0027933 k( 199) = ( -0.1724138 0.1724138 0.0000000), wk = 0.0027933 k( 200) = ( -0.1896552 0.1896552 0.0000000), wk = 0.0027933 k( 201) = ( -0.2068966 0.2068966 0.0000000), wk = 0.0027933 k( 202) = ( -0.2241379 0.2241379 0.0000000), wk = 0.0027933 k( 203) = ( -0.2413793 0.2413793 0.0000000), wk = 0.0027933 k( 204) = ( -0.2586207 0.2586207 0.0000000), wk = 0.0027933 k( 205) = ( -0.2758621 0.2758621 0.0000000), wk = 0.0027933 k( 206) = ( -0.2931034 0.2931035 0.0000000), wk = 0.0027933 k( 207) = ( -0.3103448 0.3103448 0.0000000), wk = 0.0027933 k( 208) = ( -0.3275862 0.3275862 0.0000000), wk = 0.0027933 k( 209) = ( -0.3448276 0.3448276 0.0000000), wk = 0.0027933 k( 210) = ( -0.3620690 0.3620690 0.0000000), wk = 0.0027933 k( 211) = ( -0.3793103 0.3793103 0.0000000), wk = 0.0027933 k( 212) = ( -0.3965517 0.3965517 0.0000000), wk = 0.0027933 k( 213) = ( -0.4137931 0.4137931 0.0000000), wk = 0.0027933 k( 214) = ( -0.4310345 0.4310345 0.0000000), wk = 0.0027933 k( 215) = ( -0.4482759 0.4482759 0.0000000), wk = 0.0027933 k( 216) = ( -0.4655172 0.4655172 0.0000000), wk = 0.0027933 k( 217) = ( -0.4827586 0.4827586 0.0000000), wk = 0.0027933 k( 218) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0027933 k( 219) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0027933 k( 220) = ( -0.4886404 0.5113596 0.0000000), wk = 0.0027933 k( 221) = ( -0.4772808 0.5227192 0.0000000), wk = 0.0027933 k( 222) = ( -0.4659213 0.5340787 0.0000000), wk = 0.0027933 k( 223) = ( -0.4545617 0.5454383 0.0000000), wk = 0.0027933 k( 224) = ( -0.4432021 0.5567979 0.0000000), wk = 0.0027933 k( 225) = ( -0.4318426 0.5681574 0.0000000), wk = 0.0027933 k( 226) = ( -0.4204830 0.5795170 0.0000000), wk = 0.0027933 k( 227) = ( -0.4091234 0.5908766 0.0000000), wk = 0.0027933 k( 228) = ( -0.3977638 0.6022362 0.0000000), wk = 0.0027933 k( 229) = ( -0.3864043 0.6135957 0.0000000), wk = 0.0027933 k( 230) = ( -0.3750447 0.6249553 0.0000000), wk = 0.0027933 k( 231) = ( -0.3750447 0.6249553 0.0000000), wk = 0.0027933 k( 232) = ( -0.3750447 0.6249553 0.0119048), wk = 0.0027933 k( 233) = ( -0.3750447 0.6249553 0.0238095), wk = 0.0027933 k( 234) = ( -0.3750447 0.6249553 0.0357143), wk = 0.0027933 k( 235) = ( -0.3750447 0.6249553 0.0476191), wk = 0.0027933 k( 236) = ( -0.3750447 0.6249553 0.0595238), wk = 0.0027933 k( 237) = ( -0.3750447 0.6249553 0.0714286), wk = 0.0027933 k( 238) = ( -0.3750447 0.6249553 0.0833333), wk = 0.0027933 k( 239) = ( -0.3750447 0.6249553 0.0952381), wk = 0.0027933 k( 240) = ( -0.3750447 0.6249553 0.1071429), wk = 0.0027933 k( 241) = ( -0.3750447 0.6249553 0.1190476), wk = 0.0027933 k( 242) = ( -0.3750447 0.6249553 0.1309524), wk = 0.0027933 k( 243) = ( -0.3750447 0.6249553 0.1428571), wk = 0.0027933 k( 244) = ( -0.3750447 0.6249553 0.1547619), wk = 0.0027933 k( 245) = ( -0.3750447 0.6249553 0.1666667), wk = 0.0027933 k( 246) = ( -0.3750447 0.6249553 0.1785714), wk = 0.0027933 k( 247) = ( -0.3750447 0.6249553 0.1904762), wk = 0.0027933 k( 248) = ( -0.3750447 0.6249553 0.2023810), wk = 0.0027933 k( 249) = ( -0.3750447 0.6249553 0.2142857), wk = 0.0027933 k( 250) = ( -0.3750447 0.6249553 0.2261905), wk = 0.0027933 k( 251) = ( -0.3750447 0.6249553 0.2380952), wk = 0.0027933 k( 252) = ( -0.3750447 0.6249553 0.2500000), wk = 0.0027933 k( 253) = ( -0.3750447 0.6249553 0.2619048), wk = 0.0027933 k( 254) = ( -0.3750447 0.6249553 0.2738095), wk = 0.0027933 k( 255) = ( -0.3750447 0.6249553 0.2857143), wk = 0.0027933 k( 256) = ( -0.3750447 0.6249553 0.2976191), wk = 0.0027933 k( 257) = ( -0.3750447 0.6249553 0.3095238), wk = 0.0027933 k( 258) = ( -0.3750447 0.6249553 0.3214286), wk = 0.0027933 k( 259) = ( -0.3750447 0.6249553 0.3333333), wk = 0.0027933 k( 260) = ( -0.3750447 0.6249553 0.3452381), wk = 0.0027933 k( 261) = ( -0.3750447 0.6249553 0.3571429), wk = 0.0027933 k( 262) = ( -0.3750447 0.6249553 0.3690476), wk = 0.0027933 k( 263) = ( -0.3750447 0.6249553 0.3809524), wk = 0.0027933 k( 264) = ( -0.3750447 0.6249553 0.3928571), wk = 0.0027933 k( 265) = ( -0.3750447 0.6249553 0.4047619), wk = 0.0027933 k( 266) = ( -0.3750447 0.6249553 0.4166667), wk = 0.0027933 k( 267) = ( -0.3750447 0.6249553 0.4285714), wk = 0.0027933 k( 268) = ( -0.3750447 0.6249553 0.4404762), wk = 0.0027933 k( 269) = ( -0.3750447 0.6249553 0.4523810), wk = 0.0027933 k( 270) = ( -0.3750447 0.6249553 0.4642857), wk = 0.0027933 k( 271) = ( -0.3750447 0.6249553 0.4761905), wk = 0.0027933 k( 272) = ( -0.3750447 0.6249553 0.4880952), wk = 0.0027933 k( 273) = ( -0.3750447 0.6249553 0.5000000), wk = 0.0027933 k( 274) = ( -0.3750447 0.6249553 0.5000000), wk = 0.0027933 k( 275) = ( -0.3864043 0.6135957 0.5000000), wk = 0.0027933 k( 276) = ( -0.3977638 0.6022362 0.5000000), wk = 0.0027933 k( 277) = ( -0.4091234 0.5908766 0.5000000), wk = 0.0027933 k( 278) = ( -0.4204830 0.5795170 0.5000000), wk = 0.0027933 k( 279) = ( -0.4318426 0.5681574 0.5000000), wk = 0.0027933 k( 280) = ( -0.4432021 0.5567979 0.5000000), wk = 0.0027933 k( 281) = ( -0.4545617 0.5454383 0.5000000), wk = 0.0027933 k( 282) = ( -0.4659213 0.5340787 0.5000000), wk = 0.0027933 k( 283) = ( -0.4772808 0.5227192 0.5000000), wk = 0.0027933 k( 284) = ( -0.4886404 0.5113596 0.5000000), wk = 0.0027933 k( 285) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027933 k( 286) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027933 k( 287) = ( -0.5000000 0.5000000 0.4880952), wk = 0.0027933 k( 288) = ( -0.5000000 0.5000000 0.4761905), wk = 0.0027933 k( 289) = ( -0.5000000 0.5000000 0.4642857), wk = 0.0027933 k( 290) = ( -0.5000000 0.5000000 0.4523810), wk = 0.0027933 k( 291) = ( -0.5000000 0.5000000 0.4404762), wk = 0.0027933 k( 292) = ( -0.5000000 0.5000000 0.4285714), wk = 0.0027933 k( 293) = ( -0.5000000 0.5000000 0.4166667), wk = 0.0027933 k( 294) = ( -0.5000000 0.5000000 0.4047619), wk = 0.0027933 k( 295) = ( -0.5000000 0.5000000 0.3928571), wk = 0.0027933 k( 296) = ( -0.5000000 0.5000000 0.3809524), wk = 0.0027933 k( 297) = ( -0.5000000 0.5000000 0.3690476), wk = 0.0027933 k( 298) = ( -0.5000000 0.5000000 0.3571429), wk = 0.0027933 k( 299) = ( -0.5000000 0.5000000 0.3452381), wk = 0.0027933 k( 300) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0027933 k( 301) = ( -0.5000000 0.5000000 0.3214286), wk = 0.0027933 k( 302) = ( -0.5000000 0.5000000 0.3095238), wk = 0.0027933 k( 303) = ( -0.5000000 0.5000000 0.2976190), wk = 0.0027933 k( 304) = ( -0.5000000 0.5000000 0.2857143), wk = 0.0027933 k( 305) = ( -0.5000000 0.5000000 0.2738095), wk = 0.0027933 k( 306) = ( -0.5000000 0.5000000 0.2619048), wk = 0.0027933 k( 307) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0027933 k( 308) = ( -0.5000000 0.5000000 0.2380952), wk = 0.0027933 k( 309) = ( -0.5000000 0.5000000 0.2261905), wk = 0.0027933 k( 310) = ( -0.5000000 0.5000000 0.2142857), wk = 0.0027933 k( 311) = ( -0.5000000 0.5000000 0.2023810), wk = 0.0027933 k( 312) = ( -0.5000000 0.5000000 0.1904762), wk = 0.0027933 k( 313) = ( -0.5000000 0.5000000 0.1785714), wk = 0.0027933 k( 314) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0027933 k( 315) = ( -0.5000000 0.5000000 0.1547619), wk = 0.0027933 k( 316) = ( -0.5000000 0.5000000 0.1428571), wk = 0.0027933 k( 317) = ( -0.5000000 0.5000000 0.1309524), wk = 0.0027933 k( 318) = ( -0.5000000 0.5000000 0.1190476), wk = 0.0027933 k( 319) = ( -0.5000000 0.5000000 0.1071429), wk = 0.0027933 k( 320) = ( -0.5000000 0.5000000 0.0952381), wk = 0.0027933 k( 321) = ( -0.5000000 0.5000000 0.0833333), wk = 0.0027933 k( 322) = ( -0.5000000 0.5000000 0.0714286), wk = 0.0027933 k( 323) = ( -0.5000000 0.5000000 0.0595238), wk = 0.0027933 k( 324) = ( -0.5000000 0.5000000 0.0476191), wk = 0.0027933 k( 325) = ( -0.5000000 0.5000000 0.0357143), wk = 0.0027933 k( 326) = ( -0.5000000 0.5000000 0.0238095), wk = 0.0027933 k( 327) = ( -0.5000000 0.5000000 0.0119048), wk = 0.0027933 k( 328) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0027933 k( 329) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027933 k( 330) = ( -0.0172414 0.0172414 0.5000000), wk = 0.0027933 k( 331) = ( -0.0344828 0.0344828 0.5000000), wk = 0.0027933 k( 332) = ( -0.0517241 0.0517241 0.5000000), wk = 0.0027933 k( 333) = ( -0.0689655 0.0689655 0.5000000), wk = 0.0027933 k( 334) = ( -0.0862069 0.0862069 0.5000000), wk = 0.0027933 k( 335) = ( -0.1034483 0.1034483 0.5000000), wk = 0.0027933 k( 336) = ( -0.1206897 0.1206897 0.5000000), wk = 0.0027933 k( 337) = ( -0.1379310 0.1379310 0.5000000), wk = 0.0027933 k( 338) = ( -0.1551724 0.1551724 0.5000000), wk = 0.0027933 k( 339) = ( -0.1724138 0.1724138 0.5000000), wk = 0.0027933 k( 340) = ( -0.1896552 0.1896552 0.5000000), wk = 0.0027933 k( 341) = ( -0.2068966 0.2068966 0.5000000), wk = 0.0027933 k( 342) = ( -0.2241379 0.2241379 0.5000000), wk = 0.0027933 k( 343) = ( -0.2413793 0.2413793 0.5000000), wk = 0.0027933 k( 344) = ( -0.2586207 0.2586207 0.5000000), wk = 0.0027933 k( 345) = ( -0.2758621 0.2758621 0.5000000), wk = 0.0027933 k( 346) = ( -0.2931034 0.2931035 0.5000000), wk = 0.0027933 k( 347) = ( -0.3103448 0.3103448 0.5000000), wk = 0.0027933 k( 348) = ( -0.3275862 0.3275862 0.5000000), wk = 0.0027933 k( 349) = ( -0.3448276 0.3448276 0.5000000), wk = 0.0027933 k( 350) = ( -0.3620690 0.3620690 0.5000000), wk = 0.0027933 k( 351) = ( -0.3793103 0.3793103 0.5000000), wk = 0.0027933 k( 352) = ( -0.3965517 0.3965517 0.5000000), wk = 0.0027933 k( 353) = ( -0.4137931 0.4137931 0.5000000), wk = 0.0027933 k( 354) = ( -0.4310345 0.4310345 0.5000000), wk = 0.0027933 k( 355) = ( -0.4482759 0.4482759 0.5000000), wk = 0.0027933 k( 356) = ( -0.4655172 0.4655172 0.5000000), wk = 0.0027933 k( 357) = ( -0.4827586 0.4827586 0.5000000), wk = 0.0027933 k( 358) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0027933 Dense grid: 153955 G-vectors FFT dimensions: ( 81, 81, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.82 Mb ( 1080, 50) NL pseudopotentials 0.97 Mb ( 540, 118) Each V/rho on FFT grid 0.20 Mb ( 13122) Each G-vector array 0.03 Mb ( 4277) G-vector shells 0.02 Mb ( 2099) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 3.30 Mb ( 1080, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.18 Mb ( 118, 2, 50) The potential is recalculated from file : ./Li2FeBr4.save/charge-density.dat Starting wfc are 70 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.7 secs Computing kpt #: 2 total cpu time spent up to now is 5.0 secs Computing kpt #: 3 total cpu time spent up to now is 6.3 secs Computing kpt #: 4 total cpu time spent up to now is 7.6 secs Computing kpt #: 5 total cpu time spent up to now is 9.0 secs Computing kpt #: 6 total cpu time spent up to now is 10.3 secs Computing kpt #: 7 total cpu time spent up to now is 11.6 secs Computing kpt #: 8 total cpu time spent up to now is 13.0 secs Computing kpt #: 9 total cpu time spent up to now is 14.3 secs Computing kpt #: 10 total cpu time spent up to now is 15.7 secs Computing kpt #: 11 total cpu time spent up to now is 17.0 secs Computing kpt #: 12 total cpu time spent up to now is 18.4 secs Computing kpt #: 13 total cpu time spent up to now is 19.7 secs Computing kpt #: 14 total cpu time spent up to now is 21.1 secs Computing kpt #: 15 total cpu time spent up to now is 22.4 secs Computing kpt #: 16 total cpu time spent up to now is 23.8 secs Computing kpt #: 17 total cpu time spent up to now is 25.1 secs Computing kpt #: 18 total cpu time spent up to now is 26.4 secs Computing kpt #: 19 total cpu time spent up to now is 27.8 secs Computing kpt #: 20 total cpu time spent up to now is 29.2 secs Computing kpt #: 21 total cpu time spent up to now is 30.6 secs Computing kpt #: 22 total cpu time spent up to now is 31.9 secs Computing kpt #: 23 total cpu time spent up to now is 33.2 secs Computing kpt #: 24 total cpu time spent up to now is 34.6 secs Computing kpt #: 25 total cpu time spent up to now is 35.9 secs Computing kpt #: 26 total cpu time spent up to now is 37.3 secs Computing kpt #: 27 total cpu time spent up to now is 38.6 secs Computing kpt #: 28 total cpu time spent up to now is 39.9 secs Computing kpt #: 29 total cpu time spent up to now is 41.2 secs Computing kpt #: 30 total cpu time spent up to now is 42.6 secs Computing kpt #: 31 total cpu time spent up to now is 44.0 secs Computing kpt #: 32 total cpu time spent up to now is 45.5 secs Computing kpt #: 33 total cpu time spent up to now is 46.9 secs Computing kpt #: 34 total cpu time spent up to now is 48.4 secs Computing kpt #: 35 total cpu time spent up to now is 49.8 secs Computing kpt #: 36 total cpu time spent up to now is 51.2 secs Computing kpt #: 37 total cpu time spent up to now is 52.7 secs Computing kpt #: 38 total cpu time spent up to now is 54.0 secs Computing kpt #: 39 total cpu time spent up to now is 55.4 secs Computing kpt #: 40 total cpu time spent up to now is 56.7 secs Computing kpt #: 41 total cpu time spent up to now is 58.1 secs Computing kpt #: 42 total cpu time spent up to now is 59.5 secs Computing kpt #: 43 total cpu time spent up to now is 60.8 secs Computing kpt #: 44 total cpu time spent up to now is 62.1 secs Computing kpt #: 45 total cpu time spent up to now is 63.3 secs Computing kpt #: 46 total cpu time spent up to now is 64.4 secs Computing kpt #: 47 total cpu time spent up to now is 65.5 secs Computing kpt #: 48 total cpu time spent up to now is 66.7 secs Computing kpt #: 49 total cpu time spent up to now is 67.8 secs Computing kpt #: 50 total cpu time spent up to now is 68.9 secs Computing kpt #: 51 total cpu time spent up to now is 70.0 secs Computing kpt #: 52 total cpu time spent up to now is 71.1 secs Computing kpt #: 53 total cpu time spent up to now is 72.3 secs Computing kpt #: 54 total cpu time spent up to now is 73.4 secs Computing kpt #: 55 total cpu time spent up to now is 74.5 secs Computing kpt #: 56 total cpu time spent up to now is 75.6 secs Computing kpt #: 57 total cpu time spent up to now is 76.7 secs Computing kpt #: 58 total cpu time spent up to now is 77.9 secs Computing kpt #: 59 total cpu time spent up to now is 79.0 secs Computing kpt #: 60 total cpu time spent up to now is 80.1 secs Computing kpt #: 61 total cpu time spent up to now is 81.2 secs Computing kpt #: 62 total cpu time spent up to now is 82.3 secs Computing kpt #: 63 total cpu time spent up to now is 83.4 secs Computing kpt #: 64 total cpu time spent up to now is 84.6 secs Computing kpt #: 65 total cpu time spent up to now is 85.7 secs Computing kpt #: 66 total cpu time spent up to now is 86.8 secs Computing kpt #: 67 total cpu time spent up to now is 87.9 secs Computing kpt #: 68 total cpu time spent up to now is 89.3 secs Computing kpt #: 69 total cpu time spent up to now is 90.6 secs Computing kpt #: 70 total cpu time spent up to now is 91.9 secs Computing kpt #: 71 total cpu time spent up to now is 93.3 secs Computing kpt #: 72 total cpu time spent up to now is 94.6 secs Computing kpt #: 73 total cpu time spent up to now is 96.0 secs Computing kpt #: 74 total cpu time spent up to now is 97.4 secs Computing kpt #: 75 total cpu time spent up to now is 98.8 secs Computing kpt #: 76 total cpu time spent up to now is 100.3 secs Computing kpt #: 77 total cpu time spent up to now is 101.7 secs Computing kpt #: 78 total cpu time spent up to now is 103.2 secs Computing kpt #: 79 total cpu time spent up to now is 104.6 secs Computing kpt #: 80 total cpu time spent up to now is 106.0 secs Computing kpt #: 81 total cpu time spent up to now is 107.4 secs Computing kpt #: 82 total cpu time spent up to now is 108.8 secs Computing kpt #: 83 total cpu time spent up to now is 110.1 secs Computing kpt #: 84 total cpu time spent up to now is 111.5 secs Computing kpt #: 85 total cpu time spent up to now is 112.9 secs Computing kpt #: 86 total cpu time spent up to now is 114.2 secs Computing kpt #: 87 total cpu time spent up to now is 115.5 secs Computing kpt #: 88 total cpu time spent up to now is 116.9 secs Computing kpt #: 89 total cpu time spent up to now is 118.2 secs Computing kpt #: 90 total cpu time spent up to now is 119.5 secs Computing kpt #: 91 total cpu time spent up to now is 120.9 secs Computing kpt #: 92 total cpu time spent up to now is 122.3 secs Computing kpt #: 93 total cpu time spent up to now is 123.7 secs Computing kpt #: 94 total cpu time spent up to now is 125.4 secs Computing kpt #: 95 total cpu time spent up to now is 126.8 secs Computing kpt #: 96 total cpu time spent up to now is 128.1 secs Computing kpt #: 97 total cpu time spent up to now is 129.5 secs Computing kpt #: 98 total cpu time spent up to now is 130.8 secs Computing kpt #: 99 total cpu time spent up to now is 132.2 secs Computing kpt #: 100 total cpu time spent up to now is 133.5 secs Computing kpt #: 101 total cpu time spent up to now is 134.8 secs Computing kpt #: 102 total cpu time spent up to now is 136.2 secs Computing kpt #: 103 total cpu time spent up to now is 137.7 secs Computing kpt #: 104 total cpu time spent up to now is 139.2 secs Computing kpt #: 105 total cpu time spent up to now is 140.7 secs Computing kpt #: 106 total cpu time spent up to now is 142.1 secs Computing kpt #: 107 total cpu time spent up 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total cpu time spent up to now is 218.3 secs Computing kpt #: 169 total cpu time spent up to now is 219.4 secs Computing kpt #: 170 total cpu time spent up to now is 220.5 secs Computing kpt #: 171 total cpu time spent up to now is 221.6 secs Computing kpt #: 172 total cpu time spent up to now is 222.9 secs Computing kpt #: 173 total cpu time spent up to now is 224.2 secs Computing kpt #: 174 total cpu time spent up to now is 225.5 secs Computing kpt #: 175 total cpu time spent up to now is 226.6 secs Computing kpt #: 176 total cpu time spent up to now is 227.9 secs Computing kpt #: 177 total cpu time spent up to now is 229.3 secs Computing kpt #: 178 total cpu time spent up to now is 230.6 secs Computing kpt #: 179 total cpu time spent up to now is 232.0 secs Computing kpt #: 180 total cpu time spent up to now is 233.3 secs Computing kpt #: 181 total cpu time spent up to now is 234.7 secs Computing kpt #: 182 total cpu time spent up to now is 236.0 secs Computing kpt #: 183 total cpu 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is 277.8 secs Computing kpt #: 214 total cpu time spent up to now is 279.2 secs Computing kpt #: 215 total cpu time spent up to now is 280.6 secs Computing kpt #: 216 total cpu time spent up to now is 282.1 secs Computing kpt #: 217 total cpu time spent up to now is 283.5 secs Computing kpt #: 218 total cpu time spent up to now is 284.9 secs Computing kpt #: 219 total cpu time spent up to now is 286.3 secs Computing kpt #: 220 total cpu time spent up to now is 287.7 secs Computing kpt #: 221 total cpu time spent up to now is 289.1 secs Computing kpt #: 222 total cpu time spent up to now is 290.5 secs Computing kpt #: 223 total cpu time spent up to now is 291.9 secs Computing kpt #: 224 total cpu time spent up to now is 293.3 secs Computing kpt #: 225 total cpu time spent up to now is 294.8 secs Computing kpt #: 226 total cpu time spent up to now is 296.2 secs Computing kpt #: 227 total cpu time spent up to now is 297.7 secs Computing kpt #: 228 total cpu time spent up to now is 299.1 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Computing kpt #: 244 total cpu time spent up to now is 322.7 secs Computing kpt #: 245 total cpu time spent up to now is 324.1 secs Computing kpt #: 246 total cpu time spent up to now is 325.4 secs Computing kpt #: 247 total cpu time spent up to now is 326.7 secs Computing kpt #: 248 total cpu time spent up to now is 328.1 secs Computing kpt #: 249 total cpu time spent up to now is 329.4 secs Computing kpt #: 250 total cpu time spent up to now is 330.7 secs Computing kpt #: 251 total cpu time spent up to now is 332.1 secs Computing kpt #: 252 total cpu time spent up to now is 333.2 secs Computing kpt #: 253 total cpu time spent up to now is 334.6 secs Computing kpt #: 254 total cpu time spent up to now is 335.7 secs Computing kpt #: 255 total cpu time spent up to now is 336.8 secs Computing kpt #: 256 total cpu time spent up to now is 338.0 secs Computing kpt #: 257 total cpu time spent up to now is 339.1 secs Computing kpt #: 258 total cpu time spent up to now is 340.3 secs Computing 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total cpu time spent up to now is 361.1 secs Computing kpt #: 275 total cpu time spent up to now is 362.1 secs Computing kpt #: 276 total cpu time spent up to now is 363.2 secs Computing kpt #: 277 total cpu time spent up to now is 364.3 secs Computing kpt #: 278 total cpu time spent up to now is 365.4 secs Computing kpt #: 279 total cpu time spent up to now is 366.4 secs Computing kpt #: 280 total cpu time spent up to now is 367.5 secs Computing kpt #: 281 total cpu time spent up to now is 368.5 secs Computing kpt #: 282 total cpu time spent up to now is 369.6 secs Computing kpt #: 283 total cpu time spent up to now is 370.6 secs Computing kpt #: 284 total cpu time spent up to now is 371.6 secs Computing kpt #: 285 total cpu time spent up to now is 372.7 secs Computing kpt #: 286 total cpu time spent up to now is 373.7 secs Computing kpt #: 287 total cpu time spent up to now is 374.8 secs Computing kpt #: 288 total cpu time spent up to now is 375.8 secs Computing kpt #: 289 total cpu 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is 411.0 secs Computing kpt #: 320 total cpu time spent up to now is 412.4 secs Computing kpt #: 321 total cpu time spent up to now is 413.7 secs Computing kpt #: 322 total cpu time spent up to now is 415.0 secs Computing kpt #: 323 total cpu time spent up to now is 416.4 secs Computing kpt #: 324 total cpu time spent up to now is 417.8 secs Computing kpt #: 325 total cpu time spent up to now is 419.2 secs Computing kpt #: 326 total cpu time spent up to now is 420.6 secs Computing kpt #: 327 total cpu time spent up to now is 423.6 secs Computing kpt #: 328 total cpu time spent up to now is 425.0 secs Computing kpt #: 329 total cpu time spent up to now is 426.0 secs Computing kpt #: 330 total cpu time spent up to now is 427.0 secs Computing kpt #: 331 total cpu time spent up to now is 428.1 secs Computing kpt #: 332 total cpu time spent up to now is 429.1 secs Computing kpt #: 333 total cpu time spent up to now is 430.2 secs Computing kpt #: 334 total cpu time spent up to now is 431.2 secs Computing kpt #: 335 total cpu time spent up to now is 432.3 secs Computing kpt #: 336 total cpu time spent up to now is 433.4 secs Computing kpt #: 337 total cpu time spent up to now is 434.4 secs Computing kpt #: 338 total cpu time spent up to now is 435.5 secs Computing kpt #: 339 total cpu time spent up to now is 436.6 secs Computing kpt #: 340 total cpu time spent up to now is 437.7 secs Computing kpt #: 341 total cpu time spent up to now is 438.7 secs Computing kpt #: 342 total cpu time spent up to now is 439.8 secs Computing kpt #: 343 total cpu time spent up to now is 440.9 secs Computing kpt #: 344 total cpu time spent up to now is 442.0 secs Computing kpt #: 345 total cpu time spent up to now is 443.1 secs Computing kpt #: 346 total cpu time spent up to now is 444.1 secs Computing kpt #: 347 total cpu time spent up to now is 445.2 secs Computing kpt #: 348 total cpu time spent up to now is 446.3 secs Computing kpt #: 349 total cpu time spent up to now is 447.4 secs Computing kpt #: 350 total cpu time spent up to now is 448.4 secs Computing kpt #: 351 total cpu time spent up to now is 449.5 secs Computing kpt #: 352 total cpu time spent up to now is 450.6 secs Computing kpt #: 353 total cpu time spent up to now is 451.6 secs Computing kpt #: 354 total cpu time spent up to now is 452.7 secs Computing kpt #: 355 total cpu time spent up to now is 453.7 secs Computing kpt #: 356 total cpu time spent up to now is 454.7 secs Computing kpt #: 357 total cpu time spent up to now is 455.8 secs Computing kpt #: 358 total cpu time spent up to now is 456.8 secs ethr = 2.38E-08, avg # of iterations = 23.0 total cpu time spent up to now is 456.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 19305 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.3790 -11.3790 -10.8543 -10.8543 -10.7592 -10.7592 -10.6343 -10.6343 -1.0225 -1.0225 -0.7804 -0.7804 -0.6173 -0.6173 1.0302 1.0302 1.1006 1.1006 1.2478 1.2478 1.3224 1.3224 1.8809 1.8809 1.9304 1.9304 2.0710 2.0710 2.4851 2.4851 2.4949 2.4949 3.7647 3.7647 4.1373 4.1373 4.2063 4.2063 5.0385 5.0385 5.1884 5.1884 7.2018 7.2018 8.3321 8.3321 k = 0.0121 0.0171-0.0000 ( 19325 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.3787 -11.3787 -10.8546 -10.8546 -10.7594 -10.7594 -10.6343 -10.6343 -1.0210 -1.0210 -0.7788 -0.7788 -0.6164 -0.6164 1.0282 1.0282 1.1016 1.1016 1.2460 1.2460 1.3228 1.3228 1.8804 1.8804 1.9289 1.9289 2.0705 2.0705 2.4823 2.4823 2.4941 2.4941 3.7650 3.7650 4.1373 4.1373 4.2063 4.2063 5.0383 5.0383 5.1880 5.1880 7.2065 7.2065 8.3344 8.3344 k = 0.0242 0.0342-0.0000 ( 19327 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.3775 -11.3775 -10.8554 -10.8554 -10.7602 -10.7602 -10.6342 -10.6342 -1.0166 -1.0166 -0.7742 -0.7742 -0.6137 -0.6137 1.0224 1.0224 1.1040 1.1040 1.2408 1.2408 1.3239 1.3239 1.8787 1.8787 1.9243 1.9243 2.0690 2.0690 2.4737 2.4737 2.4920 2.4920 3.7658 3.7658 4.1374 4.1374 4.2065 4.2065 5.0378 5.0378 5.1870 5.1870 7.2206 7.2206 8.3413 8.3413 k = 0.0363 0.0513-0.0000 ( 19315 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.3755 -11.3755 -10.8568 -10.8568 -10.7614 -10.7614 -10.6341 -10.6341 -1.0093 -1.0093 -0.7665 -0.7665 -0.6092 -0.6092 1.0132 1.0132 1.1071 1.1071 1.2329 1.2329 1.3256 1.3256 1.8758 1.8758 1.9168 1.9168 2.0665 2.0665 2.4596 2.4596 2.4888 2.4888 3.7671 3.7671 4.1374 4.1374 4.2069 4.2069 5.0369 5.0369 5.1852 5.1852 7.2437 7.2437 8.3526 8.3526 k = 0.0484 0.0684-0.0000 ( 19311 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.3728 -11.3728 -10.8587 -10.8587 -10.7632 -10.7632 -10.6340 -10.6340 -0.9991 -0.9991 -0.7558 -0.7558 -0.6030 -0.6030 1.0011 1.0011 1.1099 1.1099 1.2232 1.2232 1.3277 1.3277 1.8718 1.8718 1.9061 1.9061 2.0631 2.0631 2.4404 2.4404 2.4845 2.4845 3.7688 3.7688 4.1374 4.1374 4.2074 4.2074 5.0356 5.0356 5.1826 5.1826 7.2758 7.2758 8.3681 8.3681 k = 0.0605 0.0855-0.0000 ( 19323 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.3694 -11.3694 -10.8611 -10.8611 -10.7654 -10.7654 -10.6338 -10.6338 -0.9861 -0.9861 -0.7421 -0.7421 -0.5949 -0.5949 0.9860 0.9860 1.1118 1.1118 1.2128 1.2128 1.3300 1.3300 1.8663 1.8663 1.8924 1.8924 2.0587 2.0587 2.4168 2.4168 2.4790 2.4790 3.7709 3.7709 4.1374 4.1374 4.2080 4.2080 5.0341 5.0341 5.1793 5.1793 7.3162 7.3162 8.3877 8.3877 k = 0.0726 0.1026-0.0000 ( 19317 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.3652 -11.3652 -10.8640 -10.8640 -10.7681 -10.7681 -10.6336 -10.6336 -0.9704 -0.9704 -0.7255 -0.7255 -0.5850 -0.5850 0.9678 0.9678 1.1119 1.1119 1.2026 1.2026 1.3326 1.3326 1.8582 1.8582 1.8767 1.8767 2.0534 2.0534 2.3896 2.3896 2.4725 2.4725 3.7733 3.7733 4.1375 4.1375 4.2088 4.2088 5.0323 5.0323 5.1752 5.1752 7.3645 7.3645 8.4110 8.4110 k = 0.0847 0.1197-0.0000 ( 19313 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.3602 -11.3602 -10.8673 -10.8673 -10.7712 -10.7712 -10.6334 -10.6334 -0.9522 -0.9522 -0.7061 -0.7061 -0.5733 -0.5733 0.9462 0.9462 1.1098 1.1098 1.1936 1.1936 1.3356 1.3356 1.8440 1.8440 1.8626 1.8626 2.0472 2.0472 2.3595 2.3595 2.4650 2.4650 3.7760 3.7760 4.1375 4.1375 4.2097 4.2097 5.0303 5.0303 5.1703 5.1703 7.4202 7.4202 8.4377 8.4377 k = 0.0968 0.1369-0.0000 ( 19305 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.3546 -11.3546 -10.8711 -10.8711 -10.7748 -10.7748 -10.6332 -10.6332 -0.9315 -0.9315 -0.6841 -0.6841 -0.5597 -0.5597 0.9210 0.9210 1.1056 1.1056 1.1861 1.1861 1.3392 1.3392 1.8213 1.8213 1.8522 1.8522 2.0402 2.0402 2.3275 2.3275 2.4565 2.4565 3.7787 3.7787 4.1376 4.1376 4.2109 4.2109 5.0280 5.0280 5.1646 5.1646 7.4825 7.4825 8.4675 8.4675 k = 0.1089 0.1540-0.0000 ( 19309 PWs) bands (ev): -41.9820 -41.9820 -41.9817 -41.9817 -11.3483 -11.3483 -10.8752 -10.8752 -10.7787 -10.7787 -10.6331 -10.6331 -0.9086 -0.9086 -0.6596 -0.6596 -0.5442 -0.5442 0.8922 0.8922 1.0998 1.0998 1.1796 1.1796 1.3434 1.3434 1.7932 1.7932 1.8430 1.8430 2.0325 2.0325 2.2941 2.2941 2.4473 2.4473 3.7815 3.7815 4.1377 4.1377 4.2122 4.2122 5.0257 5.0257 5.1581 5.1581 7.5509 7.5509 8.4997 8.4997 k = 0.1210 0.1711-0.0000 ( 19309 PWs) bands (ev): -41.9820 -41.9820 -41.9817 -41.9817 -11.3414 -11.3414 -10.8797 -10.8797 -10.7831 -10.7831 -10.6330 -10.6330 -0.8836 -0.8836 -0.6327 -0.6327 -0.5267 -0.5267 0.8599 0.8599 1.0932 1.0932 1.1734 1.1734 1.3483 1.3483 1.7611 1.7611 1.8335 1.8335 2.0240 2.0240 2.2602 2.2602 2.4372 2.4372 3.7843 3.7843 4.1378 4.1378 4.2137 4.2137 5.0232 5.0232 5.1507 5.1507 7.6246 7.6246 8.5341 8.5341 k = 0.1331 0.1882-0.0000 ( 19303 PWs) bands (ev): -41.9820 -41.9820 -41.9817 -41.9817 -11.3339 -11.3339 -10.8845 -10.8845 -10.7878 -10.7878 -10.6330 -10.6330 -0.8567 -0.8567 -0.6038 -0.6038 -0.5071 -0.5071 0.8246 0.8246 1.0863 1.0863 1.1665 1.1665 1.3539 1.3539 1.7262 1.7262 1.8235 1.8235 2.0148 2.0148 2.2261 2.2261 2.4266 2.4266 3.7871 3.7871 4.1380 4.1380 4.2154 4.2154 5.0208 5.0208 5.1425 5.1425 7.7030 7.7030 8.5700 8.5700 k = 0.1452 0.2053-0.0000 ( 19301 PWs) bands (ev): -41.9819 -41.9819 -41.9817 -41.9817 -11.3258 -11.3258 -10.8895 -10.8895 -10.7928 -10.7928 -10.6331 -10.6331 -0.8283 -0.8283 -0.5732 -0.5732 -0.4852 -0.4852 0.7868 0.7868 1.0793 1.0793 1.1581 1.1581 1.3600 1.3600 1.6895 1.6895 1.8131 1.8131 2.0050 2.0050 2.1922 2.1922 2.4154 2.4154 3.7897 3.7897 4.1381 4.1381 4.2174 4.2174 5.0183 5.0183 5.1336 5.1336 7.7853 7.7853 8.6070 8.6070 k = 0.1573 0.2224-0.0000 ( 19301 PWs) bands (ev): -41.9819 -41.9819 -41.9817 -41.9817 -11.3172 -11.3172 -10.8947 -10.8947 -10.7981 -10.7981 -10.6333 -10.6333 -0.7985 -0.7985 -0.5413 -0.5413 -0.4608 -0.4608 0.7470 0.7470 1.0723 1.0723 1.1476 1.1476 1.3663 1.3663 1.6523 1.6523 1.8021 1.8021 1.9945 1.9945 2.1586 2.1586 2.4037 2.4037 3.7922 3.7922 4.1383 4.1383 4.2196 4.2196 5.0159 5.0159 5.1239 5.1239 7.8709 7.8709 8.6445 8.6445 k = 0.1694 0.2395-0.0000 ( 19283 PWs) bands (ev): -41.9819 -41.9819 -41.9817 -41.9817 -11.3081 -11.3081 -10.9000 -10.9000 -10.8036 -10.8036 -10.6337 -10.6337 -0.7677 -0.7677 -0.5086 -0.5086 -0.4335 -0.4335 0.7061 0.7061 1.0646 1.0646 1.1348 1.1348 1.3724 1.3724 1.6165 1.6165 1.7907 1.7907 1.9834 1.9834 2.1255 2.1255 2.3917 2.3917 3.7945 3.7945 4.1384 4.1384 4.2220 4.2220 5.0135 5.0135 5.1134 5.1134 7.9592 7.9592 8.6820 8.6820 k = 0.1815 0.2566-0.0000 ( 19301 PWs) bands (ev): -41.9819 -41.9819 -41.9817 -41.9817 -11.2986 -11.2986 -10.9053 -10.9053 -10.8094 -10.8094 -10.6343 -10.6343 -0.7363 -0.7363 -0.4756 -0.4756 -0.4031 -0.4031 0.6644 0.6644 1.0549 1.0549 1.1202 1.1202 1.3777 1.3777 1.5841 1.5841 1.7790 1.7790 1.9717 1.9717 2.0927 2.0927 2.3795 2.3795 3.7965 3.7965 4.1386 4.1386 4.2246 4.2246 5.0113 5.0113 5.1022 5.1022 8.0495 8.0495 8.7190 8.7190 k = 0.1936 0.2737-0.0000 ( 19293 PWs) bands (ev): -41.9819 -41.9819 -41.9817 -41.9817 -11.2888 -11.2888 -10.9106 -10.9106 -10.8154 -10.8154 -10.6350 -10.6350 -0.7046 -0.7046 -0.4428 -0.4428 -0.3693 -0.3693 0.6228 0.6228 1.0403 1.0403 1.1057 1.1057 1.3815 1.3815 1.5571 1.5571 1.7669 1.7669 1.9591 1.9591 2.0604 2.0604 2.3671 2.3671 3.7983 3.7983 4.1388 4.1388 4.2275 4.2275 5.0092 5.0092 5.0904 5.0904 8.1412 8.1412 8.7551 8.7551 k = 0.2057 0.2908-0.0000 ( 19278 PWs) bands (ev): -41.9819 -41.9819 -41.9818 -41.9818 -11.2787 -11.2787 -10.9157 -10.9157 -10.8215 -10.8215 -10.6360 -10.6360 -0.6731 -0.6731 -0.4101 -0.4101 -0.3323 -0.3323 0.5817 0.5817 1.0175 1.0175 1.0943 1.0943 1.3833 1.3833 1.5373 1.5373 1.7547 1.7547 1.9452 1.9452 2.0290 2.0290 2.3547 2.3547 3.7999 3.7999 4.1390 4.1390 4.2307 4.2307 5.0071 5.0071 5.0780 5.0780 8.2337 8.2337 8.7898 8.7898 k = 0.2178 0.3079-0.0000 ( 19270 PWs) bands (ev): -41.9819 -41.9819 -41.9818 -41.9818 -11.2685 -11.2685 -10.9207 -10.9207 -10.8278 -10.8278 -10.6372 -10.6372 -0.6422 -0.6422 -0.3776 -0.3776 -0.2925 -0.2925 0.5417 0.5417 0.9852 0.9852 1.0870 1.0870 1.3827 1.3827 1.5254 1.5254 1.7424 1.7424 1.9293 1.9293 1.9991 1.9991 2.3423 2.3423 3.8012 3.8012 4.1392 4.1392 4.2340 4.2340 5.0051 5.0051 5.0652 5.0652 8.3264 8.3264 8.8229 8.8229 k = 0.2299 0.3250-0.0000 ( 19272 PWs) bands (ev): -41.9818 -41.9818 -41.9818 -41.9818 -11.2581 -11.2581 -10.9253 -10.9253 -10.8341 -10.8341 -10.6387 -10.6387 -0.6124 -0.6124 -0.3448 -0.3448 -0.2504 -0.2504 0.5034 0.5034 0.9449 0.9449 1.0830 1.0830 1.3806 1.3806 1.5208 1.5208 1.7302 1.7302 1.9099 1.9099 1.9724 1.9724 2.3299 2.3299 3.8022 3.8022 4.1394 4.1394 4.2376 4.2376 5.0028 5.0028 5.0522 5.0522 8.4187 8.4187 8.8541 8.8541 k = 0.2420 0.3421-0.0000 ( 19278 PWs) bands (ev): -41.9818 -41.9818 -41.9818 -41.9818 -11.2478 -11.2478 -10.9296 -10.9296 -10.8404 -10.8404 -10.6405 -10.6405 -0.5842 -0.5842 -0.3115 -0.3115 -0.2067 -0.2067 0.4673 0.4673 0.8986 0.8986 1.0811 1.0811 1.3782 1.3782 1.5217 1.5217 1.7180 1.7180 1.8856 1.8856 1.9502 1.9502 2.3178 2.3178 3.8029 3.8029 4.1396 4.1396 4.2413 4.2413 4.9996 4.9996 5.0397 5.0397 8.5099 8.5099 8.8833 8.8833 k = 0.2541 0.3592-0.0000 ( 19278 PWs) bands (ev): -41.9818 -41.9818 -41.9818 -41.9818 -11.2376 -11.2376 -10.9333 -10.9333 -10.8468 -10.8468 -10.6426 -10.6426 -0.5581 -0.5581 -0.2777 -0.2777 -0.1618 -0.1618 0.4338 0.4338 0.8481 0.8481 1.0806 1.0806 1.3766 1.3766 1.5262 1.5262 1.7062 1.7062 1.8567 1.8567 1.9324 1.9324 2.3058 2.3058 3.8033 3.8033 4.1398 4.1398 4.2453 4.2453 4.9946 4.9946 5.0288 5.0288 8.5992 8.5992 8.9104 8.9104 k = 0.2662 0.3763-0.0000 ( 19272 PWs) bands (ev): -41.9818 -41.9818 -41.9818 -41.9818 -11.2276 -11.2276 -10.9364 -10.9364 -10.8531 -10.8531 -10.6451 -10.6451 -0.5345 -0.5345 -0.2431 -0.2431 -0.1161 -0.1161 0.4035 0.4035 0.7949 0.7949 1.0811 1.0811 1.3765 1.3765 1.5325 1.5325 1.6948 1.6948 1.8248 1.8248 1.9177 1.9177 2.2941 2.2941 3.8034 3.8034 4.1399 4.1399 4.2494 4.2494 4.9861 4.9861 5.0211 5.0211 8.6856 8.6856 8.9358 8.9358 k = 0.2783 0.3934-0.0000 ( 19272 PWs) bands (ev): -41.9818 -41.9818 -41.9818 -41.9818 -11.2180 -11.2180 -10.9388 -10.9388 -10.8593 -10.8593 -10.6479 -10.6479 -0.5139 -0.5139 -0.2079 -0.2079 -0.0701 -0.0701 0.3765 0.3765 0.7404 0.7404 1.0825 1.0825 1.3779 1.3779 1.5394 1.5394 1.6840 1.6840 1.7918 1.7918 1.9049 1.9049 2.2827 2.2827 3.8033 3.8033 4.1401 4.1401 4.2537 4.2537 4.9738 4.9738 5.0169 5.0169 8.7675 8.7675 8.9602 8.9602 k = 0.2904 0.4106-0.0000 ( 19288 PWs) bands (ev): -41.9819 -41.9819 -41.9818 -41.9818 -11.2089 -11.2089 -10.9403 -10.9403 -10.8655 -10.8655 -10.6511 -10.6511 -0.4965 -0.4965 -0.1722 -0.1722 -0.0243 -0.0243 0.3533 0.3533 0.6855 0.6855 1.0846 1.0846 1.3809 1.3809 1.5456 1.5456 1.6736 1.6736 1.7594 1.7594 1.8934 1.8934 2.2717 2.2717 3.8028 3.8028 4.1402 4.1402 4.2581 4.2581 4.9590 4.9590 5.0150 5.0150 8.8416 8.8416 8.9860 8.9860 k = 0.3025 0.4277-0.0000 ( 19282 PWs) bands (ev): -41.9819 -41.9819 -41.9818 -41.9818 -11.2004 -11.2004 -10.9408 -10.9408 -10.8715 -10.8715 -10.6547 -10.6547 -0.4825 -0.4825 -0.1359 -0.1359 0.0210 0.0210 0.3337 0.3337 0.6314 0.6314 1.0872 1.0872 1.3851 1.3851 1.5496 1.5496 1.6626 1.6626 1.7304 1.7304 1.8828 1.8828 2.2611 2.2611 3.8021 3.8021 4.1404 4.1404 4.2626 4.2626 4.9427 4.9427 5.0145 5.0145 8.9013 8.9013 9.0190 9.0190 k = 0.3146 0.4448-0.0000 ( 19266 PWs) bands (ev): -41.9819 -41.9819 -41.9817 -41.9817 -11.1926 -11.1926 -10.9402 -10.9402 -10.8773 -10.8773 -10.6587 -10.6587 -0.4720 -0.4720 -0.0995 -0.0995 0.0653 0.0653 0.3179 0.3179 0.5790 0.5790 1.0903 1.0903 1.3900 1.3900 1.5496 1.5496 1.6483 1.6483 1.7096 1.7096 1.8730 1.8730 2.2511 2.2511 3.8011 3.8011 4.1405 4.1405 4.2671 4.2671 4.9256 4.9256 5.0147 5.0147 8.9392 8.9392 9.0659 9.0659 k = 0.3267 0.4619-0.0000 ( 19264 PWs) bands (ev): -41.9819 -41.9819 -41.9817 -41.9817 -11.1857 -11.1857 -10.9384 -10.9384 -10.8830 -10.8830 -10.6631 -10.6631 -0.4648 -0.4648 -0.0631 -0.0631 0.1082 0.1082 0.3052 0.3052 0.5294 0.5294 1.0937 1.0937 1.3948 1.3948 1.5440 1.5440 1.6295 1.6295 1.7008 1.7008 1.8638 1.8638 2.2416 2.2416 3.7998 3.7998 4.1406 4.1406 4.2717 4.2717 4.9080 4.9080 5.0154 5.0154 8.9584 8.9584 9.1225 9.1225 k = 0.3388 0.4790-0.0000 ( 19256 PWs) bands (ev): -41.9819 -41.9819 -41.9817 -41.9817 -11.1797 -11.1797 -10.9355 -10.9355 -10.8884 -10.8884 -10.6679 -10.6679 -0.4608 -0.4608 -0.0272 -0.0272 0.1489 0.1489 0.2953 0.2953 0.4841 0.4841 1.0975 1.0975 1.3980 1.3980 1.5318 1.5318 1.6105 1.6105 1.7020 1.7020 1.8553 1.8553 2.2327 2.2327 3.7983 3.7983 4.1407 4.1407 4.2762 4.2762 4.8901 4.8901 5.0164 5.0164 8.9668 8.9668 9.1806 9.1806 k = 0.3508 0.4961-0.0000 ( 19264 PWs) bands (ev): -41.9819 -41.9819 -41.9817 -41.9817 -11.1746 -11.1746 -10.9314 -10.9314 -10.8935 -10.8935 -10.6731 -10.6731 -0.4594 -0.4594 0.0075 0.0075 0.1866 0.1866 0.2868 0.2868 0.4452 0.4452 1.1015 1.1015 1.3971 1.3971 1.5154 1.5154 1.5949 1.5949 1.7093 1.7093 1.8474 1.8474 2.2244 2.2244 3.7966 3.7966 4.1408 4.1408 4.2807 4.2807 4.8722 4.8722 5.0176 5.0176 8.9686 8.9686 9.2355 9.2355 k = 0.3629 0.5132-0.0000 ( 19270 PWs) bands (ev): -41.9819 -41.9819 -41.9817 -41.9817 -11.1704 -11.1704 -10.9262 -10.9262 -10.8983 -10.8983 -10.6787 -10.6787 -0.4601 -0.4601 0.0399 0.0399 0.2199 0.2199 0.2787 0.2787 0.4158 0.4158 1.1056 1.1056 1.3884 1.3884 1.5007 1.5007 1.5827 1.5827 1.7205 1.7205 1.8402 1.8402 2.2168 2.2168 3.7947 3.7947 4.1408 4.1408 4.2850 4.2850 4.8545 4.8545 5.0190 5.0190 8.9658 8.9658 9.2853 9.2853 k = 0.3750 0.5303-0.0000 ( 19270 PWs) bands (ev): -41.9819 -41.9819 -41.9817 -41.9817 -11.1671 -11.1671 -10.9200 -10.9200 -10.9028 -10.9028 -10.6847 -10.6847 -0.4626 -0.4626 0.0681 0.0681 0.2443 0.2443 0.2729 0.2729 0.3995 0.3995 1.1098 1.1098 1.3694 1.3694 1.4928 1.4928 1.5728 1.5728 1.7341 1.7341 1.8336 1.8336 2.2099 2.2099 3.7926 3.7926 4.1409 4.1409 4.2893 4.2893 4.8371 4.8371 5.0204 5.0204 8.9595 8.9595 9.3294 9.3294 k = 0.3750 0.5303-0.0000 ( 19270 PWs) bands (ev): -41.9819 -41.9819 -41.9817 -41.9817 -11.1671 -11.1671 -10.9200 -10.9200 -10.9028 -10.9028 -10.6847 -10.6847 -0.4626 -0.4626 0.0681 0.0681 0.2443 0.2443 0.2729 0.2729 0.3995 0.3995 1.1098 1.1098 1.3694 1.3694 1.4928 1.4928 1.5728 1.5728 1.7341 1.7341 1.8336 1.8336 2.2099 2.2099 3.7926 3.7926 4.1409 4.1409 4.2893 4.2893 4.8371 4.8371 5.0204 5.0204 8.9595 8.9595 9.3294 9.3294 k = 0.3542 0.5303-0.0000 ( 19262 PWs) bands (ev): -41.9819 -41.9819 -41.9817 -41.9817 -11.1694 -11.1694 -10.9254 -10.9254 -10.8980 -10.8980 -10.6813 -10.6813 -0.4628 -0.4628 0.0490 0.0490 0.2250 0.2250 0.2805 0.2805 0.4143 0.4143 1.1074 1.1074 1.3794 1.3794 1.4952 1.4952 1.5822 1.5822 1.7228 1.7228 1.8413 1.8413 2.2141 2.2141 3.7938 3.7938 4.1409 4.1409 4.2867 4.2867 4.8476 4.8476 5.0196 5.0196 8.9624 8.9624 9.3013 9.3013 k = 0.3334 0.5303-0.0000 ( 19251 PWs) bands (ev): -41.9819 -41.9819 -41.9817 -41.9817 -11.1726 -11.1726 -10.9322 -10.9322 -10.8902 -10.8902 -10.6783 -10.6783 -0.4671 -0.4671 0.0240 0.0240 0.1952 0.1952 0.2976 0.2976 0.4403 0.4403 1.1050 1.1050 1.3794 1.3794 1.5009 1.5009 1.5976 1.5976 1.7090 1.7090 1.8547 1.8547 2.2192 2.2192 3.7949 3.7949 4.1408 4.1408 4.2837 4.2837 4.8596 4.8596 5.0189 5.0189 8.9625 8.9625 9.2651 9.2651 k = 0.3125 0.5303-0.0000 ( 19252 PWs) bands (ev): -41.9819 -41.9819 -41.9817 -41.9817 -11.1767 -11.1767 -10.9392 -10.9392 -10.8810 -10.8810 -10.6756 -10.6756 -0.4754 -0.4754 -0.0034 -0.0034 0.1641 0.1641 0.3193 0.3193 0.4699 0.4699 1.1025 1.1025 1.3693 1.3693 1.5111 1.5111 1.6149 1.6149 1.6976 1.6976 1.8711 1.8711 2.2253 2.2253 3.7960 3.7960 4.1408 4.1408 4.2803 4.2803 4.8728 4.8728 5.0182 5.0182 8.9601 8.9601 9.2224 9.2224 k = 0.2917 0.5303-0.0000 ( 19258 PWs) bands (ev): -41.9819 -41.9819 -41.9817 -41.9817 -11.1812 -11.1812 -10.9460 -10.9460 -10.8707 -10.8707 -10.6734 -10.6734 -0.4874 -0.4874 -0.0315 -0.0315 0.1353 0.1353 0.3437 0.3437 0.4999 0.4999 1.1001 1.1001 1.3519 1.3519 1.5225 1.5225 1.6285 1.6285 1.6953 1.6953 1.8892 1.8892 2.2325 2.2325 3.7970 3.7970 4.1407 4.1407 4.2765 4.2765 4.8871 4.8871 5.0178 5.0178 8.9554 8.9554 9.1747 9.1747 k = 0.2709 0.5303-0.0000 ( 19271 PWs) bands (ev): -41.9819 -41.9819 -41.9817 -41.9817 -11.1861 -11.1861 -10.9527 -10.9527 -10.8598 -10.8598 -10.6717 -10.6717 -0.5024 -0.5024 -0.0596 -0.0596 0.1103 0.1103 0.3698 0.3698 0.5291 0.5291 1.0977 1.0977 1.3299 1.3299 1.5311 1.5311 1.6337 1.6337 1.7080 1.7080 1.9081 1.9081 2.2408 2.2408 3.7979 3.7979 4.1406 4.1406 4.2724 4.2724 4.9022 4.9022 5.0174 5.0174 8.9483 8.9483 9.1240 9.1240 k = 0.2500 0.5303-0.0000 ( 19267 PWs) bands (ev): -41.9819 -41.9819 -41.9817 -41.9817 -11.1912 -11.1912 -10.9590 -10.9590 -10.8484 -10.8484 -10.6705 -10.6705 -0.5198 -0.5198 -0.0876 -0.0876 0.0894 0.0894 0.3973 0.3973 0.5566 0.5566 1.0952 1.0952 1.3050 1.3050 1.5342 1.5342 1.6354 1.6354 1.7312 1.7312 1.9274 1.9274 2.2503 2.2503 3.7987 3.7987 4.1405 4.1405 4.2680 4.2680 4.9178 4.9178 5.0173 5.0173 8.9379 8.9379 9.0729 9.0729 k = 0.2292 0.5303-0.0000 ( 19261 PWs) bands (ev): -41.9819 -41.9819 -41.9817 -41.9817 -11.1963 -11.1963 -10.9650 -10.9650 -10.8368 -10.8368 -10.6698 -10.6698 -0.5387 -0.5387 -0.1151 -0.1151 0.0726 0.0726 0.4258 0.4258 0.5823 0.5823 1.0928 1.0928 1.2780 1.2780 1.5313 1.5313 1.6393 1.6393 1.7585 1.7585 1.9466 1.9466 2.2612 2.2612 3.7995 3.7995 4.1403 4.1403 4.2633 4.2633 4.9336 4.9336 5.0176 5.0176 8.9219 8.9219 9.0247 9.0247 k = 0.2084 0.5303-0.0000 ( 19262 PWs) bands (ev): -41.9819 -41.9819 -41.9817 -41.9817 -11.2013 -11.2013 -10.9706 -10.9706 -10.8252 -10.8252 -10.6698 -10.6698 -0.5584 -0.5584 -0.1417 -0.1417 0.0592 0.0592 0.4551 0.4551 0.6060 0.6060 1.0903 1.0903 1.2498 1.2498 1.5240 1.5240 1.6462 1.6462 1.7863 1.7863 1.9653 1.9653 2.2734 2.2734 3.8001 3.8001 4.1400 4.1400 4.2586 4.2586 4.9492 4.9492 5.0183 5.0183 8.8962 8.8962 8.9836 8.9836 k = 0.1875 0.5303-0.0000 ( 19250 PWs) bands (ev): -41.9819 -41.9819 -41.9817 -41.9817 -11.2061 -11.2061 -10.9757 -10.9757 -10.8136 -10.8136 -10.6703 -10.6703 -0.5781 -0.5781 -0.1670 -0.1670 0.0488 0.0488 0.4850 0.4850 0.6276 0.6276 1.0877 1.0877 1.2207 1.2207 1.5145 1.5145 1.6547 1.6547 1.8130 1.8130 1.9833 1.9833 2.2869 2.2869 3.8007 3.8007 4.1397 4.1397 4.2538 4.2538 4.9639 4.9639 5.0199 5.0199 8.8591 8.8591 8.9482 8.9482 k = 0.1667 0.5303-0.0000 ( 19239 PWs) bands (ev): -41.9819 -41.9819 -41.9817 -41.9817 -11.2105 -11.2105 -10.9804 -10.9804 -10.8023 -10.8023 -10.6713 -10.6713 -0.5971 -0.5971 -0.1905 -0.1905 0.0406 0.0406 0.5152 0.5152 0.6470 0.6470 1.0848 1.0848 1.1913 1.1913 1.5043 1.5043 1.6637 1.6637 1.8377 1.8377 1.9999 1.9999 2.3014 2.3014 3.8013 3.8013 4.1393 4.1393 4.2490 4.2490 4.9769 4.9769 5.0228 5.0228 8.8160 8.8160 8.9064 8.9064 k = 0.1459 0.5303-0.0000 ( 19242 PWs) bands (ev): -41.9819 -41.9819 -41.9818 -41.9818 -11.2146 -11.2146 -10.9846 -10.9846 -10.7913 -10.7913 -10.6730 -10.6730 -0.6149 -0.6149 -0.2119 -0.2119 0.0342 0.0342 0.5453 0.5453 0.6644 0.6644 1.0812 1.0812 1.1625 1.1625 1.4945 1.4945 1.6725 1.6725 1.8598 1.8598 2.0149 2.0149 2.3167 2.3167 3.8017 3.8017 4.1389 4.1389 4.2444 4.2444 4.9871 4.9871 5.0277 5.0277 8.7722 8.7722 8.8549 8.8549 k = 0.1250 0.5303-0.0000 ( 19241 PWs) bands (ev): -41.9818 -41.9818 -41.9818 -41.9818 -11.2182 -11.2182 -10.9882 -10.9882 -10.7809 -10.7809 -10.6751 -10.6751 -0.6311 -0.6311 -0.2309 -0.2309 0.0292 0.0292 0.5748 0.5748 0.6799 0.6799 1.0756 1.0756 1.1360 1.1360 1.4855 1.4855 1.6805 1.6805 1.8791 1.8791 2.0279 2.0279 2.3322 2.3322 3.8021 3.8021 4.1385 4.1385 4.2401 4.2401 4.9940 4.9940 5.0349 5.0349 8.7311 8.7311 8.8024 8.8024 k = 0.1042 0.5303-0.0000 ( 19248 PWs) bands (ev): -41.9818 -41.9818 -41.9818 -41.9818 -11.2214 -11.2214 -10.9914 -10.9914 -10.7712 -10.7712 -10.6777 -10.6777 -0.6454 -0.6454 -0.2474 -0.2474 0.0254 0.0254 0.6029 0.6029 0.6936 0.6936 1.0656 1.0656 1.1148 1.1148 1.4776 1.4776 1.6875 1.6875 1.8954 1.8954 2.0388 2.0388 2.3471 2.3471 3.8024 3.8024 4.1380 4.1380 4.2362 4.2362 4.9980 4.9980 5.0436 5.0436 8.6944 8.6944 8.7546 8.7546 k = 0.0833 0.5303-0.0000 ( 19261 PWs) bands (ev): -41.9818 -41.9818 -41.9818 -41.9818 -11.2240 -11.2240 -10.9939 -10.9939 -10.7623 -10.7623 -10.6807 -10.6807 -0.6574 -0.6574 -0.2610 -0.2610 0.0224 0.0224 0.6286 0.6286 0.7058 0.7058 1.0491 1.0491 1.1021 1.1021 1.4710 1.4710 1.6935 1.6935 1.9087 1.9087 2.0476 2.0476 2.3607 2.3607 3.8027 3.8027 4.1376 4.1376 4.2328 4.2328 5.0003 5.0003 5.0522 5.0522 8.6632 8.6632 8.7138 8.7138 k = 0.0625 0.5303-0.0000 ( 19267 PWs) bands (ev): -41.9818 -41.9818 -41.9818 -41.9818 -11.2261 -11.2261 -10.9959 -10.9959 -10.7546 -10.7546 -10.6837 -10.6837 -0.6669 -0.6669 -0.2717 -0.2717 0.0203 0.0203 0.6504 0.6504 0.7169 0.7169 1.0291 1.0291 1.0959 1.0959 1.4658 1.4658 1.6982 1.6982 1.9190 1.9190 2.0543 2.0543 2.3722 2.3722 3.8029 3.8029 4.1372 4.1372 4.2300 4.2300 5.0016 5.0016 5.0597 5.0597 8.6382 8.6382 8.6811 8.6811 k = 0.0417 0.5303-0.0000 ( 19272 PWs) bands (ev): -41.9818 -41.9818 -41.9818 -41.9818 -11.2276 -11.2276 -10.9974 -10.9974 -10.7485 -10.7485 -10.6865 -10.6865 -0.6738 -0.6738 -0.2795 -0.2795 0.0188 0.0188 0.6668 0.6668 0.7267 0.7267 1.0108 1.0108 1.0929 1.0929 1.4621 1.4621 1.7016 1.7016 1.9264 1.9264 2.0590 2.0590 2.3809 2.3809 3.8030 3.8030 4.1369 4.1369 4.2280 4.2280 5.0023 5.0023 5.0655 5.0655 8.6200 8.6200 8.6573 8.6573 k = 0.0208 0.5303-0.0000 ( 19266 PWs) bands (ev): -41.9818 -41.9818 -41.9818 -41.9818 -11.2285 -11.2285 -10.9983 -10.9983 -10.7444 -10.7444 -10.6885 -10.6885 -0.6780 -0.6780 -0.2841 -0.2841 0.0179 0.0179 0.6766 0.6766 0.7340 0.7340 0.9980 0.9980 1.0914 1.0914 1.4598 1.4598 1.7036 1.7036 1.9308 1.9308 2.0618 2.0618 2.3864 2.3864 3.8031 3.8031 4.1367 4.1367 4.2267 4.2267 5.0027 5.0027 5.0691 5.0691 8.6090 8.6090 8.6428 8.6428 k = 0.0000 0.5303-0.0000 ( 19272 PWs) bands (ev): -41.9818 -41.9818 -41.9818 -41.9818 -11.2288 -11.2288 -10.9986 -10.9986 -10.7430 -10.7430 -10.6892 -10.6892 -0.6794 -0.6794 -0.2857 -0.2857 0.0176 0.0176 0.6798 0.6798 0.7368 0.7368 0.9933 0.9933 1.0910 1.0910 1.4591 1.4591 1.7043 1.7043 1.9323 1.9323 2.0627 2.0627 2.3882 2.3882 3.8031 3.8031 4.1366 4.1366 4.2263 4.2263 5.0028 5.0028 5.0704 5.0704 8.6053 8.6053 8.6380 8.6380 k = 0.0000 0.5303-0.0000 ( 19272 PWs) bands (ev): -41.9818 -41.9818 -41.9818 -41.9818 -11.2288 -11.2288 -10.9986 -10.9986 -10.7430 -10.7430 -10.6892 -10.6892 -0.6794 -0.6794 -0.2857 -0.2857 0.0176 0.0176 0.6798 0.6798 0.7368 0.7368 0.9933 0.9933 1.0910 1.0910 1.4591 1.4591 1.7043 1.7043 1.9323 1.9323 2.0627 2.0627 2.3882 2.3882 3.8031 3.8031 4.1366 4.1366 4.2263 4.2263 5.0028 5.0028 5.0704 5.0704 8.6053 8.6053 8.6380 8.6380 k = 0.0000 0.5303 0.0208 ( 19264 PWs) bands (ev): -41.9818 -41.9818 -41.9818 -41.9818 -11.2284 -11.2284 -10.9982 -10.9982 -10.7428 -10.7428 -10.6891 -10.6891 -0.6787 -0.6787 -0.2851 -0.2851 0.0180 0.0180 0.6783 0.6783 0.7360 0.7360 0.9914 0.9914 1.0919 1.0919 1.4563 1.4563 1.7036 1.7036 1.9304 1.9304 2.0618 2.0618 2.3859 2.3859 3.8051 3.8051 4.1364 4.1364 4.2261 4.2261 5.0013 5.0013 5.0700 5.0700 8.6090 8.6090 8.6429 8.6429 k = 0.0000 0.5303 0.0417 ( 19266 PWs) bands (ev): -41.9818 -41.9818 -41.9818 -41.9818 -11.2271 -11.2271 -10.9973 -10.9973 -10.7423 -10.7423 -10.6887 -10.6887 -0.6765 -0.6765 -0.2834 -0.2834 0.0190 0.0190 0.6737 0.6737 0.7335 0.7335 0.9860 0.9860 1.0943 1.0943 1.4482 1.4482 1.7017 1.7017 1.9248 1.9248 2.0590 2.0590 2.3790 2.3790 3.8108 3.8108 4.1359 4.1359 4.2256 4.2256 4.9966 4.9966 5.0691 5.0691 8.6202 8.6202 8.6576 8.6576 k = 0.0000 0.5303 0.0625 ( 19254 PWs) bands (ev): -41.9818 -41.9818 -41.9818 -41.9818 -11.2250 -11.2250 -10.9958 -10.9958 -10.7415 -10.7415 -10.6881 -10.6881 -0.6728 -0.6728 -0.2805 -0.2805 0.0208 0.0208 0.6661 0.6661 0.7291 0.7291 0.9774 0.9774 1.0978 1.0978 1.4351 1.4351 1.6982 1.6982 1.9156 1.9156 2.0539 2.0539 2.3680 2.3680 3.8201 3.8201 4.1349 4.1349 4.2248 4.2248 4.9889 4.9889 5.0677 5.0677 8.6385 8.6385 8.6818 8.6818 k = 0.0000 0.5303 0.0834 ( 19260 PWs) bands (ev): -41.9818 -41.9818 -41.9818 -41.9818 -11.2220 -11.2220 -10.9937 -10.9937 -10.7404 -10.7404 -10.6872 -10.6872 -0.6677 -0.6677 -0.2765 -0.2765 0.0232 0.0232 0.6556 0.6556 0.7227 0.7227 0.9660 0.9660 1.1020 1.1020 1.4177 1.4177 1.6933 1.6933 1.9033 1.9033 2.0461 2.0461 2.3536 2.3536 3.8325 3.8325 4.1337 4.1337 4.2236 4.2236 4.9781 4.9781 5.0662 5.0662 8.6637 8.6637 8.7151 8.7151 k = 0.0000 0.5303 0.1042 ( 19254 PWs) bands (ev): -41.9818 -41.9818 -41.9818 -41.9818 -11.2181 -11.2181 -10.9910 -10.9910 -10.7389 -10.7389 -10.6861 -10.6861 -0.6613 -0.6613 -0.2715 -0.2715 0.0262 0.0262 0.6424 0.6424 0.7140 0.7140 0.9521 0.9521 1.1065 1.1065 1.3967 1.3967 1.6867 1.6867 1.8879 1.8879 2.0353 2.0353 2.3368 2.3368 3.8476 3.8476 4.1322 4.1322 4.2220 4.2220 4.9646 4.9646 5.0647 5.0647 8.6952 8.6952 8.7570 8.7570 k = 0.0000 0.5303 0.1251 ( 19256 PWs) bands (ev): -41.9818 -41.9818 -41.9818 -41.9818 -11.2135 -11.2135 -10.9877 -10.9877 -10.7371 -10.7371 -10.6847 -10.6847 -0.6534 -0.6534 -0.2654 -0.2654 0.0298 0.0298 0.6265 0.6265 0.7024 0.7024 0.9358 0.9358 1.1110 1.1110 1.3732 1.3732 1.6784 1.6784 1.8695 1.8695 2.0215 2.0215 2.3184 2.3184 3.8648 3.8648 4.1304 4.1304 4.2202 4.2202 4.9488 4.9488 5.0633 5.0633 8.7325 8.7325 8.8069 8.8069 k = 0.0000 0.5303 0.1459 ( 19260 PWs) bands (ev): -41.9818 -41.9818 -41.9818 -41.9818 -11.2080 -11.2080 -10.9839 -10.9839 -10.7351 -10.7351 -10.6832 -10.6832 -0.6443 -0.6443 -0.2583 -0.2583 0.0338 0.0338 0.6081 0.6081 0.6878 0.6878 0.9171 0.9171 1.1156 1.1156 1.3480 1.3480 1.6686 1.6686 1.8479 1.8479 2.0049 2.0049 2.2991 2.2991 3.8836 3.8836 4.1284 4.1284 4.2180 4.2180 4.9312 4.9312 5.0620 5.0620 8.7747 8.7747 8.8641 8.8641 k = 0.0000 0.5303 0.1668 ( 19268 PWs) bands (ev): -41.9818 -41.9818 -41.9818 -41.9818 -11.2018 -11.2018 -10.9795 -10.9795 -10.7327 -10.7327 -10.6814 -10.6814 -0.6339 -0.6339 -0.2504 -0.2504 0.0383 0.0383 0.5875 0.5875 0.6697 0.6697 0.8959 0.8959 1.1202 1.1202 1.3221 1.3221 1.6574 1.6574 1.8226 1.8226 1.9861 1.9861 2.2796 2.2796 3.9034 3.9034 4.1263 4.1263 4.2156 4.2156 4.9124 4.9124 5.0607 5.0607 8.8210 8.8210 8.9278 8.9278 k = 0.0000 0.5303 0.1876 ( 19270 PWs) bands (ev): -41.9818 -41.9818 -41.9818 -41.9818 -11.1947 -11.1947 -10.9746 -10.9746 -10.7301 -10.7301 -10.6795 -10.6795 -0.6224 -0.6224 -0.2416 -0.2416 0.0430 0.0430 0.5647 0.5647 0.6476 0.6476 0.8722 0.8722 1.1248 1.1248 1.2966 1.2966 1.6448 1.6448 1.7932 1.7932 1.9662 1.9662 2.2602 2.2602 3.9237 3.9237 4.1241 4.1241 4.2129 4.2129 4.8931 4.8931 5.0594 5.0594 8.8703 8.8703 8.9972 8.9972 k = 0.0000 0.5303 0.2085 ( 19290 PWs) bands (ev): -41.9818 -41.9818 -41.9817 -41.9817 -11.1869 -11.1869 -10.9691 -10.9691 -10.7273 -10.7273 -10.6774 -10.6774 -0.6099 -0.6099 -0.2322 -0.2322 0.0478 0.0478 0.5401 0.5401 0.6215 0.6215 0.8460 0.8460 1.1297 1.1297 1.2724 1.2724 1.6309 1.6309 1.7598 1.7598 1.9461 1.9461 2.2408 2.2408 3.9440 3.9440 4.1218 4.1218 4.2100 4.2100 4.8737 4.8737 5.0581 5.0581 8.9217 8.9217 9.0715 9.0715 k = 0.0000 0.5303 0.2293 ( 19278 PWs) bands (ev): -41.9818 -41.9818 -41.9817 -41.9817 -11.1784 -11.1784 -10.9632 -10.9632 -10.7242 -10.7242 -10.6752 -10.6752 -0.5964 -0.5964 -0.2223 -0.2223 0.0527 0.0527 0.5138 0.5138 0.5913 0.5913 0.8172 0.8172 1.1347 1.1347 1.2501 1.2501 1.6158 1.6158 1.7227 1.7227 1.9263 1.9263 2.2213 2.2213 3.9641 3.9641 4.1195 4.1195 4.2070 4.2070 4.8548 4.8548 5.0567 5.0567 8.9738 8.9738 9.1497 9.1497 k = 0.0000 0.5303 0.2502 ( 19276 PWs) bands (ev): -41.9817 -41.9817 -41.9817 -41.9817 -11.1692 -11.1692 -10.9568 -10.9568 -10.7210 -10.7210 -10.6729 -10.6729 -0.5821 -0.5821 -0.2121 -0.2121 0.0574 0.0574 0.4860 0.4860 0.5572 0.5572 0.7861 0.7861 1.1399 1.1399 1.2305 1.2305 1.5987 1.5987 1.6832 1.6832 1.9072 1.9072 2.2017 2.2017 3.9834 3.9834 4.1172 4.1172 4.2038 4.2038 4.8369 4.8369 5.0552 5.0552 9.0253 9.0253 9.2309 9.2309 k = 0.0000 0.5303 0.2710 ( 19268 PWs) bands (ev): -41.9817 -41.9817 -41.9817 -41.9817 -11.1593 -11.1593 -10.9500 -10.9500 -10.7175 -10.7175 -10.6705 -10.6705 -0.5673 -0.5673 -0.2017 -0.2017 0.0617 0.0617 0.4570 0.4570 0.5197 0.5197 0.7529 0.7529 1.1453 1.1453 1.2138 1.2138 1.5781 1.5781 1.6441 1.6441 1.8886 1.8886 2.1816 2.1816 4.0017 4.0017 4.1149 4.1149 4.2007 4.2007 4.8204 4.8204 5.0536 5.0536 9.0747 9.0747 9.3142 9.3142 k = 0.0000 0.5303 0.2919 ( 19258 PWs) bands (ev): -41.9817 -41.9817 -41.9817 -41.9817 -11.1488 -11.1488 -10.9428 -10.9428 -10.7139 -10.7139 -10.6681 -10.6681 -0.5522 -0.5522 -0.1916 -0.1916 0.0655 0.0655 0.4269 0.4269 0.4793 0.4793 0.7180 0.7180 1.1507 1.1507 1.2002 1.2002 1.5506 1.5506 1.6098 1.6098 1.8706 1.8706 2.1610 2.1610 4.0187 4.0187 4.1125 4.1125 4.1978 4.1978 4.8057 4.8057 5.0519 5.0519 9.1205 9.1205 9.3983 9.3983 k = 0.0000 0.5303 0.3127 ( 19266 PWs) bands (ev): -41.9817 -41.9817 -41.9817 -41.9817 -11.1377 -11.1377 -10.9351 -10.9351 -10.7102 -10.7102 -10.6656 -10.6656 -0.5370 -0.5370 -0.1821 -0.1821 0.0685 0.0685 0.3959 0.3959 0.4370 0.4370 0.6821 0.6821 1.1556 1.1556 1.1901 1.1901 1.5143 1.5143 1.5835 1.5835 1.8526 1.8526 2.1397 2.1397 4.0342 4.0342 4.1102 4.1102 4.1951 4.1951 4.7929 4.7929 5.0501 5.0501 9.1613 9.1613 9.4822 9.4822 k = 0.0000 0.5303 0.3336 ( 19260 PWs) bands (ev): -41.9817 -41.9817 -41.9817 -41.9817 -11.1261 -11.1261 -10.9272 -10.9272 -10.7063 -10.7063 -10.6632 -10.6632 -0.5222 -0.5222 -0.1735 -0.1735 0.0704 0.0704 0.3643 0.3643 0.3937 0.3937 0.6459 0.6459 1.1591 1.1591 1.1839 1.1839 1.4727 1.4727 1.5628 1.5628 1.8347 1.8347 2.1176 2.1176 4.0479 4.0479 4.1078 4.1078 4.1928 4.1928 4.7823 4.7823 5.0483 5.0483 9.1956 9.1956 9.5646 9.5646 k = 0.0000 0.5303 0.3544 ( 19244 PWs) bands (ev): -41.9817 -41.9817 -41.9816 -41.9816 -11.1139 -11.1139 -10.9189 -10.9189 -10.7024 -10.7024 -10.6608 -10.6608 -0.5082 -0.5082 -0.1666 -0.1666 0.0710 0.0710 0.3321 0.3321 0.3505 0.3505 0.6103 0.6103 1.1596 1.1596 1.1826 1.1826 1.4299 1.4299 1.5444 1.5444 1.8165 1.8165 2.0948 2.0948 4.0597 4.0597 4.1055 4.1055 4.1911 4.1911 4.7740 4.7740 5.0463 5.0463 9.2224 9.2224 9.6440 9.6440 k = 0.0000 0.5303 0.3752 ( 19242 PWs) bands (ev): -41.9816 -41.9816 -41.9816 -41.9816 -11.1013 -11.1013 -10.9103 -10.9103 -10.6984 -10.6984 -10.6585 -10.6585 -0.4955 -0.4955 -0.1618 -0.1618 0.0697 0.0697 0.2996 0.2996 0.3088 0.3088 0.5764 0.5764 1.1573 1.1573 1.1850 1.1850 1.3889 1.3889 1.5270 1.5270 1.7979 1.7979 2.0712 2.0712 4.0693 4.0693 4.1032 4.1032 4.1901 4.1901 4.7680 4.7680 5.0442 5.0442 9.2409 9.2409 9.7184 9.7184 k = 0.0000 0.5303 0.3961 ( 19260 PWs) bands (ev): -41.9816 -41.9816 -41.9816 -41.9816 -11.0882 -11.0882 -10.9015 -10.9015 -10.6945 -10.6945 -10.6563 -10.6563 -0.4849 -0.4849 -0.1597 -0.1597 0.0661 0.0661 0.2663 0.2663 0.2707 0.2707 0.5453 0.5453 1.1537 1.1537 1.1886 1.1886 1.3516 1.3516 1.5099 1.5099 1.7788 1.7788 2.0470 2.0470 4.0764 4.0764 4.1013 4.1013 4.1898 4.1898 4.7644 4.7644 5.0421 5.0421 9.2508 9.2508 9.7853 9.7853 k = 0.0000 0.5303 0.4169 ( 19252 PWs) bands (ev): -41.9816 -41.9816 -41.9816 -41.9816 -11.0747 -11.0747 -10.8925 -10.8925 -10.6905 -10.6905 -10.6543 -10.6543 -0.4772 -0.4772 -0.1609 -0.1609 0.0592 0.0592 0.2308 0.2308 0.2393 0.2393 0.5181 0.5181 1.1489 1.1489 1.1914 1.1914 1.3203 1.3203 1.4928 1.4928 1.7592 1.7592 2.0220 2.0220 4.0805 4.0805 4.1003 4.1003 4.1903 4.1903 4.7630 4.7630 5.0400 5.0400 9.2525 9.2525 9.8410 9.8410 k = 0.0000 0.5303 0.4378 ( 19248 PWs) bands (ev): -41.9816 -41.9816 -41.9816 -41.9816 -11.0609 -11.0609 -10.8834 -10.8834 -10.6866 -10.6866 -10.6524 -10.6524 -0.4732 -0.4732 -0.1657 -0.1657 0.0481 0.0481 0.1956 0.1956 0.2142 0.2142 0.4957 0.4957 1.1419 1.1419 1.1923 1.1923 1.2973 1.2973 1.4757 1.4757 1.7390 1.7390 1.9965 1.9965 4.0813 4.0813 4.1006 4.1006 4.1914 4.1914 4.7639 4.7639 5.0379 5.0379 9.2464 9.2464 9.8796 9.8796 k = 0.0000 0.5303 0.4586 ( 19244 PWs) bands (ev): -41.9816 -41.9816 -41.9816 -41.9816 -11.0469 -11.0469 -10.8741 -10.8741 -10.6827 -10.6827 -10.6508 -10.6508 -0.4737 -0.4737 -0.1742 -0.1742 0.0321 0.0321 0.1607 0.1607 0.1968 0.1968 0.4792 0.4792 1.1316 1.1316 1.1913 1.1913 1.2838 1.2838 1.4585 1.4585 1.7183 1.7183 1.9704 1.9704 4.0795 4.0795 4.1020 4.1020 4.1928 4.1928 4.7669 4.7669 5.0358 5.0358 9.2336 9.2336 9.8929 9.8929 k = 0.0000 0.5303 0.4795 ( 19248 PWs) bands (ev): -41.9816 -41.9816 -41.9816 -41.9816 -11.0326 -11.0326 -10.8647 -10.8647 -10.6790 -10.6790 -10.6494 -10.6494 -0.4794 -0.4794 -0.1861 -0.1861 0.0117 0.0117 0.1259 0.1259 0.1878 0.1878 0.4688 0.4688 1.1175 1.1175 1.1897 1.1897 1.2786 1.2786 1.4413 1.4413 1.6971 1.6971 1.9439 1.9439 4.0761 4.0761 4.1035 4.1035 4.1944 4.1944 4.7717 4.7717 5.0337 5.0337 9.2152 9.2152 9.8771 9.8771 k = 0.0000 0.5303 0.5003 ( 19256 PWs) bands (ev): -41.9816 -41.9816 -41.9815 -41.9815 -11.0182 -11.0182 -10.8554 -10.8554 -10.6753 -10.6753 -10.6483 -10.6483 -0.4906 -0.4906 -0.2011 -0.2011 -0.0118 -0.0118 0.0910 0.0910 0.1865 0.1865 0.4647 0.4647 1.1011 1.1011 1.1886 1.1886 1.2789 1.2789 1.4244 1.4244 1.6755 1.6755 1.9170 1.9170 4.0718 4.0718 4.1049 4.1049 4.1960 4.1960 4.7783 4.7783 5.0317 5.0317 9.1923 9.1923 9.8408 9.8408 k = 0.0000 0.5303 0.5212 ( 19254 PWs) bands (ev): -41.9815 -41.9815 -41.9815 -41.9815 -11.0036 -11.0036 -10.8460 -10.8460 -10.6719 -10.6719 -10.6475 -10.6475 -0.5071 -0.5071 -0.2186 -0.2186 -0.0370 -0.0370 0.0564 0.0564 0.1915 0.1915 0.4666 0.4666 1.0842 1.0842 1.1883 1.1883 1.2819 1.2819 1.4079 1.4079 1.6536 1.6536 1.8900 1.8900 4.0671 4.0671 4.1059 4.1059 4.1973 4.1973 4.7864 4.7864 5.0299 5.0299 9.1661 9.1661 9.7950 9.7950 k = 0.0000 0.5303 0.5420 ( 19244 PWs) bands (ev): -41.9815 -41.9815 -41.9815 -41.9815 -10.9891 -10.9891 -10.8368 -10.8368 -10.6686 -10.6686 -10.6471 -10.6471 -0.5282 -0.5282 -0.2385 -0.2385 -0.0628 -0.0628 0.0224 0.0224 0.2020 0.2020 0.4739 0.4739 1.0678 1.0678 1.1886 1.1886 1.2855 1.2855 1.3926 1.3926 1.6316 1.6316 1.8628 1.8628 4.0621 4.0621 4.1066 4.1066 4.1983 4.1983 4.7958 4.7958 5.0281 5.0281 9.1377 9.1377 9.7462 9.7462 k = 0.0000 0.5303 0.5629 ( 19240 PWs) bands (ev): -41.9815 -41.9815 -41.9815 -41.9815 -10.9745 -10.9745 -10.8276 -10.8276 -10.6655 -10.6655 -10.6470 -10.6470 -0.5529 -0.5529 -0.2603 -0.2603 -0.0886 -0.0886 -0.0108 -0.0108 0.2174 0.2174 0.4862 0.4862 1.0526 1.0526 1.1890 1.1890 1.2880 1.2880 1.3795 1.3795 1.6097 1.6097 1.8356 1.8356 4.0570 4.0570 4.1071 4.1071 4.1989 4.1989 4.8063 4.8063 5.0265 5.0265 9.1079 9.1079 9.6974 9.6974 k = 0.0000 0.5303 0.5837 ( 19230 PWs) bands (ev): -41.9815 -41.9815 -41.9815 -41.9815 -10.9601 -10.9601 -10.8186 -10.8186 -10.6627 -10.6627 -10.6472 -10.6472 -0.5800 -0.5800 -0.2837 -0.2837 -0.1142 -0.1142 -0.0429 -0.0429 0.2369 0.2369 0.5025 0.5025 1.0386 1.0386 1.1891 1.1891 1.2874 1.2874 1.3702 1.3702 1.5881 1.5881 1.8085 1.8085 4.0518 4.0518 4.1074 4.1074 4.1990 4.1990 4.8176 4.8176 5.0250 5.0250 9.0776 9.0776 9.6499 9.6499 k = 0.0000 0.5303 0.6046 ( 19234 PWs) bands (ev): -41.9815 -41.9815 -41.9815 -41.9815 -10.9458 -10.9458 -10.8098 -10.8098 -10.6601 -10.6601 -10.6479 -10.6479 -0.6086 -0.6086 -0.3082 -0.3082 -0.1392 -0.1392 -0.0735 -0.0735 0.2602 0.2602 0.5224 0.5224 1.0255 1.0255 1.1886 1.1886 1.2823 1.2823 1.3659 1.3659 1.5672 1.5672 1.7816 1.7816 4.0467 4.0467 4.1075 4.1075 4.1988 4.1988 4.8295 4.8295 5.0237 5.0237 9.0476 9.0476 9.6046 9.6046 k = 0.0000 0.5303 0.6254 ( 19246 PWs) bands (ev): -41.9815 -41.9815 -41.9814 -41.9814 -10.9318 -10.9318 -10.8013 -10.8013 -10.6578 -10.6578 -10.6489 -10.6489 -0.6377 -0.6377 -0.3332 -0.3332 -0.1637 -0.1637 -0.1026 -0.1026 0.2867 0.2867 0.5451 0.5451 1.0126 1.0126 1.1870 1.1870 1.2730 1.2730 1.3667 1.3667 1.5472 1.5472 1.7551 1.7551 4.0417 4.0417 4.1074 4.1074 4.1982 4.1982 4.8417 4.8417 5.0225 5.0225 9.0184 9.0184 9.5619 9.5619 k = 0.0000 0.5303 0.6463 ( 19260 PWs) bands (ev): -41.9815 -41.9815 -41.9814 -41.9814 -10.9182 -10.9182 -10.7932 -10.7932 -10.6557 -10.6557 -10.6503 -10.6503 -0.6665 -0.6665 -0.3581 -0.3581 -0.1874 -0.1874 -0.1298 -0.1298 0.3160 0.3160 0.5702 0.5702 0.9994 0.9994 1.1836 1.1836 1.2616 1.2616 1.3711 1.3711 1.5284 1.5284 1.7292 1.7292 4.0369 4.0369 4.1071 4.1071 4.1974 4.1974 4.8540 4.8540 5.0215 5.0215 8.9904 8.9904 9.5221 9.5221 k = 0.0000 0.5303 0.6671 ( 19254 PWs) bands (ev): -41.9814 -41.9814 -41.9814 -41.9814 -10.9049 -10.9049 -10.7854 -10.7854 -10.6539 -10.6539 -10.6521 -10.6521 -0.6943 -0.6943 -0.3824 -0.3824 -0.2102 -0.2102 -0.1551 -0.1551 0.3475 0.3475 0.5972 0.5972 0.9853 0.9853 1.1773 1.1773 1.2503 1.2503 1.3776 1.3776 1.5111 1.5111 1.7039 1.7039 4.0323 4.0323 4.1066 4.1066 4.1963 4.1963 4.8662 4.8662 5.0206 5.0206 8.9642 8.9642 9.4854 9.4854 k = 0.0000 0.5303 0.6880 ( 19250 PWs) bands (ev): -41.9814 -41.9814 -41.9814 -41.9814 -10.8922 -10.8922 -10.7781 -10.7781 -10.6542 -10.6542 -10.6523 -10.6523 -0.7205 -0.7205 -0.4056 -0.4056 -0.2319 -0.2319 -0.1781 -0.1781 0.3809 0.3809 0.6256 0.6256 0.9697 0.9697 1.1671 1.1671 1.2411 1.2411 1.3852 1.3852 1.4958 1.4958 1.6794 1.6794 4.0280 4.0280 4.1060 4.1060 4.1952 4.1952 4.8780 4.8780 5.0199 5.0199 8.9399 8.9399 9.4520 9.4520 k = 0.0000 0.5303 0.7088 ( 19252 PWs) bands (ev): -41.9814 -41.9814 -41.9814 -41.9814 -10.8802 -10.8802 -10.7713 -10.7713 -10.6566 -10.6566 -10.6511 -10.6511 -0.7449 -0.7449 -0.4273 -0.4273 -0.2522 -0.2522 -0.1989 -0.1989 0.4158 0.4158 0.6551 0.6551 0.9520 0.9520 1.1528 1.1528 1.2348 1.2348 1.3931 1.3931 1.4828 1.4828 1.6558 1.6558 4.0240 4.0240 4.1053 4.1053 4.1940 4.1940 4.8892 4.8892 5.0193 5.0193 8.9178 8.9178 9.4220 9.4220 k = 0.0000 0.5303 0.7297 ( 19254 PWs) bands (ev): -41.9814 -41.9814 -41.9814 -41.9814 -10.8689 -10.8689 -10.7651 -10.7651 -10.6591 -10.6591 -10.6501 -10.6501 -0.7670 -0.7670 -0.4471 -0.4471 -0.2709 -0.2709 -0.2174 -0.2174 0.4518 0.4518 0.6853 0.6853 0.9319 0.9319 1.1348 1.1348 1.2312 1.2312 1.4009 1.4009 1.4725 1.4725 1.6333 1.6333 4.0204 4.0204 4.1045 4.1045 4.1929 4.1929 4.8997 4.8997 5.0188 5.0188 8.8982 8.8982 9.3955 9.3955 k = 0.0000 0.5303 0.7505 ( 19256 PWs) bands (ev): -41.9814 -41.9814 -41.9814 -41.9814 -10.8586 -10.8586 -10.7595 -10.7595 -10.6618 -10.6618 -10.6493 -10.6493 -0.7867 -0.7867 -0.4648 -0.4648 -0.2877 -0.2877 -0.2334 -0.2334 0.4885 0.4885 0.7158 0.7158 0.9095 0.9095 1.1142 1.1142 1.2295 1.2295 1.4077 1.4077 1.4655 1.4655 1.6119 1.6119 4.0172 4.0172 4.1036 4.1036 4.1918 4.1918 4.9091 4.9091 5.0185 5.0185 8.8810 8.8810 9.3724 9.3724 k = 0.0000 0.5303 0.7713 ( 19250 PWs) bands (ev): -41.9814 -41.9814 -41.9814 -41.9814 -10.8493 -10.8493 -10.7546 -10.7546 -10.6645 -10.6645 -10.6487 -10.6487 -0.8036 -0.8036 -0.4801 -0.4801 -0.3023 -0.3023 -0.2470 -0.2470 0.5257 0.5257 0.7460 0.7460 0.8846 0.8846 1.0920 1.0920 1.2289 1.2289 1.4126 1.4126 1.4626 1.4626 1.5917 1.5917 4.0144 4.0144 4.1027 4.1027 4.1908 4.1908 4.9174 4.9174 5.0182 5.0182 8.8664 8.8664 9.3529 9.3529 k = 0.0000 0.5303 0.7922 ( 19234 PWs) bands (ev): -41.9814 -41.9814 -41.9814 -41.9814 -10.8414 -10.8414 -10.7505 -10.7505 -10.6671 -10.6671 -10.6483 -10.6483 -0.8176 -0.8176 -0.4929 -0.4929 -0.3146 -0.3146 -0.2582 -0.2582 0.5627 0.5627 0.7754 0.7754 0.8577 0.8577 1.0689 1.0689 1.2290 1.2290 1.4150 1.4150 1.4644 1.4644 1.5729 1.5729 4.0121 4.0121 4.1019 4.1019 4.1900 4.1900 4.9244 4.9244 5.0180 5.0180 8.8544 8.8544 9.3370 9.3370 k = 0.0000 0.5303 0.8130 ( 19220 PWs) bands (ev): -41.9814 -41.9814 -41.9814 -41.9814 -10.8349 -10.8349 -10.7472 -10.7472 -10.6693 -10.6693 -10.6481 -10.6481 -0.8287 -0.8287 -0.5030 -0.5030 -0.3243 -0.3243 -0.2669 -0.2669 0.5991 0.5991 0.8023 0.8023 0.8301 0.8301 1.0461 1.0461 1.2295 1.2295 1.4152 1.4152 1.4703 1.4703 1.5555 1.5555 4.0103 4.0103 4.1013 4.1013 4.1894 4.1894 4.9300 4.9300 5.0179 5.0179 8.8451 8.8451 9.3246 9.3246 k = 0.0000 0.5303 0.8339 ( 19222 PWs) bands (ev): -41.9814 -41.9814 -41.9814 -41.9814 -10.8300 -10.8300 -10.7448 -10.7448 -10.6711 -10.6711 -10.6479 -10.6479 -0.8366 -0.8366 -0.5102 -0.5102 -0.3314 -0.3314 -0.2732 -0.2732 0.6337 0.6337 0.7984 0.7984 0.8292 0.8292 1.0253 1.0253 1.2300 1.2300 1.4146 1.4146 1.4786 1.4786 1.5398 1.5398 4.0090 4.0090 4.1007 4.1007 4.1889 4.1889 4.9340 4.9340 5.0179 5.0179 8.8385 8.8385 9.3157 9.3157 k = 0.0000 0.5303 0.8547 ( 19214 PWs) bands (ev): -41.9814 -41.9814 -41.9814 -41.9814 -10.8270 -10.8270 -10.7433 -10.7433 -10.6722 -10.6722 -10.6478 -10.6478 -0.8414 -0.8414 -0.5146 -0.5146 -0.3356 -0.3356 -0.2769 -0.2769 0.6633 0.6633 0.7728 0.7728 0.8464 0.8464 1.0096 1.0096 1.2303 1.2303 1.4139 1.4139 1.4875 1.4875 1.5268 1.5268 4.0082 4.0082 4.1004 4.1004 4.1887 4.1887 4.9365 4.9365 5.0178 5.0178 8.8345 8.8345 9.3104 9.3104 k = 0.0000 0.5303 0.8756 ( 19208 PWs) bands (ev): -41.9814 -41.9814 -41.9814 -41.9814 -10.8260 -10.8260 -10.7429 -10.7429 -10.6726 -10.6726 -10.6478 -10.6478 -0.8430 -0.8430 -0.5161 -0.5161 -0.3371 -0.3371 -0.2782 -0.2782 0.6773 0.6773 0.7599 0.7599 0.8531 0.8531 1.0035 1.0035 1.2305 1.2305 1.4136 1.4136 1.4923 1.4923 1.5206 1.5206 4.0079 4.0079 4.1003 4.1003 4.1886 4.1886 4.9373 4.9373 5.0178 5.0178 8.8331 8.8331 9.3086 9.3086 k = 0.0000 0.5303 0.8756 ( 19208 PWs) bands (ev): -41.9814 -41.9814 -41.9814 -41.9814 -10.8260 -10.8260 -10.7429 -10.7429 -10.6726 -10.6726 -10.6478 -10.6478 -0.8430 -0.8430 -0.5161 -0.5161 -0.3371 -0.3371 -0.2782 -0.2782 0.6773 0.6773 0.7599 0.7599 0.8531 0.8531 1.0035 1.0035 1.2305 1.2305 1.4136 1.4136 1.4923 1.4923 1.5206 1.5206 4.0079 4.0079 4.1003 4.1003 4.1886 4.1886 4.9373 4.9373 5.0178 5.0178 8.8331 8.8331 9.3086 9.3086 k = 0.0208 0.5303 0.8756 ( 19218 PWs) bands (ev): -41.9814 -41.9814 -41.9814 -41.9814 -10.8262 -10.8262 -10.7427 -10.7427 -10.6729 -10.6729 -10.6475 -10.6475 -0.8443 -0.8443 -0.5177 -0.5177 -0.3377 -0.3377 -0.2796 -0.2796 0.6799 0.6799 0.7605 0.7605 0.8555 0.8555 1.0049 1.0049 1.2309 1.2309 1.4095 1.4095 1.4907 1.4907 1.5268 1.5268 4.0078 4.0078 4.1002 4.1002 4.1884 4.1884 4.9375 4.9375 5.0184 5.0184 8.8283 8.8283 9.3048 9.3048 k = 0.0417 0.5303 0.8756 ( 19226 PWs) bands (ev): -41.9814 -41.9814 -41.9814 -41.9814 -10.8265 -10.8265 -10.7423 -10.7423 -10.6738 -10.6738 -10.6466 -10.6466 -0.8481 -0.8481 -0.5226 -0.5226 -0.3395 -0.3395 -0.2840 -0.2840 0.6874 0.6874 0.7624 0.7624 0.8625 0.8625 1.0092 1.0092 1.2323 1.2323 1.3987 1.3987 1.4876 1.4876 1.5420 1.5420 4.0076 4.0076 4.0998 4.0998 4.1881 4.1881 4.9383 4.9383 5.0203 5.0203 8.8141 8.8141 9.2940 9.2940 k = 0.0625 0.5303 0.8756 ( 19242 PWs) bands (ev): -41.9814 -41.9814 -41.9814 -41.9814 -10.8271 -10.8271 -10.7417 -10.7417 -10.6751 -10.6751 -10.6452 -10.6452 -0.8543 -0.8543 -0.5305 -0.5305 -0.3427 -0.3427 -0.2912 -0.2912 0.6995 0.6995 0.7660 0.7660 0.8735 0.8735 1.0162 1.0162 1.2347 1.2347 1.3846 1.3846 1.4840 1.4840 1.5620 1.5620 4.0073 4.0073 4.0993 4.0993 4.1874 4.1874 4.9395 4.9395 5.0233 5.0233 8.7914 8.7914 9.2781 9.2781 k = 0.0833 0.5303 0.8756 ( 19258 PWs) bands (ev): -41.9814 -41.9814 -41.9813 -41.9813 -10.8280 -10.8280 -10.7408 -10.7408 -10.6767 -10.6767 -10.6435 -10.6435 -0.8626 -0.8626 -0.5408 -0.5408 -0.3474 -0.3474 -0.3008 -0.3008 0.7159 0.7159 0.7720 0.7720 0.8877 0.8877 1.0256 1.0256 1.2380 1.2380 1.3692 1.3692 1.4798 1.4798 1.5849 1.5849 4.0069 4.0069 4.0985 4.0985 4.1865 4.1865 4.9413 4.9413 5.0274 5.0274 8.7611 8.7611 9.2585 9.2585 k = 0.1042 0.5303 0.8756 ( 19264 PWs) bands (ev): -41.9814 -41.9814 -41.9813 -41.9813 -10.8290 -10.8290 -10.7396 -10.7396 -10.6786 -10.6786 -10.6414 -10.6414 -0.8729 -0.8729 -0.5533 -0.5533 -0.3536 -0.3536 -0.3127 -0.3127 0.7356 0.7356 0.7807 0.7807 0.9043 0.9043 1.0372 1.0372 1.2423 1.2423 1.3538 1.3538 1.4751 1.4751 1.6094 1.6094 4.0064 4.0064 4.0974 4.0974 4.1854 4.1854 4.9435 4.9435 5.0327 5.0327 8.7247 8.7247 9.2361 9.2361 k = 0.1250 0.5303 0.8756 ( 19256 PWs) bands (ev): -41.9814 -41.9814 -41.9813 -41.9813 -10.8302 -10.8302 -10.7383 -10.7383 -10.6808 -10.6808 -10.6391 -10.6391 -0.8849 -0.8849 -0.5673 -0.5673 -0.3614 -0.3614 -0.3264 -0.3264 0.7575 0.7575 0.7928 0.7928 0.9227 0.9227 1.0506 1.0506 1.2473 1.2473 1.3392 1.3392 1.4698 1.4698 1.6351 1.6351 4.0058 4.0058 4.0962 4.0962 4.1842 4.1842 4.9463 4.9463 5.0389 5.0389 8.6834 8.6834 9.2114 9.2114 k = 0.1459 0.5303 0.8756 ( 19268 PWs) bands (ev): -41.9814 -41.9814 -41.9813 -41.9813 -10.8315 -10.8315 -10.7368 -10.7368 -10.6830 -10.6830 -10.6367 -10.6367 -0.8981 -0.8981 -0.5825 -0.5825 -0.3706 -0.3706 -0.3416 -0.3416 0.7795 0.7795 0.8096 0.8096 0.9422 0.9422 1.0654 1.0654 1.2530 1.2530 1.3260 1.3260 1.4642 1.4642 1.6615 1.6615 4.0051 4.0051 4.0947 4.0947 4.1828 4.1828 4.9496 4.9496 5.0460 5.0460 8.6383 8.6383 9.1848 9.1848 k = 0.1667 0.5303 0.8756 ( 19260 PWs) bands (ev): -41.9814 -41.9814 -41.9813 -41.9813 -10.8330 -10.8330 -10.7352 -10.7352 -10.6854 -10.6854 -10.6341 -10.6341 -0.9123 -0.9123 -0.5984 -0.5984 -0.3813 -0.3813 -0.3579 -0.3579 0.7997 0.7997 0.8320 0.8320 0.9624 0.9624 1.0810 1.0810 1.2586 1.2586 1.3151 1.3151 1.4586 1.4586 1.6882 1.6882 4.0043 4.0043 4.0929 4.0929 4.1812 4.1812 4.9533 4.9533 5.0539 5.0539 8.5908 8.5908 9.1567 9.1567 k = 0.1875 0.5303 0.8756 ( 19280 PWs) bands (ev): -41.9814 -41.9814 -41.9813 -41.9813 -10.8346 -10.8346 -10.7334 -10.7334 -10.6878 -10.6878 -10.6314 -10.6314 -0.9271 -0.9271 -0.6146 -0.6146 -0.3931 -0.3931 -0.3749 -0.3749 0.8181 0.8181 0.8587 0.8587 0.9829 0.9829 1.0972 1.0972 1.2630 1.2630 1.3078 1.3078 1.4536 1.4536 1.7149 1.7149 4.0035 4.0035 4.0909 4.0909 4.1796 4.1796 4.9576 4.9576 5.0624 5.0624 8.5416 8.5416 9.1273 9.1273 k = 0.2084 0.5303 0.8756 ( 19286 PWs) bands (ev): -41.9815 -41.9815 -41.9813 -41.9813 -10.8363 -10.8363 -10.7316 -10.7316 -10.6904 -10.6904 -10.6287 -10.6287 -0.9423 -0.9423 -0.6308 -0.6308 -0.4058 -0.4058 -0.3924 -0.3924 0.8357 0.8357 0.8873 0.8873 1.0032 1.0032 1.1135 1.1135 1.2643 1.2643 1.3057 1.3057 1.4497 1.4497 1.7412 1.7412 4.0027 4.0027 4.0887 4.0887 4.1780 4.1780 4.9624 4.9624 5.0713 5.0713 8.4917 8.4917 9.0969 9.0969 k = 0.2292 0.5303 0.8756 ( 19278 PWs) bands (ev): -41.9815 -41.9815 -41.9813 -41.9813 -10.8380 -10.8380 -10.7297 -10.7297 -10.6930 -10.6930 -10.6258 -10.6258 -0.9575 -0.9575 -0.6467 -0.6467 -0.4193 -0.4193 -0.4099 -0.4099 0.8528 0.8528 0.9161 0.9161 1.0230 1.0230 1.1296 1.1296 1.2623 1.2623 1.3087 1.3087 1.4480 1.4480 1.7670 1.7670 4.0018 4.0018 4.0863 4.0863 4.1764 4.1764 4.9677 4.9677 5.0806 5.0806 8.4419 8.4419 9.0659 9.0659 k = 0.2500 0.5303 0.8756 ( 19276 PWs) bands (ev): -41.9815 -41.9815 -41.9813 -41.9813 -10.8397 -10.8397 -10.7277 -10.7277 -10.6956 -10.6956 -10.6229 -10.6229 -0.9723 -0.9723 -0.6620 -0.6620 -0.4332 -0.4332 -0.4272 -0.4272 0.8693 0.8693 0.9436 0.9436 1.0421 1.0421 1.1453 1.1453 1.2592 1.2592 1.3140 1.3140 1.4496 1.4496 1.7918 1.7918 4.0010 4.0010 4.0837 4.0837 4.1749 4.1749 4.9735 4.9735 5.0900 5.0900 8.3928 8.3928 9.0345 9.0345 k = 0.2709 0.5303 0.8756 ( 19274 PWs) bands (ev): -41.9815 -41.9815 -41.9813 -41.9813 -10.8415 -10.8415 -10.7258 -10.7258 -10.6983 -10.6983 -10.6199 -10.6199 -0.9867 -0.9867 -0.6766 -0.6766 -0.4477 -0.4477 -0.4436 -0.4436 0.8846 0.8846 0.9688 0.9688 1.0603 1.0603 1.1604 1.1604 1.2568 1.2568 1.3191 1.3191 1.4558 1.4558 1.8153 1.8153 4.0003 4.0003 4.0810 4.0810 4.1734 4.1734 4.9797 4.9797 5.0992 5.0992 8.3453 8.3453 9.0033 9.0033 k = 0.2917 0.5303 0.8756 ( 19260 PWs) bands (ev): -41.9815 -41.9815 -41.9813 -41.9813 -10.8433 -10.8433 -10.7238 -10.7238 -10.7011 -10.7011 -10.6169 -10.6169 -1.0002 -1.0002 -0.6901 -0.6901 -0.4630 -0.4630 -0.4585 -0.4585 0.8983 0.8983 0.9908 0.9908 1.0774 1.0774 1.1745 1.1745 1.2560 1.2560 1.3228 1.3228 1.4671 1.4671 1.8372 1.8372 3.9996 3.9996 4.0783 4.0783 4.1720 4.1720 4.9864 4.9864 5.1082 5.1082 8.2998 8.2998 8.9726 8.9726 k = 0.3125 0.5303 0.8756 ( 19256 PWs) bands (ev): -41.9815 -41.9815 -41.9813 -41.9813 -10.8451 -10.8451 -10.7218 -10.7218 -10.7039 -10.7039 -10.6139 -10.6139 -1.0128 -1.0128 -0.7025 -0.7025 -0.4783 -0.4783 -0.4721 -0.4721 0.9101 0.9101 1.0088 1.0088 1.0932 1.0932 1.1873 1.1873 1.2573 1.2573 1.3251 1.3251 1.4835 1.4835 1.8571 1.8571 3.9990 3.9990 4.0756 4.0756 4.1708 4.1708 4.9935 4.9935 5.1167 5.1167 8.2570 8.2570 8.9429 8.9429 k = 0.3334 0.5303 0.8756 ( 19258 PWs) bands (ev): -41.9815 -41.9815 -41.9813 -41.9813 -10.8469 -10.8469 -10.7198 -10.7198 -10.7067 -10.7067 -10.6108 -10.6108 -1.0242 -1.0242 -0.7136 -0.7136 -0.4930 -0.4930 -0.4847 -0.4847 0.9195 0.9195 1.0225 1.0225 1.1077 1.1077 1.1984 1.1984 1.2606 1.2606 1.3268 1.3268 1.5042 1.5042 1.8748 1.8748 3.9986 3.9986 4.0730 4.0730 4.1697 4.1697 5.0009 5.0009 5.1245 5.1245 8.2174 8.2174 8.9145 8.9145 k = 0.3542 0.5303 0.8756 ( 19252 PWs) bands (ev): -41.9815 -41.9815 -41.9813 -41.9813 -10.8486 -10.8486 -10.7179 -10.7179 -10.7095 -10.7095 -10.6077 -10.6077 -1.0343 -1.0343 -0.7232 -0.7232 -0.5066 -0.5066 -0.4964 -0.4964 0.9265 0.9265 1.0316 1.0316 1.1208 1.1208 1.2077 1.2077 1.2649 1.2649 1.3288 1.3288 1.5284 1.5284 1.8899 1.8899 3.9983 3.9983 4.0706 4.0706 4.1688 4.1688 5.0086 5.0086 5.1313 5.1313 8.1815 8.1815 8.8593 8.8593 k = 0.3750 0.5303 0.8756 ( 19260 PWs) bands (ev): -41.9815 -41.9815 -41.9813 -41.9813 -10.8503 -10.8503 -10.7161 -10.7161 -10.7123 -10.7123 -10.6046 -10.6046 -1.0430 -1.0430 -0.7313 -0.7313 -0.5191 -0.5191 -0.5070 -0.5070 0.9311 0.9311 1.0363 1.0363 1.1324 1.1324 1.2157 1.2157 1.2695 1.2695 1.3317 1.3317 1.5550 1.5550 1.9023 1.9023 3.9982 3.9982 4.0685 4.0685 4.1681 4.1681 5.0166 5.0166 5.1370 5.1370 8.1498 8.1498 8.8004 8.8004 k = 0.3750 0.5303 0.8756 ( 19260 PWs) bands (ev): -41.9815 -41.9815 -41.9813 -41.9813 -10.8503 -10.8503 -10.7161 -10.7161 -10.7123 -10.7123 -10.6046 -10.6046 -1.0430 -1.0430 -0.7313 -0.7313 -0.5191 -0.5191 -0.5070 -0.5070 0.9311 0.9311 1.0363 1.0363 1.1324 1.1324 1.2157 1.2157 1.2695 1.2695 1.3317 1.3317 1.5550 1.5550 1.9023 1.9023 3.9982 3.9982 4.0685 4.0685 4.1681 4.1681 5.0166 5.0166 5.1370 5.1370 8.1498 8.1498 8.8004 8.8004 k = 0.3629 0.5132 0.8756 ( 19260 PWs) bands (ev): -41.9815 -41.9815 -41.9813 -41.9813 -10.8473 -10.8473 -10.7193 -10.7193 -10.7072 -10.7072 -10.6102 -10.6102 -1.0287 -1.0287 -0.7180 -0.7180 -0.4980 -0.4980 -0.4890 -0.4890 0.9248 0.9248 1.0315 1.0315 1.1122 1.1122 1.2016 1.2016 1.2631 1.2631 1.3256 1.3256 1.5068 1.5068 1.8828 1.8828 3.9983 3.9983 4.0720 4.0720 4.1693 4.1693 5.0028 5.0028 5.1278 5.1278 8.2031 8.2031 8.9010 8.9011 k = 0.3508 0.4961 0.8756 ( 19256 PWs) bands (ev): -41.9815 -41.9815 -41.9813 -41.9813 -10.8443 -10.8443 -10.7227 -10.7227 -10.7017 -10.7017 -10.6161 -10.6161 -1.0134 -1.0134 -0.7036 -0.7036 -0.4759 -0.4759 -0.4700 -0.4700 0.9175 0.9175 1.0252 1.0252 1.0900 1.0900 1.1846 1.1846 1.2587 1.2587 1.3192 1.3192 1.4593 1.4593 1.8622 1.8622 3.9986 3.9986 4.0755 4.0755 4.1708 4.1708 4.9896 4.9896 5.1178 5.1178 8.2602 8.2602 8.9482 8.9482 k = 0.3388 0.4790 0.8756 ( 19260 PWs) bands (ev): -41.9815 -41.9815 -41.9813 -41.9813 -10.8412 -10.8412 -10.7260 -10.7260 -10.6958 -10.6958 -10.6224 -10.6224 -0.9972 -0.9972 -0.6881 -0.6881 -0.4531 -0.4531 -0.4502 -0.4502 0.9093 0.9093 1.0157 1.0157 1.0676 1.0676 1.1639 1.1639 1.2561 1.2561 1.3120 1.3120 1.4154 1.4154 1.8406 1.8406 3.9990 3.9990 4.0792 4.0792 4.1724 4.1724 4.9774 4.9774 5.1072 5.1072 8.3207 8.3207 8.9944 8.9944 k = 0.3267 0.4619 0.8756 ( 19260 PWs) bands (ev): -41.9815 -41.9815 -41.9813 -41.9813 -10.8382 -10.8382 -10.7294 -10.7294 -10.6897 -10.6897 -10.6289 -10.6289 -0.9800 -0.9800 -0.6717 -0.6717 -0.4299 -0.4299 -0.4296 -0.4296 0.8999 0.8999 1.0002 1.0002 1.0480 1.0480 1.1384 1.1384 1.2551 1.2551 1.3023 1.3023 1.3794 1.3794 1.8178 1.8178 3.9995 3.9995 4.0828 4.0828 4.1743 4.1743 4.9663 4.9663 5.0958 5.0958 8.3840 8.3840 9.0438 9.0438 k = 0.3146 0.4448 0.8756 ( 19272 PWs) bands (ev): -41.9814 -41.9814 -41.9813 -41.9813 -10.8353 -10.8353 -10.7325 -10.7325 -10.6833 -10.6833 -10.6357 -10.6357 -0.9621 -0.9621 -0.6543 -0.6543 -0.4089 -0.4089 -0.4060 -0.4060 0.8889 0.8889 0.9775 0.9775 1.0307 1.0307 1.1092 1.1092 1.2552 1.2552 1.2875 1.2875 1.3565 1.3565 1.7940 1.7940 4.0002 4.0002 4.0864 4.0864 4.1764 4.1764 4.9566 4.9566 5.0838 5.0838 8.4499 8.4499 9.0962 9.0962 k = 0.3025 0.4277 0.8756 ( 19280 PWs) bands (ev): -41.9814 -41.9814 -41.9813 -41.9813 -10.8326 -10.8326 -10.7355 -10.7355 -10.6767 -10.6767 -10.6427 -10.6427 -0.9436 -0.9436 -0.6360 -0.6360 -0.3876 -0.3876 -0.3820 -0.3820 0.8756 0.8756 0.9506 0.9506 1.0087 1.0087 1.0812 1.0812 1.2552 1.2552 1.2681 1.2681 1.3479 1.3479 1.7690 1.7690 4.0011 4.0011 4.0898 4.0898 4.1788 4.1788 4.9484 4.9484 5.0712 5.0712 8.5178 8.5178 9.1518 9.1518 k = 0.2904 0.4106 0.8756 ( 19262 PWs) bands (ev): -41.9814 -41.9814 -41.9813 -41.9813 -10.8302 -10.8302 -10.7381 -10.7381 -10.6698 -10.6698 -10.6499 -10.6499 -0.9245 -0.9245 -0.6168 -0.6168 -0.3663 -0.3663 -0.3581 -0.3581 0.8585 0.8585 0.9236 0.9236 0.9736 0.9736 1.0620 1.0620 1.2437 1.2437 1.2593 1.2593 1.3498 1.3498 1.7430 1.7430 4.0020 4.0020 4.0932 4.0932 4.1814 4.1814 4.9419 4.9419 5.0581 5.0581 8.5870 8.5870 9.2102 9.2102 k = 0.2783 0.3934 0.8756 ( 19278 PWs) bands (ev): -41.9814 -41.9814 -41.9814 -41.9814 -10.8283 -10.8283 -10.7402 -10.7402 -10.6628 -10.6628 -10.6571 -10.6571 -0.9049 -0.9049 -0.5969 -0.5969 -0.3451 -0.3451 -0.3343 -0.3343 0.8356 0.8356 0.8990 0.8990 0.9276 0.9276 1.0509 1.0509 1.2236 1.2236 1.2598 1.2598 1.3589 1.3589 1.7160 1.7160 4.0031 4.0031 4.0964 4.0964 4.1842 4.1842 4.9372 4.9372 5.0444 5.0444 8.6569 8.6569 9.2715 9.2715 k = 0.2662 0.3763 0.8756 ( 19290 PWs) bands (ev): -41.9814 -41.9814 -41.9814 -41.9814 -10.8269 -10.8269 -10.7418 -10.7418 -10.6645 -10.6645 -10.6557 -10.6557 -0.8852 -0.8852 -0.5763 -0.5763 -0.3241 -0.3241 -0.3107 -0.3107 0.8063 0.8063 0.8684 0.8684 0.8863 0.8863 1.0435 1.0435 1.2038 1.2038 1.2609 1.2609 1.3740 1.3740 1.6880 1.6880 4.0043 4.0043 4.0993 4.0993 4.1872 4.1872 4.9342 4.9342 5.0303 5.0303 8.7268 8.7268 9.3355 9.3355 k = 0.2541 0.3592 0.8756 ( 19264 PWs) bands (ev): -41.9814 -41.9814 -41.9814 -41.9814 -10.8262 -10.8262 -10.7427 -10.7427 -10.6718 -10.6718 -10.6485 -10.6485 -0.8653 -0.8653 -0.5552 -0.5552 -0.3036 -0.3036 -0.2874 -0.2874 0.7710 0.7710 0.8174 0.8174 0.8679 0.8679 1.0375 1.0375 1.1846 1.1846 1.2623 1.2623 1.3941 1.3941 1.6593 1.6593 4.0055 4.0055 4.1021 4.1021 4.1904 4.1904 4.9331 4.9331 5.0159 5.0159 8.7957 8.7957 9.4020 9.4020 k = 0.2420 0.3421 0.8756 ( 19288 PWs) bands (ev): -41.9814 -41.9814 -41.9814 -41.9814 -10.8261 -10.8261 -10.7429 -10.7429 -10.6792 -10.6792 -10.6413 -10.6413 -0.8455 -0.8455 -0.5335 -0.5335 -0.2835 -0.2835 -0.2646 -0.2646 0.7290 0.7290 0.7674 0.7674 0.8541 0.8541 1.0319 1.0319 1.1654 1.1654 1.2642 1.2642 1.4187 1.4187 1.6298 1.6298 4.0067 4.0067 4.1046 4.1046 4.1938 4.1938 4.9338 4.9338 5.0013 5.0013 8.8629 8.8629 9.4710 9.4710 k = 0.2299 0.3250 0.8756 ( 19276 PWs) bands (ev): -41.9814 -41.9814 -41.9813 -41.9813 -10.8268 -10.8268 -10.7423 -10.7423 -10.6865 -10.6865 -10.6340 -10.6340 -0.8259 -0.8259 -0.5115 -0.5115 -0.2642 -0.2642 -0.2422 -0.2422 0.6793 0.6793 0.7240 0.7240 0.8420 0.8420 1.0262 1.0262 1.1460 1.1460 1.2667 1.2667 1.4469 1.4469 1.6001 1.6001 4.0080 4.0080 4.1069 4.1069 4.1973 4.1973 4.9362 4.9362 4.9866 4.9866 8.9273 8.9273 9.5423 9.5423 k = 0.2178 0.3079 0.8756 ( 19256 PWs) bands (ev): -41.9814 -41.9814 -41.9813 -41.9813 -10.8281 -10.8281 -10.7411 -10.7411 -10.6937 -10.6937 -10.6268 -10.6268 -0.8067 -0.8067 -0.4892 -0.4892 -0.2455 -0.2455 -0.2202 -0.2202 0.6253 0.6253 0.6857 0.6857 0.8308 0.8308 1.0203 1.0203 1.1264 1.1264 1.2698 1.2698 1.4774 1.4774 1.5709 1.5709 4.0093 4.0093 4.1090 4.1090 4.2009 4.2009 4.9400 4.9400 4.9723 4.9723 8.9879 8.9879 9.6157 9.6157 k = 0.2057 0.2908 0.8756 ( 19254 PWs) bands (ev): -41.9814 -41.9814 -41.9813 -41.9813 -10.8299 -10.8299 -10.7393 -10.7393 -10.7008 -10.7008 -10.6197 -10.6197 -0.7881 -0.7881 -0.4667 -0.4667 -0.2277 -0.2277 -0.1987 -0.1987 0.5705 0.5705 0.6501 0.6501 0.8205 0.8205 1.0140 1.0140 1.1062 1.1062 1.2738 1.2738 1.5036 1.5036 1.5487 1.5487 4.0106 4.0106 4.1108 4.1108 4.2046 4.2046 4.9434 4.9434 4.9600 4.9600 9.0438 9.0438 9.6910 9.6910 k = 0.1936 0.2737 0.8756 ( 19248 PWs) bands (ev): -41.9814 -41.9814 -41.9813 -41.9813 -10.8322 -10.8322 -10.7370 -10.7370 -10.7076 -10.7076 -10.6127 -10.6127 -0.7702 -0.7702 -0.4443 -0.4443 -0.2107 -0.2107 -0.1776 -0.1776 0.5168 0.5168 0.6165 0.6165 0.8111 0.8111 1.0074 1.0074 1.0857 1.0857 1.2783 1.2783 1.4949 1.4949 1.5635 1.5635 4.0119 4.0119 4.1125 4.1125 4.2083 4.2083 4.9374 4.9374 4.9587 4.9587 9.0941 9.0941 9.7680 9.7680 k = 0.1815 0.2566 0.8756 ( 19264 PWs) bands (ev): -41.9815 -41.9815 -41.9813 -41.9813 -10.8349 -10.8349 -10.7343 -10.7343 -10.7143 -10.7143 -10.6059 -10.6059 -0.7532 -0.7532 -0.4221 -0.4221 -0.1949 -0.1949 -0.1569 -0.1569 0.4649 0.4649 0.5847 0.5847 0.8024 0.8024 1.0004 1.0004 1.0649 1.0649 1.2835 1.2835 1.4665 1.4665 1.5999 1.5999 4.0132 4.0132 4.1140 4.1140 4.2120 4.2120 4.9243 4.9243 4.9661 4.9661 9.1379 9.1379 9.8464 9.8464 k = 0.1694 0.2395 0.8756 ( 19260 PWs) bands (ev): -41.9815 -41.9815 -41.9813 -41.9813 -10.8378 -10.8378 -10.7314 -10.7314 -10.7207 -10.7207 -10.5993 -10.5993 -0.7372 -0.7372 -0.4002 -0.4002 -0.1801 -0.1801 -0.1365 -0.1365 0.4153 0.4153 0.5548 0.5548 0.7947 0.7947 0.9927 0.9927 1.0441 1.0441 1.2891 1.2891 1.4357 1.4357 1.6404 1.6404 4.0144 4.0144 4.1153 4.1153 4.2155 4.2155 4.9103 4.9103 4.9760 4.9760 9.1748 9.1748 9.9261 9.9261 k = 0.1573 0.2224 0.8756 ( 19256 PWs) bands (ev): -41.9815 -41.9815 -41.9813 -41.9813 -10.8408 -10.8408 -10.7283 -10.7283 -10.7269 -10.7269 -10.5930 -10.5930 -0.7223 -0.7223 -0.3789 -0.3789 -0.1667 -0.1667 -0.1162 -0.1162 0.3685 0.3685 0.5271 0.5271 0.7880 0.7880 0.9839 0.9839 1.0239 1.0239 1.2947 1.2947 1.4047 1.4047 1.6824 1.6824 4.0155 4.0155 4.1165 4.1165 4.2190 4.2190 4.8965 4.8965 4.9871 4.9871 9.2044 9.2044 10.0064 10.0064 k = 0.1452 0.2053 0.8756 ( 19274 PWs) bands (ev): -41.9815 -41.9815 -41.9813 -41.9813 -10.8438 -10.8438 -10.7327 -10.7327 -10.7252 -10.7252 -10.5869 -10.5869 -0.7087 -0.7087 -0.3584 -0.3584 -0.1546 -0.1546 -0.0962 -0.0962 0.3247 0.3247 0.5017 0.5017 0.7823 0.7823 0.9727 0.9727 1.0059 1.0059 1.2996 1.2996 1.3748 1.3748 1.7249 1.7249 4.0166 4.0166 4.1175 4.1175 4.2224 4.2224 4.8832 4.8832 4.9992 4.9992 9.2263 9.2263 10.0857 10.0857 k = 0.1331 0.1882 0.8756 ( 19272 PWs) bands (ev): -41.9815 -41.9815 -41.9813 -41.9813 -10.8468 -10.8468 -10.7382 -10.7382 -10.7221 -10.7221 -10.5812 -10.5812 -0.6963 -0.6963 -0.3388 -0.3388 -0.1439 -0.1439 -0.0764 -0.0764 0.2842 0.2842 0.4787 0.4787 0.7777 0.7777 0.9574 0.9574 0.9919 0.9919 1.3013 1.3013 1.3487 1.3487 1.7672 1.7672 4.0177 4.0177 4.1184 4.1184 4.2256 4.2256 4.8704 4.8704 5.0118 5.0118 9.2407 9.2407 10.0674 10.0674 k = 0.1210 0.1711 0.8756 ( 19264 PWs) bands (ev): -41.9815 -41.9815 -41.9812 -41.9812 -10.8497 -10.8497 -10.7433 -10.7433 -10.7191 -10.7191 -10.5758 -10.5758 -0.6852 -0.6852 -0.3205 -0.3205 -0.1348 -0.1348 -0.0570 -0.0570 0.2472 0.2472 0.4584 0.4584 0.7742 0.7742 0.9383 0.9383 0.9820 0.9820 1.2919 1.2919 1.3343 1.3343 1.8086 1.8086 4.0186 4.0186 4.1191 4.1191 4.2286 4.2286 4.8583 4.8583 5.0248 5.0248 9.2473 9.2473 9.9772 9.9772 k = 0.1089 0.1540 0.8756 ( 19250 PWs) bands (ev): -41.9815 -41.9815 -41.9812 -41.9812 -10.8525 -10.8525 -10.7480 -10.7480 -10.7162 -10.7162 -10.5709 -10.5709 -0.6753 -0.6753 -0.3036 -0.3036 -0.1270 -0.1270 -0.0381 -0.0381 0.2139 0.2139 0.4408 0.4408 0.7718 0.7718 0.9172 0.9172 0.9745 0.9745 1.2695 1.2695 1.3338 1.3338 1.8485 1.8485 4.0195 4.0195 4.1198 4.1198 4.2314 4.2314 4.8470 4.8470 5.0378 5.0378 9.2464 9.2464 9.8954 9.8954 k = 0.0968 0.1369 0.8756 ( 19242 PWs) bands (ev): -41.9815 -41.9815 -41.9812 -41.9812 -10.8551 -10.8551 -10.7522 -10.7522 -10.7135 -10.7135 -10.5663 -10.5663 -0.6668 -0.6668 -0.2884 -0.2884 -0.1206 -0.1206 -0.0200 -0.0200 0.1844 0.1844 0.4261 0.4261 0.7705 0.7705 0.8957 0.8957 0.9684 0.9684 1.2435 1.2435 1.3380 1.3380 1.8862 1.8862 4.0203 4.0203 4.1204 4.1204 4.2339 4.2339 4.8366 4.8366 5.0506 5.0506 9.2383 9.2383 9.8246 9.8246 k = 0.0847 0.1197 0.8756 ( 19220 PWs) bands (ev): -41.9815 -41.9815 -41.9812 -41.9812 -10.8575 -10.8575 -10.7560 -10.7560 -10.7110 -10.7110 -10.5623 -10.5623 -0.6594 -0.6594 -0.2751 -0.2751 -0.1155 -0.1155 -0.0030 -0.0030 0.1589 0.1589 0.4141 0.4141 0.7702 0.7702 0.8746 0.8746 0.9632 0.9632 1.2178 1.2178 1.3432 1.3432 1.9212 1.9212 4.0210 4.0210 4.1209 4.1209 4.2362 4.2362 4.8273 4.8273 5.0627 5.0627 9.2236 9.2236 9.7660 9.7660 k = 0.0726 0.1026 0.8756 ( 19204 PWs) bands (ev): -41.9815 -41.9815 -41.9812 -41.9812 -10.8596 -10.8596 -10.7594 -10.7594 -10.7088 -10.7088 -10.5587 -10.5587 -0.6532 -0.6532 -0.2637 -0.2637 -0.1115 -0.1115 0.0126 0.0126 0.1372 0.1372 0.4049 0.4049 0.7708 0.7708 0.8545 0.8545 0.9587 0.9587 1.1936 1.1936 1.3483 1.3483 1.9528 1.9528 4.0216 4.0216 4.1213 4.1213 4.2382 4.2382 4.8190 4.8190 5.0740 5.0740 9.2039 9.2039 9.7194 9.7194 k = 0.0605 0.0855 0.8756 ( 19216 PWs) bands (ev): -41.9815 -41.9815 -41.9812 -41.9812 -10.8614 -10.8614 -10.7623 -10.7623 -10.7069 -10.7069 -10.5556 -10.5556 -0.6481 -0.6481 -0.2544 -0.2544 -0.1085 -0.1085 0.0264 0.0264 0.1193 0.1193 0.3983 0.3983 0.7720 0.7720 0.8361 0.8361 0.9550 0.9550 1.1717 1.1717 1.3530 1.3530 1.9806 1.9806 4.0221 4.0221 4.1216 4.1216 4.2400 4.2400 4.8118 4.8118 5.0841 5.0841 9.1814 9.1814 9.6839 9.6839 k = 0.0484 0.0684 0.8756 ( 19224 PWs) bands (ev): -41.9815 -41.9815 -41.9812 -41.9812 -10.8629 -10.8629 -10.7646 -10.7646 -10.7053 -10.7053 -10.5531 -10.5531 -0.6440 -0.6440 -0.2470 -0.2470 -0.1064 -0.1064 0.0383 0.0383 0.1050 0.1050 0.3938 0.3938 0.7735 0.7735 0.8200 0.8200 0.9519 0.9519 1.1527 1.1527 1.3571 1.3571 2.0041 2.0041 4.0225 4.0225 4.1218 4.1218 4.2414 4.2414 4.8059 4.8059 5.0927 5.0927 9.1587 9.1587 9.6579 9.6579 k = 0.0363 0.0513 0.8756 ( 19214 PWs) bands (ev): -41.9815 -41.9815 -41.9812 -41.9812 -10.8641 -10.8641 -10.7665 -10.7665 -10.7041 -10.7041 -10.5511 -10.5511 -0.6409 -0.6409 -0.2416 -0.2416 -0.1048 -0.1048 0.0480 0.0480 0.0941 0.0941 0.3911 0.3911 0.7747 0.7747 0.8071 0.8071 0.9495 0.9495 1.1371 1.1371 1.3604 1.3604 2.0228 2.0228 4.0228 4.0228 4.1220 4.1220 4.2425 4.2425 4.8013 4.8013 5.0997 5.0997 9.1382 9.1382 9.6397 9.6397 k = 0.0242 0.0342 0.8756 ( 19214 PWs) bands (ev): -41.9815 -41.9815 -41.9812 -41.9812 -10.8649 -10.8649 -10.7678 -10.7678 -10.7032 -10.7032 -10.5496 -10.5496 -0.6387 -0.6387 -0.2379 -0.2379 -0.1039 -0.1039 0.0555 0.0555 0.0860 0.0860 0.3896 0.3896 0.7751 0.7751 0.7981 0.7981 0.9478 0.9478 1.1255 1.1255 1.3628 1.3628 2.0363 2.0363 4.0231 4.0231 4.1222 4.1222 4.2433 4.2433 4.7979 4.7979 5.1049 5.1049 9.1221 9.1221 9.6278 9.6278 k = 0.0121 0.0171 0.8756 ( 19224 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8655 -10.8655 -10.7686 -10.7686 -10.7026 -10.7026 -10.5488 -10.5488 -0.6374 -0.6374 -0.2358 -0.2358 -0.1033 -0.1033 0.0605 0.0605 0.0808 0.0808 0.3890 0.3890 0.7746 0.7746 0.7934 0.7934 0.9467 0.9467 1.1183 1.1183 1.3643 1.3643 2.0446 2.0446 4.0232 4.0232 4.1223 4.1223 4.2438 4.2438 4.7959 4.7959 5.1080 5.1080 9.1118 9.1118 9.6211 9.6211 k = 0.0000 0.0000 0.8756 ( 19220 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8656 -10.8656 -10.7689 -10.7689 -10.7024 -10.7024 -10.5485 -10.5485 -0.6369 -0.6369 -0.2351 -0.2351 -0.1031 -0.1031 0.0625 0.0625 0.0788 0.0788 0.3888 0.3888 0.7742 0.7742 0.7921 0.7921 0.9464 0.9464 1.1158 1.1158 1.3648 1.3648 2.0474 2.0474 4.0233 4.0233 4.1223 4.1223 4.2440 4.2440 4.7952 4.7952 5.1091 5.1091 9.1082 9.1082 9.6189 9.6189 k = 0.0000 0.0000 0.8756 ( 19220 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8656 -10.8656 -10.7689 -10.7689 -10.7024 -10.7024 -10.5485 -10.5485 -0.6369 -0.6369 -0.2351 -0.2351 -0.1031 -0.1031 0.0625 0.0625 0.0788 0.0788 0.3888 0.3888 0.7742 0.7742 0.7921 0.7921 0.9464 0.9464 1.1158 1.1158 1.3648 1.3648 2.0474 2.0474 4.0233 4.0233 4.1223 4.1223 4.2440 4.2440 4.7952 4.7952 5.1091 5.1091 9.1082 9.1082 9.6189 9.6189 k = 0.0000 0.0000 0.8547 ( 19222 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8681 -10.8681 -10.7669 -10.7669 -10.7027 -10.7027 -10.5488 -10.5488 -0.6358 -0.6358 -0.2343 -0.2343 -0.1028 -0.1028 0.0619 0.0619 0.0793 0.0793 0.3873 0.3873 0.7658 0.7658 0.7909 0.7909 0.9597 0.9597 1.1182 1.1182 1.3650 1.3650 2.0477 2.0477 4.0234 4.0234 4.1224 4.1224 4.2439 4.2439 4.7956 4.7956 5.1082 5.1082 9.1081 9.1081 9.6173 9.6173 k = 0.0000 0.0000 0.8339 ( 19248 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8750 -10.8750 -10.7616 -10.7616 -10.7033 -10.7033 -10.5497 -10.5497 -0.6322 -0.6322 -0.2319 -0.2319 -0.1018 -0.1018 0.0595 0.0595 0.0816 0.0816 0.3830 0.3830 0.7384 0.7384 0.7972 0.7972 0.9917 0.9917 1.1251 1.1251 1.3654 1.3654 2.0485 2.0485 4.0238 4.0238 4.1227 4.1227 4.2436 4.2436 4.7968 4.7968 5.1057 5.1057 9.1076 9.1076 9.6125 9.6125 k = 0.0000 0.0000 0.8130 ( 19240 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8853 -10.8853 -10.7541 -10.7541 -10.7044 -10.7044 -10.5512 -10.5512 -0.6264 -0.6264 -0.2284 -0.2284 -0.1008 -0.1008 0.0545 0.0545 0.0871 0.0871 0.3769 0.3769 0.7025 0.7025 0.8101 0.8101 1.0320 1.0320 1.1366 1.1366 1.3662 1.3662 2.0499 2.0499 4.0244 4.0244 4.1231 4.1231 4.2432 4.2432 4.7989 4.7989 5.1016 5.1016 9.1067 9.1067 9.6044 9.6044 k = 0.0000 0.0000 0.7922 ( 19248 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8978 -10.8978 -10.7454 -10.7454 -10.7059 -10.7059 -10.5534 -10.5534 -0.6185 -0.6185 -0.2240 -0.2240 -0.1004 -0.1004 0.0474 0.0474 0.0962 0.0962 0.3705 0.3705 0.6646 0.6646 0.8273 0.8273 1.0754 1.0754 1.1525 1.1525 1.3673 1.3673 2.0520 2.0520 4.0253 4.0253 4.1237 4.1237 4.2427 4.2427 4.8019 4.8019 5.0959 5.0959 9.1053 9.1053 9.5930 9.5930 k = 0.0000 0.0000 0.7713 ( 19234 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.9119 -10.9119 -10.7362 -10.7362 -10.7079 -10.7079 -10.5561 -10.5561 -0.6085 -0.6085 -0.2195 -0.2195 -0.1017 -0.1017 0.0395 0.0395 0.1086 0.1086 0.3651 0.3651 0.6273 0.6273 0.8475 0.8475 1.1192 1.1192 1.1734 1.1734 1.3689 1.3689 2.0548 2.0548 4.0265 4.0265 4.1243 4.1243 4.2419 4.2419 4.8057 4.8057 5.0886 5.0886 9.1035 9.1035 9.5779 9.5779 k = 0.0000 0.0000 0.7505 ( 19250 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.9271 -10.9271 -10.7268 -10.7268 -10.7102 -10.7102 -10.5594 -10.5594 -0.5969 -0.5969 -0.2156 -0.2156 -0.1058 -0.1058 0.0322 0.0322 0.1245 0.1245 0.3622 0.3622 0.5922 0.5922 0.8697 0.8697 1.1603 1.1603 1.2003 1.2003 1.3712 1.3712 2.0583 2.0583 4.0279 4.0279 4.1249 4.1249 4.2410 4.2410 4.8105 4.8105 5.0800 5.0800 9.1011 9.1011 9.5590 9.5590 k = 0.0000 0.0000 0.7297 ( 19250 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.9432 -10.9432 -10.7176 -10.7176 -10.7130 -10.7130 -10.5633 -10.5633 -0.5841 -0.5841 -0.2133 -0.2133 -0.1133 -0.1133 0.0266 0.0266 0.1437 0.1437 0.3627 0.3627 0.5606 0.5606 0.8933 0.8933 1.1960 1.1960 1.2346 1.2346 1.3748 1.3748 2.0627 2.0627 4.0296 4.0296 4.1254 4.1254 4.2399 4.2399 4.8162 4.8162 5.0700 5.0700 9.0980 9.0980 9.5359 9.5359 k = 0.0000 0.0000 0.7088 ( 19252 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.9598 -10.9598 -10.7161 -10.7161 -10.7087 -10.7087 -10.5677 -10.5677 -0.5704 -0.5704 -0.2137 -0.2137 -0.1242 -0.1242 0.0232 0.0232 0.1661 0.1661 0.3674 0.3674 0.5342 0.5342 0.9175 0.9175 1.2275 1.2275 1.2727 1.2727 1.3811 1.3811 2.0680 2.0680 4.0315 4.0315 4.1256 4.1256 4.2386 4.2386 4.8229 4.8229 5.0588 5.0588 9.0941 9.0941 9.5084 9.5084 k = 0.0000 0.0000 0.6880 ( 19276 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.9769 -10.9769 -10.7196 -10.7196 -10.7003 -10.7003 -10.5726 -10.5726 -0.5569 -0.5569 -0.2176 -0.2176 -0.1376 -0.1376 0.0220 0.0220 0.1915 0.1915 0.3763 0.3763 0.5149 0.5149 0.9418 0.9418 1.2575 1.2575 1.3076 1.3076 1.3937 1.3937 2.0744 2.0744 4.0336 4.0336 4.1257 4.1257 4.2370 4.2370 4.8306 4.8306 5.0466 5.0466 9.0891 9.0891 9.4759 9.4759 k = 0.0000 0.0000 0.6671 ( 19260 PWs) bands (ev): -41.9816 -41.9816 -41.9813 -41.9813 -10.9944 -10.9944 -10.7234 -10.7234 -10.6923 -10.6923 -10.5779 -10.5779 -0.5443 -0.5443 -0.2256 -0.2256 -0.1520 -0.1520 0.0222 0.0222 0.2193 0.2193 0.3888 0.3888 0.5051 0.5051 0.9660 0.9660 1.2869 1.2869 1.3325 1.3325 1.4179 1.4179 2.0818 2.0818 4.0360 4.0360 4.1253 4.1253 4.2353 4.2353 4.8394 4.8394 5.0334 5.0334 9.0830 9.0830 9.4381 9.4381 k = 0.0000 0.0000 0.6463 ( 19266 PWs) bands (ev): -41.9816 -41.9816 -41.9813 -41.9813 -11.0122 -11.0122 -10.7275 -10.7275 -10.6849 -10.6849 -10.5837 -10.5837 -0.5339 -0.5339 -0.2384 -0.2384 -0.1650 -0.1650 0.0226 0.0226 0.2491 0.2491 0.4037 0.4037 0.5074 0.5074 0.9898 0.9898 1.3139 1.3139 1.3488 1.3488 1.4537 1.4537 2.0905 2.0905 4.0386 4.0386 4.1245 4.1245 4.2332 4.2332 4.8491 4.8491 5.0195 5.0195 9.0754 9.0754 9.3947 9.3947 k = 0.0000 0.0000 0.6254 ( 19274 PWs) bands (ev): -41.9816 -41.9816 -41.9813 -41.9813 -11.0301 -11.0301 -10.7319 -10.7319 -10.6779 -10.6779 -10.5899 -10.5899 -0.5272 -0.5272 -0.2558 -0.2558 -0.1753 -0.1753 0.0226 0.0226 0.2805 0.2805 0.4208 0.4208 0.5232 0.5232 1.0128 1.0128 1.3319 1.3319 1.3681 1.3681 1.4954 1.4954 2.1004 2.1004 4.0413 4.0413 4.1232 4.1232 4.2310 4.2310 4.8599 4.8599 5.0051 5.0051 9.0660 9.0660 9.3456 9.3456 k = 0.0000 0.0000 0.6046 ( 19266 PWs) bands (ev): -41.9817 -41.9817 -41.9813 -41.9813 -11.0481 -11.0481 -10.7366 -10.7366 -10.6716 -10.6716 -10.5964 -10.5964 -0.5254 -0.5254 -0.2770 -0.2770 -0.1823 -0.1823 0.0226 0.0226 0.3130 0.3130 0.4415 0.4415 0.5514 0.5514 1.0351 1.0351 1.3386 1.3386 1.3958 1.3958 1.5393 1.5393 2.1116 2.1116 4.0442 4.0442 4.1214 4.1214 4.2285 4.2285 4.8715 4.8715 4.9904 4.9904 9.0544 9.0544 9.2912 9.2912 k = 0.0000 0.0000 0.5837 ( 19260 PWs) bands (ev): -41.9817 -41.9817 -41.9813 -41.9813 -11.0661 -11.0661 -10.7415 -10.7415 -10.6658 -10.6658 -10.6033 -10.6033 -0.5291 -0.5291 -0.3010 -0.3010 -0.1874 -0.1874 0.0242 0.0242 0.3465 0.3465 0.4675 0.4675 0.5894 0.5894 1.0564 1.0564 1.3403 1.3403 1.4270 1.4270 1.5838 1.5838 2.1241 2.1241 4.0471 4.0471 4.1189 4.1189 4.2258 4.2258 4.8841 4.8841 4.9756 4.9756 9.0399 9.0399 9.2320 9.2320 k = 0.0000 0.0000 0.5629 ( 19261 PWs) bands (ev): -41.9817 -41.9817 -41.9813 -41.9813 -11.0841 -11.0841 -10.7466 -10.7466 -10.6605 -10.6605 -10.6104 -10.6104 -0.5387 -0.5387 -0.3265 -0.3265 -0.1926 -0.1926 0.0300 0.0300 0.3805 0.3805 0.4999 0.4999 0.6352 0.6352 1.0768 1.0768 1.3399 1.3399 1.4594 1.4594 1.6281 1.6281 2.1379 2.1379 4.0501 4.0501 4.1159 4.1159 4.2229 4.2229 4.8974 4.8974 4.9610 4.9610 9.0209 9.0209 9.1698 9.1698 k = 0.0000 0.0000 0.5420 ( 19277 PWs) bands (ev): -41.9817 -41.9817 -41.9813 -41.9813 -11.1020 -11.1020 -10.7519 -10.7519 -10.6558 -10.6558 -10.6178 -10.6178 -0.5534 -0.5534 -0.3531 -0.3531 -0.2005 -0.2005 0.0427 0.0427 0.4149 0.4149 0.5386 0.5386 0.6870 0.6870 1.0961 1.0961 1.3381 1.3381 1.4921 1.4921 1.6718 1.6718 2.1530 2.1530 4.0529 4.0529 4.1124 4.1124 4.2198 4.2198 4.9111 4.9111 4.9470 4.9470 8.9934 8.9934 9.1090 9.1090 k = 0.0000 0.0000 0.5212 ( 19269 PWs) bands (ev): -41.9817 -41.9817 -41.9813 -41.9813 -11.1197 -11.1197 -10.7573 -10.7573 -10.6516 -10.6516 -10.6253 -10.6253 -0.5724 -0.5724 -0.3800 -0.3800 -0.2127 -0.2127 0.0637 0.0637 0.4498 0.4498 0.5831 0.5831 0.7437 0.7437 1.1144 1.1144 1.3355 1.3355 1.5246 1.5246 1.7148 1.7148 2.1693 2.1693 4.0553 4.0553 4.1085 4.1085 4.2166 4.2166 4.9228 4.9228 4.9363 4.9363 8.9498 8.9498 9.0577 9.0577 k = 0.0000 0.0000 0.5003 ( 19279 PWs) bands (ev): -41.9817 -41.9817 -41.9814 -41.9814 -11.1372 -11.1372 -10.7628 -10.7628 -10.6479 -10.6479 -10.6330 -10.6330 -0.5946 -0.5946 -0.4070 -0.4070 -0.2291 -0.2291 0.0930 0.0930 0.4850 0.4850 0.6325 0.6325 0.8044 0.8044 1.1318 1.1318 1.3323 1.3323 1.5569 1.5569 1.7568 1.7568 2.1866 2.1866 4.0568 4.0568 4.1046 4.1046 4.2133 4.2133 4.9174 4.9174 4.9440 4.9440 8.8861 8.8861 9.0202 9.0202 k = 0.0000 0.0000 0.4795 ( 19267 PWs) bands (ev): -41.9818 -41.9818 -41.9814 -41.9814 -11.1545 -11.1545 -10.7684 -10.7684 -10.6447 -10.6447 -10.6408 -10.6408 -0.6192 -0.6192 -0.4338 -0.4338 -0.2491 -0.2491 0.1295 0.1295 0.5206 0.5206 0.6858 0.6858 0.8685 0.8685 1.1482 1.1482 1.3286 1.3286 1.5886 1.5886 1.7978 1.7978 2.2049 2.2049 4.0570 4.0570 4.1013 4.1013 4.2100 4.2100 4.9063 4.9063 4.9589 4.9589 8.8088 8.8088 8.9909 8.9909 k = 0.0000 0.0000 0.4586 ( 19271 PWs) bands (ev): -41.9818 -41.9818 -41.9814 -41.9814 -11.1714 -11.1714 -10.7741 -10.7741 -10.6487 -10.6487 -10.6419 -10.6419 -0.6452 -0.6452 -0.4602 -0.4602 -0.2715 -0.2715 0.1718 0.1718 0.5565 0.5565 0.7422 0.7422 0.9353 0.9353 1.1639 1.1639 1.3248 1.3248 1.6197 1.6197 1.8376 1.8376 2.2239 2.2239 4.0551 4.0551 4.0992 4.0992 4.2067 4.2067 4.8959 4.8959 4.9746 4.9746 8.7240 8.7240 8.9640 8.9640 k = 0.0000 0.0000 0.4378 ( 19275 PWs) bands (ev): -41.9818 -41.9818 -41.9814 -41.9814 -11.1879 -11.1879 -10.7798 -10.7798 -10.6566 -10.6566 -10.6395 -10.6395 -0.6721 -0.6721 -0.4861 -0.4861 -0.2955 -0.2955 0.2188 0.2188 0.5928 0.5928 0.8008 0.8008 1.0042 1.0042 1.1789 1.1789 1.3209 1.3209 1.6500 1.6500 1.8763 1.8763 2.2436 2.2436 4.0504 4.0504 4.0988 4.0988 4.2035 4.2035 4.8870 4.8870 4.9905 4.9905 8.6349 8.6349 8.9370 8.9370 k = 0.0000 0.0000 0.4169 ( 19273 PWs) bands (ev): -41.9818 -41.9818 -41.9814 -41.9814 -11.2041 -11.2041 -10.7854 -10.7854 -10.6644 -10.6644 -10.6376 -10.6376 -0.6993 -0.6993 -0.5113 -0.5113 -0.3203 -0.3203 0.2693 0.2693 0.6292 0.6292 0.8607 0.8607 1.0746 1.0746 1.1937 1.1937 1.3173 1.3173 1.6795 1.6795 1.9137 1.9137 2.2636 2.2636 4.0431 4.0431 4.0999 4.0999 4.2006 4.2006 4.8798 4.8798 5.0065 5.0065 8.5428 8.5428 8.9092 8.9092 k = 0.0000 0.0000 0.3961 ( 19279 PWs) bands (ev): -41.9818 -41.9818 -41.9814 -41.9814 -11.2197 -11.2197 -10.7911 -10.7911 -10.6722 -10.6722 -10.6359 -10.6359 -0.7266 -0.7266 -0.5358 -0.5358 -0.3452 -0.3452 0.3225 0.3225 0.6656 0.6656 0.9207 0.9207 1.1456 1.1456 1.2087 1.2087 1.3147 1.3147 1.7081 1.7081 1.9500 1.9500 2.2838 2.2838 4.0336 4.0336 4.1022 4.1022 4.1979 4.1979 4.8746 4.8746 5.0223 5.0223 8.4488 8.4488 8.8800 8.8800 k = 0.0000 0.0000 0.3752 ( 19277 PWs) bands (ev): -41.9818 -41.9818 -41.9814 -41.9814 -11.2348 -11.2348 -10.7966 -10.7966 -10.6799 -10.6799 -10.6346 -10.6346 -0.7535 -0.7535 -0.5594 -0.5594 -0.3700 -0.3700 0.3776 0.3776 0.7019 0.7019 0.9794 0.9794 1.2108 1.2108 1.2298 1.2298 1.3141 1.3141 1.7357 1.7357 1.9852 1.9852 2.3039 2.3039 4.0224 4.0224 4.1051 4.1051 4.1955 4.1955 4.8715 4.8715 5.0378 5.0378 8.3538 8.3538 8.8493 8.8493 k = 0.0000 0.0000 0.3544 ( 19277 PWs) bands (ev): -41.9819 -41.9819 -41.9815 -41.9815 -11.2494 -11.2494 -10.8020 -10.8020 -10.6874 -10.6874 -10.6336 -10.6336 -0.7798 -0.7798 -0.5821 -0.5821 -0.3944 -0.3944 0.4340 0.4340 0.7380 0.7380 1.0344 1.0344 1.2346 1.2346 1.2894 1.2894 1.3201 1.3201 1.7624 1.7624 2.0193 2.0193 2.3236 2.3236 4.0096 4.0096 4.1084 4.1084 4.1935 4.1935 4.8706 4.8706 5.0530 5.0530 8.2583 8.2583 8.8170 8.8170 k = 0.0000 0.0000 0.3336 ( 19283 PWs) bands (ev): -41.9819 -41.9819 -41.9815 -41.9815 -11.2633 -11.2633 -10.8073 -10.8073 -10.6947 -10.6947 -10.6329 -10.6329 -0.8053 -0.8053 -0.6037 -0.6037 -0.4180 -0.4180 0.4911 0.4911 0.7736 0.7736 1.0830 1.0830 1.2488 1.2488 1.3217 1.3217 1.3685 1.3685 1.7880 1.7880 2.0525 2.0525 2.3429 2.3429 3.9956 3.9956 4.1117 4.1117 4.1920 4.1920 4.8722 4.8722 5.0676 5.0676 8.1630 8.1630 8.7832 8.7832 k = 0.0000 0.0000 0.3127 ( 19291 PWs) bands (ev): -41.9819 -41.9819 -41.9815 -41.9815 -11.2766 -11.2766 -10.8124 -10.8124 -10.7017 -10.7017 -10.6324 -10.6324 -0.8299 -0.8299 -0.6243 -0.6243 -0.4407 -0.4407 0.5482 0.5482 0.8085 0.8085 1.1221 1.1221 1.2587 1.2587 1.3457 1.3457 1.4372 1.4372 1.8128 1.8128 2.0849 2.0849 2.3615 2.3615 3.9804 3.9804 4.1150 4.1150 4.1909 4.1909 4.8761 4.8761 5.0816 5.0816 8.0686 8.0686 8.7481 8.7481 k = 0.0000 0.0000 0.2919 ( 19309 PWs) bands (ev): -41.9819 -41.9819 -41.9815 -41.9815 -11.2892 -11.2892 -10.8174 -10.8174 -10.7085 -10.7085 -10.6320 -10.6320 -0.8534 -0.8534 -0.6438 -0.6438 -0.4624 -0.4624 0.6047 0.6047 0.8427 0.8427 1.1507 1.1507 1.2642 1.2642 1.3826 1.3826 1.5050 1.5050 1.8366 1.8366 2.1168 2.1168 2.3791 2.3791 3.9643 3.9643 4.1181 4.1181 4.1904 4.1904 4.8824 4.8824 5.0949 5.0949 7.9757 7.9757 8.7117 8.7117 k = 0.0000 0.0000 0.2710 ( 19297 PWs) bands (ev): -41.9819 -41.9819 -41.9815 -41.9815 -11.3011 -11.3011 -10.8221 -10.8221 -10.7150 -10.7150 -10.6319 -10.6319 -0.8756 -0.8756 -0.6621 -0.6621 -0.4829 -0.4829 0.6600 0.6600 0.8758 0.8758 1.1702 1.1702 1.2671 1.2671 1.4295 1.4295 1.5700 1.5700 1.8597 1.8597 2.1484 2.1484 2.3956 2.3956 3.9473 3.9473 4.1209 4.1209 4.1904 4.1904 4.8909 4.8909 5.1075 5.1075 7.8849 7.8849 8.6744 8.6744 k = 0.0000 0.0000 0.2502 ( 19297 PWs) bands (ev): -41.9819 -41.9819 -41.9815 -41.9815 -11.3123 -11.3123 -10.8265 -10.8265 -10.7211 -10.7211 -10.6319 -10.6319 -0.8965 -0.8965 -0.6792 -0.6792 -0.5021 -0.5021 0.7133 0.7133 0.9077 0.9077 1.1833 1.1833 1.2695 1.2695 1.4818 1.4818 1.6311 1.6311 1.8820 1.8820 2.1800 2.1800 2.4110 2.4110 3.9297 3.9297 4.1234 4.1234 4.1910 4.1910 4.9015 4.9015 5.1192 5.1192 7.7970 7.7970 8.6365 8.6365 k = 0.0000 0.0000 0.2293 ( 19311 PWs) bands (ev): -41.9819 -41.9819 -41.9816 -41.9816 -11.3227 -11.3227 -10.8307 -10.8307 -10.7269 -10.7269 -10.6320 -10.6320 -0.9160 -0.9160 -0.6951 -0.6951 -0.5200 -0.5200 0.7640 0.7640 0.9382 0.9382 1.1924 1.1924 1.2722 1.2722 1.5361 1.5361 1.6872 1.6872 1.9039 1.9039 2.2121 2.2121 2.4250 2.4250 3.9115 3.9115 4.1257 4.1257 4.1919 4.1919 4.9140 4.9140 5.1301 5.1301 7.7126 7.7126 8.5984 8.5984 k = 0.0000 0.0000 0.2085 ( 19319 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.3322 -11.3322 -10.8347 -10.8347 -10.7323 -10.7323 -10.6322 -10.6322 -0.9341 -0.9341 -0.7097 -0.7097 -0.5366 -0.5366 0.8114 0.8114 0.9670 0.9670 1.1990 1.1990 1.2755 1.2755 1.5901 1.5901 1.7374 1.7374 1.9255 1.9255 2.2447 2.2447 2.4376 2.4376 3.8929 3.8929 4.1276 4.1276 4.1933 4.1933 4.9278 4.9278 5.1401 5.1401 7.6323 7.6323 8.5606 8.5606 k = 0.0000 0.0000 0.1876 ( 19325 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.3410 -11.3410 -10.8383 -10.8383 -10.7372 -10.7372 -10.6324 -10.6324 -0.9505 -0.9505 -0.7230 -0.7230 -0.5517 -0.5517 0.8548 0.8548 0.9938 0.9938 1.2044 1.2044 1.2795 1.2795 1.6420 1.6420 1.7809 1.7809 1.9468 1.9468 2.2781 2.2781 2.4487 2.4487 3.8743 3.8743 4.1294 4.1294 4.1949 4.1949 4.9428 4.9428 5.1492 5.1492 7.5569 7.5569 8.5237 8.5237 k = 0.0000 0.0000 0.1668 ( 19325 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.3489 -11.3489 -10.8415 -10.8415 -10.7417 -10.7417 -10.6327 -10.6327 -0.9654 -0.9654 -0.7349 -0.7349 -0.5653 -0.5653 0.8937 0.8937 1.0181 1.0181 1.2096 1.2096 1.2842 1.2842 1.6906 1.6906 1.8175 1.8175 1.9677 1.9677 2.3119 2.3119 2.4584 2.4584 3.8559 3.8559 4.1309 4.1309 4.1967 4.1967 4.9582 4.9582 5.1573 5.1573 7.4871 7.4871 8.4883 8.4883 k = 0.0000 0.0000 0.1459 ( 19329 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.3559 -11.3559 -10.8445 -10.8445 -10.7457 -10.7457 -10.6330 -10.6330 -0.9786 -0.9786 -0.7455 -0.7455 -0.5774 -0.5774 0.9276 0.9276 1.0395 1.0395 1.2151 1.2151 1.2895 1.2895 1.7350 1.7350 1.8474 1.8474 1.9881 1.9881 2.3457 2.3457 2.4666 2.4666 3.8380 3.8380 4.1323 4.1323 4.1985 4.1985 4.9737 4.9737 5.1645 5.1645 7.4235 7.4235 8.4551 8.4551 k = 0.0000 0.0000 0.1251 ( 19321 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.3620 -11.3620 -10.8470 -10.8470 -10.7492 -10.7492 -10.6333 -10.6333 -0.9902 -0.9902 -0.7547 -0.7547 -0.5879 -0.5879 0.9563 0.9563 1.0576 1.0576 1.2211 1.2211 1.2953 1.2953 1.7742 1.7742 1.8714 1.8714 2.0074 2.0074 2.3784 2.3784 2.4733 2.4733 3.8210 3.8210 4.1335 4.1335 4.2003 4.2003 4.9887 4.9887 5.1708 5.1708 7.3669 7.3669 8.4247 8.4247 k = 0.0000 0.0000 0.1042 ( 19317 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.3672 -11.3672 -10.8492 -10.8492 -10.7522 -10.7522 -10.6336 -10.6336 -1.0000 -1.0000 -0.7625 -0.7625 -0.5968 -0.5968 0.9800 0.9800 1.0722 1.0722 1.2276 1.2276 1.3015 1.3015 1.8076 1.8076 1.8903 1.8903 2.0251 2.0251 2.4091 2.4091 2.4787 2.4787 3.8054 3.8054 4.1346 4.1346 4.2020 4.2020 5.0026 5.0026 5.1761 5.1761 7.3178 7.3178 8.3978 8.3978 k = 0.0000 0.0000 0.0834 ( 19303 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.3714 -11.3714 -10.8510 -10.8510 -10.7547 -10.7547 -10.6338 -10.6338 -1.0081 -1.0081 -0.7689 -0.7689 -0.6042 -0.6042 0.9987 0.9987 1.0833 1.0833 1.2339 1.2339 1.3077 1.3077 1.8347 1.8347 1.9050 1.9050 2.0405 2.0405 2.4364 2.4364 2.4829 2.4829 3.7917 3.7917 4.1355 4.1355 4.2035 4.2035 5.0148 5.0148 5.1805 5.1805 7.2767 7.2767 8.3748 8.3748 k = 0.0000 0.0000 0.0625 ( 19299 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.3747 -11.3747 -10.8524 -10.8524 -10.7566 -10.7566 -10.6340 -10.6340 -1.0143 -1.0143 -0.7739 -0.7739 -0.6099 -0.6099 1.0128 1.0128 1.0913 1.0913 1.2396 1.2396 1.3134 1.3134 1.8554 1.8554 1.9162 1.9162 2.0533 2.0533 2.4589 2.4589 2.4862 2.4862 3.7803 3.7803 4.1363 4.1363 4.2047 4.2047 5.0248 5.0248 5.1839 5.1839 7.2443 7.2443 8.3564 8.3564 k = 0.0000 0.0000 0.0417 ( 19299 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.3771 -11.3771 -10.8535 -10.8535 -10.7580 -10.7580 -10.6342 -10.6342 -1.0189 -1.0189 -0.7775 -0.7775 -0.6140 -0.6140 1.0226 1.0226 1.0966 1.0966 1.2440 1.2440 1.3181 1.3181 1.8697 1.8697 1.9240 1.9240 2.0630 2.0630 2.4751 2.4751 2.4891 2.4891 3.7718 3.7718 4.1369 4.1369 4.2055 4.2055 5.0323 5.0323 5.1864 5.1864 7.2208 7.2208 8.3430 8.3430 k = 0.0000 0.0000 0.0208 ( 19297 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.3786 -11.3786 -10.8541 -10.8541 -10.7589 -10.7589 -10.6343 -10.6343 -1.0216 -1.0216 -0.7797 -0.7797 -0.6165 -0.6165 1.0284 1.0284 1.0996 1.0996 1.2468 1.2468 1.3213 1.3213 1.8782 1.8782 1.9288 1.9288 2.0689 2.0689 2.4832 2.4832 2.4927 2.4927 3.7665 3.7665 4.1372 4.1372 4.2061 4.2061 5.0370 5.0370 5.1879 5.1879 7.2066 7.2066 8.3348 8.3348 k = 0.0000 0.0000 0.0000 ( 19305 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.3790 -11.3790 -10.8543 -10.8543 -10.7592 -10.7592 -10.6343 -10.6343 -1.0225 -1.0225 -0.7804 -0.7804 -0.6173 -0.6173 1.0302 1.0302 1.1006 1.1006 1.2478 1.2478 1.3224 1.3224 1.8809 1.8809 1.9304 1.9304 2.0710 2.0710 2.4851 2.4851 2.4949 2.4949 3.7647 3.7647 4.1373 4.1373 4.2063 4.2063 5.0385 5.0385 5.1884 5.1884 7.2018 7.2018 8.3321 8.3321 k = 0.0000 0.0000 0.0000 ( 19305 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.3790 -11.3790 -10.8543 -10.8543 -10.7592 -10.7592 -10.6343 -10.6343 -1.0225 -1.0225 -0.7804 -0.7804 -0.6173 -0.6173 1.0302 1.0302 1.1006 1.1006 1.2478 1.2478 1.3224 1.3224 1.8809 1.8809 1.9304 1.9304 2.0710 2.0710 2.4851 2.4851 2.4949 2.4949 3.7647 3.7647 4.1373 4.1373 4.2063 4.2063 5.0385 5.0385 5.1884 5.1884 7.2018 7.2018 8.3321 8.3321 k =-0.0172 0.0122-0.0000 ( 19321 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.3786 -11.3786 -10.8543 -10.8543 -10.7593 -10.7593 -10.6348 -10.6348 -1.0213 -1.0213 -0.7791 -0.7791 -0.6159 -0.6159 1.0308 1.0308 1.1004 1.1004 1.2469 1.2469 1.3229 1.3229 1.8794 1.8794 1.9285 1.9285 2.0698 2.0698 2.4838 2.4838 2.4924 2.4924 3.7648 3.7648 4.1374 4.1374 4.2066 4.2066 5.0385 5.0385 5.1870 5.1870 7.2066 7.2066 8.3310 8.3310 k =-0.0345 0.0244-0.0000 ( 19329 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.3774 -11.3774 -10.8543 -10.8543 -10.7597 -10.7597 -10.6361 -10.6361 -1.0178 -1.0178 -0.7753 -0.7753 -0.6117 -0.6117 1.0324 1.0324 1.0996 1.0996 1.2442 1.2442 1.3243 1.3243 1.8745 1.8745 1.9230 1.9230 2.0665 2.0665 2.4791 2.4791 2.4862 2.4862 3.7649 3.7649 4.1377 4.1377 4.2075 4.2075 5.0383 5.0383 5.1829 5.1829 7.2209 7.2209 8.3330 8.3330 k =-0.0517 0.0366-0.0000 ( 19311 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.3753 -11.3753 -10.8542 -10.8542 -10.7604 -10.7604 -10.6383 -10.6383 -1.0119 -1.0119 -0.7691 -0.7691 -0.6047 -0.6047 1.0350 1.0350 1.0983 1.0983 1.2398 1.2398 1.3268 1.3268 1.8657 1.8657 1.9143 1.9143 2.0612 2.0612 2.4678 2.4678 2.4793 2.4793 3.7652 3.7652 4.1381 4.1381 4.2091 4.2091 5.0380 5.0380 5.1761 5.1761 7.2446 7.2446 8.3390 8.3390 k =-0.0690 0.0488-0.0000 ( 19309 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.3724 -11.3724 -10.8542 -10.8542 -10.7614 -10.7614 -10.6413 -10.6413 -1.0038 -1.0038 -0.7603 -0.7603 -0.5949 -0.5949 1.0386 1.0386 1.0965 1.0965 1.2337 1.2337 1.3301 1.3301 1.8522 1.8522 1.9032 1.9032 2.0541 2.0541 2.4503 2.4503 2.4722 2.4722 3.7655 3.7655 4.1387 4.1387 4.2113 4.2113 5.0375 5.0375 5.1667 5.1667 7.2775 7.2775 8.3487 8.3487 k =-0.0862 0.0610-0.0000 ( 19299 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.3687 -11.3687 -10.8542 -10.8542 -10.7626 -10.7626 -10.6451 -10.6451 -0.9934 -0.9934 -0.7490 -0.7490 -0.5824 -0.5824 1.0432 1.0432 1.0939 1.0939 1.2260 1.2260 1.3344 1.3344 1.8333 1.8333 1.8902 1.8902 2.0457 2.0457 2.4281 2.4281 2.4636 2.4636 3.7659 3.7659 4.1393 4.1393 4.2142 4.2142 5.0369 5.0369 5.1548 5.1548 7.3194 7.3194 8.3620 8.3620 k =-0.1034 0.0732-0.0000 ( 19295 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.3641 -11.3641 -10.8542 -10.8542 -10.7643 -10.7643 -10.6496 -10.6496 -0.9808 -0.9808 -0.7352 -0.7352 -0.5673 -0.5673 1.0487 1.0487 1.0905 1.0905 1.2169 1.2169 1.3393 1.3393 1.8090 1.8090 1.8752 1.8752 2.0361 2.0361 2.4022 2.4022 2.4534 2.4534 3.7663 3.7663 4.1400 4.1400 4.2175 4.2175 5.0361 5.0361 5.1406 5.1406 7.3698 7.3698 8.3786 8.3786 k =-0.1207 0.0854-0.0000 ( 19287 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.3588 -11.3588 -10.8541 -10.8541 -10.7662 -10.7662 -10.6548 -10.6548 -0.9660 -0.9660 -0.7190 -0.7190 -0.5494 -0.5494 1.0549 1.0549 1.0861 1.0861 1.2066 1.2066 1.3448 1.3448 1.7798 1.7798 1.8580 1.8580 2.0257 2.0257 2.3735 2.3735 2.4416 2.4416 3.7668 3.7668 4.1407 4.1407 4.2215 4.2215 5.0350 5.0350 5.1244 5.1244 7.4285 7.4285 8.3984 8.3984 k =-0.1379 0.0975-0.0000 ( 19279 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.3527 -11.3527 -10.8541 -10.8541 -10.7686 -10.7686 -10.6606 -10.6606 -0.9492 -0.9492 -0.7004 -0.7004 -0.5290 -0.5290 1.0617 1.0617 1.0804 1.0804 1.1955 1.1955 1.3506 1.3506 1.7464 1.7464 1.8380 1.8380 2.0145 2.0145 2.3429 2.3429 2.4283 2.4283 3.7674 3.7674 4.1414 4.1414 4.2259 4.2259 5.0335 5.0335 5.1067 5.1067 7.4949 7.4949 8.4214 8.4215 k =-0.1552 0.1097-0.0000 ( 19287 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.3459 -11.3459 -10.8540 -10.8540 -10.7715 -10.7715 -10.6669 -10.6669 -0.9303 -0.9303 -0.6793 -0.6793 -0.5061 -0.5061 1.0681 1.0681 1.0737 1.0737 1.1840 1.1840 1.3564 1.3564 1.7102 1.7102 1.8145 1.8145 2.0027 2.0027 2.3112 2.3112 2.4135 2.4135 3.7680 3.7680 4.1420 4.1420 4.2308 4.2308 5.0310 5.0310 5.0880 5.0880 7.5683 7.5683 8.4475 8.4475 k =-0.1724 0.1219-0.0000 ( 19287 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.3384 -11.3384 -10.8540 -10.8540 -10.7749 -10.7749 -10.6735 -10.6735 -0.9097 -0.9097 -0.6559 -0.6559 -0.4806 -0.4806 1.0625 1.0625 1.0767 1.0767 1.1729 1.1729 1.3614 1.3614 1.6724 1.6724 1.7874 1.7874 1.9900 1.9900 2.2795 2.2795 2.3975 2.3975 3.7686 3.7686 4.1426 4.1426 4.2360 4.2360 5.0265 5.0265 5.0698 5.0698 7.6483 7.6483 8.4766 8.4766 k =-0.1897 0.1341-0.0000 ( 19281 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.3301 -11.3301 -10.8539 -10.8539 -10.7789 -10.7789 -10.6803 -10.6803 -0.8873 -0.8873 -0.6301 -0.6301 -0.4528 -0.4528 1.0503 1.0503 1.0827 1.0827 1.1629 1.1629 1.3648 1.3648 1.6349 1.6349 1.7565 1.7565 1.9762 1.9762 2.2486 2.2486 2.3805 2.3805 3.7691 3.7691 4.1431 4.1431 4.2415 4.2415 5.0172 5.0172 5.0552 5.0552 7.7341 7.7341 8.5087 8.5087 k =-0.2069 0.1463-0.0000 ( 19285 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.3213 -11.3213 -10.8539 -10.8539 -10.7837 -10.7837 -10.6872 -10.6872 -0.8633 -0.8633 -0.6021 -0.6021 -0.4227 -0.4227 1.0349 1.0349 1.0864 1.0864 1.1556 1.1556 1.3650 1.3650 1.6003 1.6003 1.7219 1.7219 1.9611 1.9611 2.2192 2.2192 2.3625 2.3625 3.7697 3.7697 4.1435 4.1435 4.2472 4.2472 5.0011 5.0011 5.0466 5.0466 7.8248 7.8248 8.5437 8.5437 k =-0.2241 0.1585-0.0000 ( 19281 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.3118 -11.3118 -10.8538 -10.8538 -10.7893 -10.7893 -10.6940 -10.6940 -0.8380 -0.8380 -0.5718 -0.5718 -0.3904 -0.3904 1.0161 1.0161 1.0854 1.0854 1.1522 1.1522 1.3601 1.3601 1.5715 1.5715 1.6841 1.6841 1.9443 1.9443 2.1919 2.1919 2.3440 2.3440 3.7703 3.7703 4.1437 4.1437 4.2531 4.2531 4.9801 4.9801 5.0423 5.0423 7.9195 7.9195 8.5817 8.5817 k =-0.2414 0.1707-0.0000 ( 19277 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.3017 -11.3017 -10.8537 -10.8537 -10.7957 -10.7957 -10.7004 -10.7004 -0.8114 -0.8114 -0.5393 -0.5393 -0.3559 -0.3559 0.9940 0.9940 1.0781 1.0781 1.1531 1.1531 1.3488 1.3488 1.5513 1.5513 1.6441 1.6441 1.9258 1.9258 2.1668 2.1668 2.3251 2.3251 3.7709 3.7709 4.1439 4.1439 4.2590 4.2590 4.9571 4.9571 5.0398 5.0398 8.0173 8.0173 8.6228 8.6228 k =-0.2586 0.1829-0.0000 ( 19291 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.2911 -11.2911 -10.8537 -10.8537 -10.8032 -10.8032 -10.7065 -10.7065 -0.7839 -0.7839 -0.5047 -0.5047 -0.3194 -0.3194 0.9689 0.9689 1.0637 1.0637 1.1566 1.1566 1.3327 1.3327 1.5386 1.5386 1.6043 1.6043 1.9055 1.9055 2.1439 2.1439 2.3062 2.3062 3.7714 3.7714 4.1440 4.1440 4.2649 4.2649 4.9335 4.9335 5.0381 5.0381 8.1168 8.1168 8.6671 8.6671 k =-0.2759 0.1951-0.0000 ( 19287 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.2801 -11.2801 -10.8536 -10.8536 -10.8116 -10.8116 -10.7120 -10.7120 -0.7556 -0.7556 -0.4681 -0.4681 -0.2809 -0.2809 0.9409 0.9409 1.0418 1.0418 1.1604 1.1604 1.3161 1.3161 1.5234 1.5234 1.5742 1.5742 1.8834 1.8834 2.1229 2.1229 2.2877 2.2877 3.7720 3.7720 4.1439 4.1439 4.2708 4.2708 4.9098 4.9098 5.0369 5.0369 8.2165 8.2165 8.7152 8.7152 k =-0.2931 0.2073-0.0000 ( 19287 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.2686 -11.2686 -10.8535 -10.8535 -10.8209 -10.8209 -10.7169 -10.7169 -0.7270 -0.7270 -0.4295 -0.4295 -0.2406 -0.2406 0.9102 0.9102 1.0118 1.0118 1.1625 1.1625 1.3038 1.3038 1.4903 1.4903 1.5678 1.5678 1.8599 1.8599 2.1031 2.1031 2.2700 2.2700 3.7725 3.7725 4.1438 4.1438 4.2764 4.2764 4.8866 4.8866 5.0358 5.0358 8.3146 8.3146 8.7677 8.7677 k =-0.3103 0.2195-0.0000 ( 19281 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.2569 -11.2569 -10.8535 -10.8535 -10.8310 -10.8310 -10.7212 -10.7212 -0.6982 -0.6982 -0.3893 -0.3893 -0.1985 -0.1985 0.8770 0.8770 0.9739 0.9739 1.1621 1.1621 1.2983 1.2983 1.4483 1.4483 1.5752 1.5752 1.8353 1.8353 2.0838 2.0838 2.2534 2.2534 3.7729 3.7729 4.1436 4.1436 4.2818 4.2818 4.8643 4.8643 5.0349 5.0349 8.4086 8.4086 8.8256 8.8256 k =-0.3276 0.2317-0.0000 ( 19266 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.2450 -11.2450 -10.8534 -10.8534 -10.8418 -10.8418 -10.7250 -10.7250 -0.6697 -0.6697 -0.3474 -0.3474 -0.1548 -0.1548 0.8413 0.8413 0.9292 0.9292 1.1597 1.1597 1.2979 1.2979 1.4069 1.4069 1.5880 1.5880 1.8099 1.8099 2.0644 2.0644 2.2384 2.2384 3.7734 3.7734 4.1434 4.1434 4.2870 4.2870 4.8430 4.8430 5.0341 5.0341 8.4961 8.4961 8.8900 8.8900 k =-0.3448 0.2439-0.0000 ( 19274 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.2330 -11.2330 -10.8536 -10.8536 -10.8528 -10.8528 -10.7282 -10.7282 -0.6419 -0.6419 -0.3041 -0.3041 -0.1097 -0.1097 0.8032 0.8032 0.8796 0.8796 1.1564 1.1564 1.2959 1.2959 1.3737 1.3737 1.6034 1.6034 1.7841 1.7841 2.0445 2.0445 2.2251 2.2251 3.7738 3.7738 4.1431 4.1431 4.2918 4.2918 4.8231 4.8232 5.0334 5.0334 8.5747 8.5747 8.9616 8.9616 k =-0.3621 0.2561-0.0000 ( 19256 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.2211 -11.2211 -10.8645 -10.8645 -10.8533 -10.8533 -10.7310 -10.7310 -0.6152 -0.6152 -0.2598 -0.2598 -0.0632 -0.0632 0.7626 0.7626 0.8272 0.8272 1.1528 1.1528 1.2794 1.2794 1.3613 1.3613 1.6201 1.6201 1.7587 1.7587 2.0236 2.0236 2.2138 2.2138 3.7741 3.7741 4.1428 4.1428 4.2962 4.2962 4.8048 4.8048 5.0328 5.0328 8.6428 8.6428 9.0400 9.0400 k =-0.3793 0.2683-0.0000 ( 19260 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.2094 -11.2094 -10.8759 -10.8759 -10.8533 -10.8533 -10.7333 -10.7333 -0.5900 -0.5900 -0.2149 -0.2149 -0.0156 -0.0156 0.7193 0.7193 0.7738 0.7738 1.1493 1.1493 1.2493 1.2493 1.3685 1.3685 1.6362 1.6362 1.7351 1.7351 2.0018 2.0018 2.2043 2.2043 3.7745 3.7745 4.1424 4.1424 4.3002 4.3002 4.7883 4.7883 5.0322 5.0322 8.7004 8.7004 9.1232 9.1232 k =-0.3966 0.2805-0.0000 ( 19260 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.1982 -11.1982 -10.8871 -10.8871 -10.8532 -10.8532 -10.7352 -10.7352 -0.5668 -0.5668 -0.1698 -0.1698 0.0329 0.0329 0.6732 0.6732 0.7215 0.7215 1.1458 1.1458 1.2170 1.2170 1.3843 1.3843 1.6474 1.6474 1.7175 1.7175 1.9790 1.9790 2.1967 2.1967 3.7747 3.7747 4.1421 4.1421 4.3037 4.3037 4.7736 4.7736 5.0317 5.0317 8.7482 8.7482 9.2081 9.2081 k =-0.4138 0.2926-0.0000 ( 19250 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.1877 -11.1877 -10.8976 -10.8976 -10.8532 -10.8532 -10.7368 -10.7368 -0.5461 -0.5461 -0.1256 -0.1256 0.0820 0.0820 0.6246 0.6246 0.6716 0.6716 1.1417 1.1417 1.1881 1.1881 1.4038 1.4038 1.6441 1.6441 1.7151 1.7151 1.9555 1.9555 2.1906 2.1906 3.7750 3.7750 4.1418 4.1418 4.3068 4.3068 4.7610 4.7610 5.0313 5.0313 8.7870 8.7870 9.2906 9.2906 k =-0.4310 0.3048-0.0000 ( 19238 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.1783 -11.1783 -10.9070 -10.9070 -10.8532 -10.8532 -10.7381 -10.7381 -0.5285 -0.5285 -0.0834 -0.0834 0.1310 0.1310 0.5747 0.5747 0.6254 0.6254 1.1350 1.1350 1.1663 1.1663 1.4254 1.4254 1.6263 1.6263 1.7279 1.7279 1.9315 1.9315 2.1859 2.1859 3.7752 3.7752 4.1415 4.1415 4.3093 4.3093 4.7505 4.7505 5.0310 5.0310 8.8180 8.8180 9.3661 9.3661 k =-0.4483 0.3170-0.0000 ( 19234 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.1704 -11.1704 -10.9150 -10.9150 -10.8531 -10.8531 -10.7390 -10.7390 -0.5142 -0.5142 -0.0451 -0.0451 0.1793 0.1793 0.5254 0.5254 0.5840 0.5840 1.1238 1.1238 1.1546 1.1546 1.4485 1.4485 1.6026 1.6026 1.7471 1.7471 1.9075 1.9075 2.1825 2.1825 3.7753 3.7753 4.1413 4.1413 4.3113 4.3113 4.7423 4.7423 5.0308 5.0308 8.8416 8.8416 9.4299 9.4299 k =-0.4655 0.3292-0.0000 ( 19230 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.1643 -11.1643 -10.9212 -10.9212 -10.8531 -10.8531 -10.7397 -10.7397 -0.5037 -0.5037 -0.0136 -0.0136 0.2249 0.2249 0.4792 0.4792 0.5498 0.5498 1.1118 1.1118 1.1499 1.1499 1.4725 1.4725 1.5773 1.5773 1.7677 1.7677 1.8843 1.8843 2.1802 2.1802 3.7754 3.7754 4.1411 4.1411 4.3127 4.3127 4.7364 4.7364 5.0306 5.0306 8.8582 8.8582 9.4778 9.4778 k =-0.4828 0.3414-0.0000 ( 19234 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.1605 -11.1605 -10.9251 -10.9251 -10.8531 -10.8531 -10.7401 -10.7401 -0.4972 -0.4972 0.0077 0.0077 0.2630 0.2630 0.4411 0.4411 0.5265 0.5265 1.1035 1.1035 1.1480 1.1480 1.4968 1.4968 1.5520 1.5520 1.7865 1.7865 1.8642 1.8642 2.1788 2.1788 3.7755 3.7755 4.1410 4.1410 4.3135 4.3135 4.7328 4.7328 5.0305 5.0305 8.8681 8.8681 9.5071 9.5071 k =-0.5000 0.3536-0.0000 ( 19210 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.1592 -11.1592 -10.9264 -10.9264 -10.8531 -10.8531 -10.7402 -10.7402 -0.4951 -0.4951 0.0153 0.0153 0.2799 0.2799 0.4242 0.4242 0.5182 0.5182 1.1006 1.1006 1.1475 1.1475 1.5147 1.5147 1.5337 1.5337 1.7957 1.7957 1.8546 1.8546 2.1784 2.1784 3.7755 3.7755 4.1410 4.1410 4.3138 4.3138 4.7316 4.7316 5.0304 5.0304 8.8714 8.8714 9.5169 9.5169 k =-0.5000 0.3536-0.0000 ( 19210 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.1592 -11.1592 -10.9264 -10.9264 -10.8531 -10.8531 -10.7402 -10.7402 -0.4951 -0.4951 0.0153 0.0153 0.2799 0.2799 0.4242 0.4242 0.5182 0.5182 1.1006 1.1006 1.1475 1.1475 1.5147 1.5147 1.5337 1.5337 1.7957 1.7957 1.8546 1.8546 2.1784 2.1784 3.7755 3.7755 4.1410 4.1410 4.3138 4.3138 4.7316 4.7316 5.0304 5.0304 8.8714 8.8714 9.5169 9.5169 k =-0.4886 0.3697-0.0000 ( 19222 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.1592 -11.1592 -10.9262 -10.9262 -10.8542 -10.8542 -10.7393 -10.7393 -0.4947 -0.4947 0.0171 0.0171 0.2794 0.2794 0.4216 0.4216 0.5162 0.5162 1.1034 1.1034 1.1479 1.1479 1.5147 1.5147 1.5337 1.5337 1.7959 1.7959 1.8533 1.8533 2.1786 2.1786 3.7757 3.7757 4.1410 4.1410 4.3136 4.3136 4.7327 4.7327 5.0303 5.0303 8.8726 8.8726 9.5155 9.5155 k =-0.4773 0.3857-0.0000 ( 19228 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.1592 -11.1592 -10.9256 -10.9256 -10.8573 -10.8573 -10.7367 -10.7367 -0.4936 -0.4936 0.0225 0.0225 0.2779 0.2779 0.4139 0.4139 0.5103 0.5103 1.1111 1.1111 1.1498 1.1498 1.5144 1.5144 1.5339 1.5339 1.7967 1.7967 1.8495 1.8495 2.1793 2.1793 3.7763 3.7763 4.1410 4.1410 4.3129 4.3129 4.7357 4.7357 5.0300 5.0300 8.8760 8.8760 9.5114 9.5114 k =-0.4659 0.4018-0.0000 ( 19240 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.1593 -11.1593 -10.9246 -10.9246 -10.8621 -10.8621 -10.7327 -10.7327 -0.4918 -0.4918 0.0313 0.0313 0.2752 0.2752 0.4017 0.4017 0.5009 0.5009 1.1203 1.1203 1.1557 1.1557 1.5137 1.5137 1.5345 1.5345 1.7978 1.7978 1.8433 1.8433 2.1804 2.1804 3.7773 3.7773 4.1410 4.1410 4.3118 4.3118 4.7408 4.7408 5.0295 5.0295 8.8815 8.8815 9.5045 9.5045 k =-0.4546 0.4179-0.0000 ( 19234 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.1594 -11.1594 -10.9232 -10.9232 -10.8682 -10.8682 -10.7277 -10.7277 -0.4893 -0.4893 0.0430 0.0430 0.2713 0.2713 0.3860 0.3860 0.4885 0.4885 1.1260 1.1260 1.1699 1.1699 1.5121 1.5121 1.5358 1.5358 1.7990 1.7990 1.8352 1.8352 2.1821 2.1821 3.7786 3.7786 4.1410 4.1410 4.3102 4.3102 4.7478 4.7478 5.0288 5.0288 8.8889 8.8889 9.4947 9.4947 k =-0.4432 0.4339-0.0000 ( 19266 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.1596 -11.1596 -10.9214 -10.9214 -10.8752 -10.8752 -10.7219 -10.7219 -0.4862 -0.4862 0.0571 0.0571 0.2660 0.2660 0.3679 0.3679 0.4735 0.4735 1.1272 1.1272 1.1923 1.1923 1.5096 1.5096 1.5382 1.5382 1.7998 1.7998 1.8262 1.8262 2.1843 2.1843 3.7803 3.7803 4.1410 4.1410 4.3082 4.3082 4.7566 4.7566 5.0280 5.0280 8.8979 8.8979 9.4820 9.4820 k =-0.4318 0.4500-0.0000 ( 19264 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.1600 -11.1600 -10.9192 -10.9192 -10.8828 -10.8828 -10.7158 -10.7158 -0.4825 -0.4825 0.0723 0.0723 0.2593 0.2593 0.3490 0.3490 0.4566 0.4566 1.1261 1.1261 1.2197 1.2197 1.5062 1.5062 1.5417 1.5417 1.7976 1.7976 1.8189 1.8189 2.1870 2.1870 3.7821 3.7821 4.1410 4.1410 4.3058 4.3058 4.7669 4.7669 5.0269 5.0269 8.9082 8.9082 9.4661 9.4661 k =-0.4205 0.4661-0.0000 ( 19270 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.1606 -11.1606 -10.9166 -10.9166 -10.8907 -10.8907 -10.7094 -10.7094 -0.4785 -0.4785 0.0867 0.0867 0.2518 0.2518 0.3308 0.3308 0.4386 0.4386 1.1238 1.1238 1.2500 1.2500 1.5021 1.5021 1.5462 1.5462 1.7893 1.7893 1.8171 1.8171 2.1903 2.1903 3.7841 3.7841 4.1410 4.1410 4.3031 4.3031 4.7788 4.7788 5.0258 5.0258 8.9192 8.9192 9.4469 9.4469 k =-0.4091 0.4821-0.0000 ( 19266 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.1615 -11.1615 -10.9137 -10.9137 -10.8985 -10.8985 -10.7030 -10.7030 -0.4742 -0.4742 0.0969 0.0969 0.2457 0.2457 0.3138 0.3138 0.4209 0.4209 1.1208 1.1208 1.2819 1.2819 1.4977 1.4977 1.5515 1.5515 1.7767 1.7767 1.8192 1.8192 2.1943 2.1943 3.7862 3.7862 4.1410 4.1410 4.3000 4.3000 4.7919 4.7919 5.0245 5.0245 8.9304 8.9304 9.4239 9.4239 k =-0.3978 0.4982-0.0000 ( 19264 PWs) bands (ev): -41.9820 -41.9820 -41.9817 -41.9817 -11.1629 -11.1629 -10.9104 -10.9104 -10.9062 -10.9062 -10.6967 -10.6967 -0.4699 -0.4699 0.0982 0.0982 0.2443 0.2443 0.2977 0.2977 0.4059 0.4059 1.1174 1.1174 1.3137 1.3137 1.4938 1.4938 1.5577 1.5577 1.7625 1.7625 1.8231 1.8231 2.1988 2.1988 3.7884 3.7884 4.1409 4.1409 4.2967 4.2967 4.8061 4.8061 5.0232 5.0232 8.9413 8.9413 9.3970 9.3970 k =-0.3864 0.5142-0.0000 ( 19270 PWs) bands (ev): -41.9820 -41.9820 -41.9817 -41.9817 -11.1647 -11.1647 -10.9134 -10.9134 -10.9068 -10.9068 -10.6906 -10.6906 -0.4659 -0.4659 0.0881 0.0881 0.2480 0.2480 0.2816 0.2816 0.3975 0.3975 1.1137 1.1137 1.3437 1.3437 1.4916 1.4916 1.5648 1.5648 1.7481 1.7481 1.8280 1.8280 2.2040 2.2040 3.7905 3.7905 4.1409 4.1409 4.2931 4.2931 4.8213 4.8213 5.0218 5.0218 8.9512 8.9512 9.3656 9.3656 k =-0.3750 0.5303-0.0000 ( 19270 PWs) bands (ev): -41.9819 -41.9819 -41.9817 -41.9817 -11.1671 -11.1671 -10.9200 -10.9200 -10.9028 -10.9028 -10.6847 -10.6847 -0.4626 -0.4626 0.0681 0.0681 0.2443 0.2443 0.2729 0.2729 0.3995 0.3995 1.1098 1.1098 1.3694 1.3694 1.4928 1.4928 1.5728 1.5728 1.7341 1.7341 1.8336 1.8336 2.2099 2.2099 3.7926 3.7926 4.1409 4.1409 4.2893 4.2893 4.8371 4.8371 5.0204 5.0204 8.9595 8.9595 9.3294 9.3294 k =-0.3750 0.5303-0.0000 ( 19270 PWs) bands (ev): -41.9819 -41.9819 -41.9817 -41.9817 -11.1671 -11.1671 -10.9200 -10.9200 -10.9028 -10.9028 -10.6847 -10.6847 -0.4626 -0.4626 0.0681 0.0681 0.2443 0.2443 0.2729 0.2729 0.3995 0.3995 1.1098 1.1098 1.3694 1.3694 1.4928 1.4928 1.5728 1.5728 1.7341 1.7341 1.8336 1.8336 2.2099 2.2099 3.7926 3.7926 4.1409 4.1409 4.2893 4.2893 4.8371 4.8371 5.0204 5.0204 8.9595 8.9595 9.3294 9.3294 k =-0.3750 0.5303 0.0208 ( 19258 PWs) bands (ev): -41.9819 -41.9819 -41.9817 -41.9817 -11.1667 -11.1667 -10.9198 -10.9198 -10.9026 -10.9026 -10.6845 -10.6845 -0.4623 -0.4623 0.0683 0.0683 0.2440 0.2440 0.2725 0.2725 0.3987 0.3987 1.1093 1.1093 1.3682 1.3682 1.4909 1.4909 1.5694 1.5694 1.7329 1.7329 1.8369 1.8369 2.2070 2.2070 3.7945 3.7945 4.1405 4.1405 4.2890 4.2890 4.8369 4.8369 5.0197 5.0197 8.9631 8.9631 9.3339 9.3339 k =-0.3750 0.5303 0.0417 ( 19263 PWs) bands (ev): -41.9819 -41.9819 -41.9817 -41.9817 -11.1656 -11.1656 -10.9190 -10.9190 -10.9018 -10.9018 -10.6840 -10.6840 -0.4615 -0.4615 0.0687 0.0687 0.2432 0.2432 0.2713 0.2713 0.3961 0.3961 1.1080 1.1080 1.3644 1.3644 1.4851 1.4851 1.5600 1.5600 1.7296 1.7296 1.8461 1.8461 2.1984 2.1984 3.8000 3.8000 4.1394 4.1394 4.2882 4.2882 4.8363 4.8363 5.0177 5.0177 8.9737 8.9737 9.3475 9.3475 k =-0.3750 0.5303 0.0625 ( 19250 PWs) bands (ev): -41.9819 -41.9819 -41.9817 -41.9817 -11.1636 -11.1636 -10.9178 -10.9178 -10.9006 -10.9006 -10.6832 -10.6832 -0.4601 -0.4601 0.0693 0.0693 0.2416 0.2416 0.2693 0.2693 0.3918 0.3918 1.1057 1.1057 1.3578 1.3578 1.4753 1.4753 1.5467 1.5467 1.7242 1.7242 1.8599 1.8599 2.1844 2.1844 3.8089 3.8089 4.1376 4.1376 4.2869 4.2869 4.8351 4.8351 5.0147 5.0147 8.9908 8.9908 9.3702 9.3702 k =-0.3750 0.5303 0.0834 ( 19240 PWs) bands (ev): -41.9819 -41.9819 -41.9817 -41.9817 -11.1609 -11.1609 -10.9161 -10.9161 -10.8988 -10.8988 -10.6821 -10.6821 -0.4582 -0.4582 0.0698 0.0698 0.2393 0.2393 0.2665 0.2665 0.3860 0.3860 1.1026 1.1026 1.3480 1.3480 1.4612 1.4612 1.5319 1.5319 1.7172 1.7172 1.8763 1.8763 2.1654 2.1654 3.8208 3.8208 4.1352 4.1352 4.2851 4.2851 4.8332 4.8332 5.0111 5.0111 9.0137 9.0137 9.4021 9.4021 k =-0.3750 0.5303 0.1042 ( 19244 PWs) bands (ev): -41.9819 -41.9819 -41.9817 -41.9817 -11.1574 -11.1574 -10.9139 -10.9139 -10.8966 -10.8966 -10.6806 -10.6806 -0.4560 -0.4560 0.0702 0.0702 0.2360 0.2360 0.2629 0.2629 0.3788 0.3788 1.0986 1.0986 1.3347 1.3347 1.4430 1.4430 1.5174 1.5174 1.7088 1.7088 1.8942 1.8942 2.1421 2.1421 3.8354 3.8354 4.1321 4.1321 4.2827 4.2827 4.8303 4.8303 5.0074 5.0074 9.0411 9.0411 9.4433 9.4433 k =-0.3750 0.5303 0.1251 ( 19246 PWs) bands (ev): -41.9819 -41.9819 -41.9817 -41.9817 -11.1532 -11.1532 -10.9113 -10.9113 -10.8938 -10.8938 -10.6789 -10.6789 -0.4533 -0.4533 0.0701 0.0701 0.2313 0.2313 0.2585 0.2585 0.3705 0.3705 1.0938 1.0938 1.3177 1.3177 1.4215 1.4215 1.5042 1.5042 1.6993 1.6993 1.9123 1.9123 2.1151 2.1151 3.8521 3.8521 4.1285 4.1285 4.2798 4.2798 4.8262 4.8262 5.0042 5.0042 9.0717 9.0717 9.4937 9.4937 k =-0.3750 0.5303 0.1459 ( 19245 PWs) bands (ev): -41.9819 -41.9819 -41.9816 -41.9816 -11.1483 -11.1483 -10.9082 -10.9082 -10.8907 -10.8907 -10.6769 -10.6769 -0.4505 -0.4505 0.0690 0.0690 0.2249 0.2249 0.2532 0.2532 0.3616 0.3616 1.0882 1.0882 1.2973 1.2973 1.3976 1.3976 1.4927 1.4927 1.6888 1.6888 1.9298 1.9298 2.0856 2.0856 3.8703 3.8703 4.1244 4.1244 4.2765 4.2765 4.8208 4.8208 5.0020 5.0020 9.1040 9.1040 9.5530 9.5530 k =-0.3750 0.5303 0.1668 ( 19245 PWs) bands (ev): -41.9819 -41.9819 -41.9816 -41.9816 -11.1427 -11.1427 -10.9046 -10.9046 -10.8870 -10.8870 -10.6746 -10.6746 -0.4475 -0.4475 0.0666 0.0666 0.2163 0.2163 0.2469 0.2469 0.3526 0.3526 1.0816 1.0816 1.2744 1.2744 1.3724 1.3724 1.4825 1.4825 1.6773 1.6773 1.9455 1.9455 2.0551 2.0551 3.8896 3.8896 4.1200 4.1200 4.2726 4.2726 4.8141 4.8141 5.0012 5.0012 9.1364 9.1364 9.6206 9.6206 k =-0.3750 0.5303 0.1876 ( 19233 PWs) bands (ev): -41.9819 -41.9819 -41.9816 -41.9816 -11.1363 -11.1363 -10.9007 -10.9007 -10.8830 -10.8830 -10.6721 -10.6721 -0.4445 -0.4445 0.0624 0.0624 0.2053 0.2053 0.2390 0.2390 0.3447 0.3447 1.0741 1.0741 1.2499 1.2499 1.3467 1.3467 1.4733 1.4733 1.6645 1.6645 1.9566 1.9566 2.0269 2.0269 3.9094 3.9094 4.1153 4.1153 4.2683 4.2683 4.8061 4.8061 5.0020 5.0020 9.1670 9.1670 9.6952 9.6952 k =-0.3750 0.5303 0.2085 ( 19248 PWs) bands (ev): -41.9819 -41.9819 -41.9816 -41.9816 -11.1294 -11.1294 -10.8963 -10.8963 -10.8785 -10.8785 -10.6693 -10.6693 -0.4418 -0.4418 0.0558 0.0558 0.1915 0.1915 0.2286 0.2286 0.3390 0.3390 1.0654 1.0654 1.2249 1.2249 1.3216 1.3216 1.4644 1.4644 1.6503 1.6503 1.9545 1.9545 2.0105 2.0105 3.9294 3.9294 4.1104 4.1104 4.2635 4.2635 4.7974 4.7974 5.0045 5.0045 9.1943 9.1943 9.7713 9.7714 k =-0.3750 0.5303 0.2293 ( 19258 PWs) bands (ev): -41.9819 -41.9819 -41.9816 -41.9816 -11.1217 -11.1217 -10.8915 -10.8915 -10.8736 -10.8736 -10.6663 -10.6663 -0.4395 -0.4395 0.0465 0.0465 0.1748 0.1748 0.2149 0.2149 0.3364 0.3364 1.0555 1.0555 1.2004 1.2004 1.2981 1.2981 1.4554 1.4554 1.6346 1.6346 1.9333 1.9333 2.0125 2.0125 3.9490 3.9490 4.1054 4.1054 4.2583 4.2583 4.7883 4.7883 5.0085 5.0085 9.2162 9.2162 9.7760 9.7760 k =-0.3750 0.5303 0.2502 ( 19266 PWs) bands (ev): -41.9819 -41.9819 -41.9816 -41.9816 -11.1135 -11.1135 -10.8864 -10.8864 -10.8684 -10.8684 -10.6632 -10.6632 -0.4378 -0.4378 0.0339 0.0339 0.1552 0.1552 0.1978 0.1978 0.3374 0.3374 1.0446 1.0446 1.1772 1.1772 1.2770 1.2770 1.4455 1.4455 1.6174 1.6174 1.9049 1.9049 2.0217 2.0217 3.9679 3.9679 4.1005 4.1005 4.2528 4.2528 4.7793 4.7793 5.0138 5.0138 9.2311 9.2311 9.7666 9.7666 k =-0.3750 0.5303 0.2710 ( 19246 PWs) bands (ev): -41.9818 -41.9818 -41.9816 -41.9816 -11.1048 -11.1048 -10.8810 -10.8810 -10.8628 -10.8628 -10.6598 -10.6598 -0.4370 -0.4370 0.0180 0.0180 0.1326 0.1326 0.1772 0.1772 0.3422 0.3422 1.0327 1.0327 1.1559 1.1559 1.2587 1.2587 1.4340 1.4340 1.5993 1.5993 1.8760 1.8760 2.0320 2.0320 3.9858 3.9858 4.0957 4.0957 4.2469 4.2469 4.7709 4.7709 5.0203 5.0203 9.2375 9.2375 9.7487 9.7487 k =-0.3750 0.5303 0.2919 ( 19241 PWs) bands (ev): -41.9818 -41.9818 -41.9816 -41.9816 -11.0955 -11.0955 -10.8752 -10.8752 -10.8569 -10.8569 -10.6564 -10.6564 -0.4375 -0.4375 -0.0013 -0.0013 0.1070 0.1070 0.1537 0.1537 0.3502 0.3502 1.0203 1.0203 1.1370 1.1370 1.2436 1.2436 1.4203 1.4203 1.5808 1.5808 1.8486 1.8486 2.0418 2.0418 4.0024 4.0024 4.0913 4.0913 4.2408 4.2408 4.7636 4.7636 5.0276 5.0276 9.2341 9.2341 9.7230 9.7230 k =-0.3750 0.5303 0.3127 ( 19254 PWs) bands (ev): -41.9818 -41.9818 -41.9816 -41.9816 -11.0857 -11.0857 -10.8691 -10.8691 -10.8508 -10.8508 -10.6528 -10.6528 -0.4395 -0.4395 -0.0241 -0.0241 0.0786 0.0786 0.1279 0.1279 0.3612 0.3612 1.0080 1.0080 1.1208 1.1208 1.2315 1.2315 1.4040 1.4040 1.5629 1.5629 1.8230 1.8230 2.0505 2.0505 4.0172 4.0172 4.0875 4.0875 4.2344 4.2344 4.7576 4.7576 5.0356 5.0356 9.2203 9.2203 9.6906 9.6906 k =-0.3750 0.5303 0.3336 ( 19247 PWs) bands (ev): -41.9818 -41.9818 -41.9815 -41.9815 -11.0755 -11.0755 -10.8628 -10.8628 -10.8444 -10.8444 -10.6492 -10.6492 -0.4435 -0.4435 -0.0500 -0.0500 0.0474 0.0474 0.1004 0.1004 0.3746 0.3746 0.9963 0.9963 1.1076 1.1076 1.2218 1.2218 1.3852 1.3852 1.5461 1.5461 1.7994 1.7994 2.0579 2.0579 4.0297 4.0297 4.0848 4.0848 4.2280 4.2280 4.7532 4.7532 5.0440 5.0440 9.1963 9.1963 9.6525 9.6525 k =-0.3750 0.5303 0.3544 ( 19245 PWs) bands (ev): -41.9818 -41.9818 -41.9815 -41.9815 -11.0648 -11.0648 -10.8563 -10.8563 -10.8378 -10.8378 -10.6455 -10.6455 -0.4499 -0.4499 -0.0786 -0.0786 0.0138 0.0138 0.0717 0.0717 0.3901 0.3901 0.9858 0.9858 1.0973 1.0973 1.2139 1.2139 1.3645 1.3645 1.5310 1.5310 1.7775 1.7775 2.0640 2.0640 4.0390 4.0390 4.0840 4.0840 4.2216 4.2216 4.7507 4.7507 5.0527 5.0527 9.1628 9.1628 9.6100 9.6100 k =-0.3750 0.5303 0.3752 ( 19241 PWs) bands (ev): -41.9818 -41.9818 -41.9815 -41.9815 -11.0539 -11.0539 -10.8495 -10.8495 -10.8310 -10.8310 -10.6419 -10.6419 -0.4592 -0.4592 -0.1093 -0.1093 -0.0221 -0.0221 0.0423 0.0423 0.4074 0.4074 0.9768 0.9768 1.0899 1.0899 1.2069 1.2069 1.3436 1.3436 1.5173 1.5173 1.7571 1.7571 2.0688 2.0688 4.0444 4.0444 4.0858 4.0858 4.2152 4.2152 4.7501 4.7501 5.0616 5.0616 9.1211 9.1211 9.5642 9.5642 k =-0.3750 0.5303 0.3961 ( 19244 PWs) bands (ev): -41.9818 -41.9818 -41.9815 -41.9815 -11.0426 -11.0426 -10.8426 -10.8426 -10.8241 -10.8241 -10.6382 -10.6382 -0.4717 -0.4717 -0.1414 -0.1414 -0.0601 -0.0601 0.0126 0.0126 0.4263 0.4263 0.9697 0.9697 1.0854 1.0854 1.1995 1.1995 1.3241 1.3241 1.5047 1.5047 1.7378 1.7378 2.0722 2.0722 4.0460 4.0460 4.0900 4.0900 4.2091 4.2091 4.7516 4.7516 5.0704 5.0704 9.0728 9.0728 9.5160 9.5160 k =-0.3750 0.5303 0.4169 ( 19254 PWs) bands (ev): -41.9817 -41.9817 -41.9815 -41.9815 -11.0311 -11.0311 -10.8355 -10.8355 -10.8170 -10.8170 -10.6346 -10.6346 -0.4880 -0.4880 -0.1740 -0.1740 -0.0996 -0.0996 -0.0173 -0.0173 0.4466 0.4466 0.9646 0.9646 1.0834 1.0834 1.1907 1.1907 1.3081 1.3081 1.4928 1.4928 1.7194 1.7194 2.0741 2.0741 4.0451 4.0451 4.0951 4.0951 4.2034 4.2034 4.7550 4.7550 5.0791 5.0791 9.0195 9.0195 9.4664 9.4664 k =-0.3750 0.5303 0.4378 ( 19241 PWs) bands (ev): -41.9817 -41.9817 -41.9815 -41.9815 -11.0194 -11.0194 -10.8283 -10.8283 -10.8099 -10.8099 -10.6310 -10.6310 -0.5082 -0.5082 -0.2063 -0.2063 -0.1403 -0.1403 -0.0472 -0.0472 0.4681 0.4681 0.9615 0.9615 1.0836 1.0836 1.1799 1.1799 1.2970 1.2970 1.4810 1.4810 1.7018 1.7018 2.0747 2.0747 4.0429 4.0429 4.1000 4.1000 4.1983 4.1983 4.7604 4.7604 5.0876 5.0876 8.9625 8.9625 9.4161 9.4161 k =-0.3750 0.5303 0.4586 ( 19237 PWs) bands (ev): -41.9817 -41.9817 -41.9814 -41.9814 -11.0077 -11.0077 -10.8210 -10.8210 -10.8028 -10.8028 -10.6276 -10.6276 -0.5325 -0.5325 -0.2378 -0.2378 -0.1816 -0.1816 -0.0769 -0.0769 0.4906 0.4906 0.9603 0.9603 1.0855 1.0855 1.1676 1.1676 1.2911 1.2911 1.4691 1.4691 1.6847 1.6847 2.0739 2.0739 4.0401 4.0401 4.1038 4.1038 4.1938 4.1938 4.7677 4.7677 5.0958 5.0958 8.9033 8.9033 9.3657 9.3657 k =-0.3750 0.5303 0.4795 ( 19237 PWs) bands (ev): -41.9817 -41.9817 -41.9814 -41.9814 -10.9958 -10.9958 -10.8137 -10.8137 -10.7957 -10.7957 -10.6244 -10.6244 -0.5607 -0.5607 -0.2684 -0.2684 -0.2226 -0.2226 -0.1066 -0.1066 0.5139 0.5139 0.9611 0.9611 1.0885 1.0885 1.1550 1.1550 1.2896 1.2896 1.4570 1.4570 1.6682 1.6682 2.0717 2.0717 4.0371 4.0371 4.1063 4.1063 4.1902 4.1902 4.7767 4.7767 5.1035 5.1035 8.8430 8.8430 9.3159 9.3159 k =-0.3750 0.5303 0.5003 ( 19237 PWs) bands (ev): -41.9817 -41.9817 -41.9814 -41.9814 -10.9840 -10.9840 -10.8064 -10.8064 -10.7886 -10.7886 -10.6213 -10.6213 -0.5922 -0.5922 -0.2986 -0.2986 -0.2623 -0.2623 -0.1362 -0.1362 0.5381 0.5381 0.9637 0.9637 1.0916 1.0916 1.1440 1.1440 1.2916 1.2916 1.4445 1.4445 1.6522 1.6522 2.0682 2.0682 4.0340 4.0340 4.1072 4.1072 4.1874 4.1874 4.7874 4.7874 5.1107 5.1107 8.7824 8.7824 9.2671 9.2671 k =-0.3750 0.5303 0.5212 ( 19221 PWs) bands (ev): -41.9817 -41.9817 -41.9814 -41.9814 -10.9722 -10.9722 -10.7991 -10.7991 -10.7817 -10.7817 -10.6184 -10.6184 -0.6264 -0.6264 -0.3302 -0.3302 -0.2986 -0.2986 -0.1655 -0.1655 0.5628 0.5628 0.9679 0.9679 1.0934 1.0934 1.1366 1.1366 1.2961 1.2961 1.4316 1.4316 1.6365 1.6365 2.0633 2.0633 4.0309 4.0309 4.1068 4.1068 4.1854 4.1854 4.7994 4.7994 5.1174 5.1174 8.7225 8.7225 9.2196 9.2196 k =-0.3750 0.5303 0.5420 ( 19223 PWs) bands (ev): -41.9816 -41.9816 -41.9814 -41.9814 -10.9606 -10.9606 -10.7919 -10.7919 -10.7748 -10.7748 -10.6157 -10.6157 -0.6625 -0.6625 -0.3650 -0.3650 -0.3294 -0.3294 -0.1946 -0.1946 0.5881 0.5881 0.9737 0.9737 1.0928 1.0928 1.1344 1.1344 1.3022 1.3022 1.4186 1.4186 1.6211 1.6211 2.0573 2.0573 4.0278 4.0278 4.1052 4.1052 4.1840 4.1840 4.8128 4.8128 5.1235 5.1235 8.6637 8.6637 9.1739 9.1739 k =-0.3750 0.5303 0.5629 ( 19245 PWs) bands (ev): -41.9816 -41.9816 -41.9814 -41.9814 -10.9492 -10.9492 -10.7847 -10.7847 -10.7682 -10.7682 -10.6133 -10.6133 -0.6995 -0.6995 -0.4021 -0.4021 -0.3555 -0.3555 -0.2234 -0.2234 0.6137 0.6137 0.9809 0.9809 1.0901 1.0901 1.1368 1.1368 1.3091 1.3091 1.4059 1.4059 1.6061 1.6061 2.0499 2.0499 4.0248 4.0248 4.1027 4.1027 4.1829 4.1829 4.8272 4.8272 5.1290 5.1290 8.6067 8.6067 9.1302 9.1302 k =-0.3750 0.5303 0.5837 ( 19233 PWs) bands (ev): -41.9816 -41.9816 -41.9814 -41.9814 -10.9380 -10.9380 -10.7777 -10.7777 -10.7618 -10.7618 -10.6112 -10.6112 -0.7368 -0.7368 -0.4395 -0.4395 -0.3785 -0.3785 -0.2518 -0.2518 0.6396 0.6396 0.9893 0.9893 1.0873 1.0873 1.1418 1.1418 1.3157 1.3157 1.3944 1.3944 1.5914 1.5914 2.0415 2.0415 4.0219 4.0219 4.0997 4.0997 4.1821 4.1821 4.8425 4.8425 5.1337 5.1337 8.5519 8.5519 9.0887 9.0887 k =-0.3750 0.5303 0.6046 ( 19236 PWs) bands (ev): -41.9816 -41.9816 -41.9813 -41.9813 -10.9273 -10.9273 -10.7708 -10.7708 -10.7556 -10.7556 -10.6093 -10.6093 -0.7736 -0.7736 -0.4761 -0.4761 -0.3996 -0.3996 -0.2795 -0.2795 0.6656 0.6656 0.9985 0.9985 1.0856 1.0856 1.1479 1.1479 1.3200 1.3200 1.3859 1.3859 1.5770 1.5770 2.0320 2.0320 4.0191 4.0191 4.0963 4.0963 4.1813 4.1813 4.8585 4.8585 5.1378 5.1378 8.4996 8.4996 9.0497 9.0497 k =-0.3750 0.5303 0.6254 ( 19252 PWs) bands (ev): -41.9816 -41.9816 -41.9813 -41.9813 -10.9170 -10.9170 -10.7641 -10.7641 -10.7497 -10.7497 -10.6077 -10.6077 -0.8094 -0.8094 -0.5111 -0.5111 -0.4190 -0.4190 -0.3066 -0.3066 0.6917 0.6917 1.0083 1.0083 1.0856 1.0856 1.1542 1.1542 1.3194 1.3194 1.3827 1.3827 1.5630 1.5630 2.0215 2.0215 4.0164 4.0164 4.0927 4.0927 4.1804 4.1804 4.8748 4.8748 5.1411 5.1411 8.4503 8.4503 9.0132 9.0132 k =-0.3750 0.5303 0.6463 ( 19244 PWs) bands (ev): -41.9816 -41.9816 -41.9813 -41.9813 -10.9072 -10.9072 -10.7576 -10.7576 -10.7441 -10.7441 -10.6064 -10.6064 -0.8437 -0.8437 -0.5443 -0.5443 -0.4369 -0.4369 -0.3327 -0.3327 0.7177 0.7177 1.0182 1.0182 1.0876 1.0876 1.1603 1.1603 1.3131 1.3131 1.3855 1.3855 1.5498 1.5498 2.0101 2.0101 4.0139 4.0139 4.0892 4.0892 4.1793 4.1793 4.8914 4.8914 5.1436 5.1436 8.4041 8.4041 8.9794 8.9794 k =-0.3750 0.5303 0.6671 ( 19263 PWs) bands (ev): -41.9816 -41.9816 -41.9813 -41.9813 -10.8979 -10.8979 -10.7514 -10.7514 -10.7389 -10.7389 -10.6054 -10.6054 -0.8761 -0.8761 -0.5753 -0.5753 -0.4533 -0.4533 -0.3577 -0.3577 0.7435 0.7435 1.0276 1.0276 1.0917 1.0917 1.1660 1.1660 1.3029 1.3029 1.3916 1.3916 1.5379 1.5379 1.9981 1.9981 4.0114 4.0114 4.0858 4.0858 4.1782 4.1782 4.9080 4.9080 5.1454 5.1454 8.3613 8.3613 8.9484 8.9484 k =-0.3750 0.5303 0.6880 ( 19256 PWs) bands (ev): -41.9816 -41.9816 -41.9813 -41.9813 -10.8894 -10.8894 -10.7455 -10.7455 -10.7341 -10.7341 -10.6047 -10.6047 -0.9063 -0.9063 -0.6039 -0.6039 -0.4681 -0.4681 -0.3814 -0.3814 0.7689 0.7689 1.0359 1.0359 1.0977 1.0977 1.1713 1.1713 1.2914 1.2914 1.3979 1.3979 1.5281 1.5281 1.9855 1.9855 4.0091 4.0091 4.0827 4.0827 4.1769 4.1769 4.9244 4.9244 5.1464 5.1464 8.3221 8.3221 8.9203 8.9203 k =-0.3750 0.5303 0.7088 ( 19262 PWs) bands (ev): -41.9815 -41.9815 -41.9813 -41.9813 -10.8815 -10.8815 -10.7399 -10.7399 -10.7296 -10.7296 -10.6042 -10.6042 -0.9339 -0.9339 -0.6299 -0.6299 -0.4812 -0.4812 -0.4036 -0.4036 0.7938 0.7938 1.0426 1.0426 1.1052 1.1052 1.1763 1.1763 1.2798 1.2798 1.4019 1.4019 1.5217 1.5217 1.9727 1.9727 4.0070 4.0070 4.0798 4.0798 4.1755 4.1755 4.9402 4.9402 5.1467 5.1467 8.2866 8.2866 8.8951 8.8951 k =-0.3750 0.5303 0.7297 ( 19247 PWs) bands (ev): -41.9815 -41.9815 -41.9813 -41.9813 -10.8744 -10.8744 -10.7348 -10.7348 -10.7257 -10.7257 -10.6039 -10.6039 -0.9588 -0.9588 -0.6532 -0.6532 -0.4925 -0.4925 -0.4242 -0.4242 0.8180 0.8180 1.0474 1.0474 1.1134 1.1134 1.1814 1.1814 1.2693 1.2693 1.4016 1.4016 1.5197 1.5197 1.9598 1.9598 4.0050 4.0050 4.0772 4.0772 4.1741 4.1741 4.9554 4.9554 5.1464 5.1464 8.2550 8.2550 8.8729 8.8729 k =-0.3750 0.5303 0.7505 ( 19253 PWs) bands (ev): -41.9815 -41.9815 -41.9813 -41.9813 -10.8682 -10.8682 -10.7302 -10.7302 -10.7222 -10.7222 -10.6038 -10.6038 -0.9807 -0.9807 -0.6736 -0.6736 -0.5020 -0.5020 -0.4430 -0.4430 0.8414 0.8414 1.0503 1.0503 1.1208 1.1208 1.1871 1.1871 1.2607 1.2607 1.3963 1.3963 1.5222 1.5222 1.9472 1.9472 4.0033 4.0033 4.0749 4.0749 4.1727 4.1727 4.9696 4.9696 5.1454 5.1454 8.2274 8.2274 8.8536 8.8536 k =-0.3750 0.5303 0.7713 ( 19258 PWs) bands (ev): -41.9815 -41.9815 -41.9813 -41.9813 -10.8628 -10.8628 -10.7261 -10.7261 -10.7192 -10.7192 -10.6039 -10.6039 -0.9994 -0.9994 -0.6911 -0.6911 -0.5095 -0.5095 -0.4598 -0.4598 0.8635 0.8635 1.0510 1.0510 1.1265 1.1265 1.1941 1.1941 1.2547 1.2547 1.3868 1.3868 1.5281 1.5281 1.9353 1.9353 4.0018 4.0018 4.0730 4.0730 4.1714 4.1714 4.9826 4.9826 5.1439 5.1439 8.2038 8.2038 8.8373 8.8373 k =-0.3750 0.5303 0.7922 ( 19256 PWs) bands (ev): -41.9815 -41.9815 -41.9813 -41.9813 -10.8583 -10.8583 -10.7226 -10.7226 -10.7168 -10.7168 -10.6041 -10.6041 -1.0150 -1.0150 -0.7055 -0.7055 -0.5150 -0.5150 -0.4745 -0.4745 0.8840 0.8840 1.0495 1.0495 1.1299 1.1299 1.2017 1.2017 1.2521 1.2521 1.3744 1.3744 1.5357 1.5357 1.9245 1.9245 4.0005 4.0005 4.0714 4.0714 4.1703 4.1703 4.9939 4.9939 5.1421 5.1421 8.1845 8.1845 8.8240 8.8240 k =-0.3750 0.5303 0.8130 ( 19262 PWs) bands (ev): -41.9815 -41.9815 -41.9813 -41.9813 -10.8548 -10.8548 -10.7198 -10.7198 -10.7148 -10.7148 -10.6042 -10.6042 -1.0272 -1.0272 -0.7167 -0.7167 -0.5184 -0.5184 -0.4870 -0.4870 0.9022 0.9022 1.0462 1.0462 1.1315 1.1315 1.2085 1.2085 1.2537 1.2537 1.3607 1.3607 1.5432 1.5432 1.9153 1.9153 3.9995 3.9995 4.0701 4.0701 4.1694 4.1694 5.0034 5.0034 5.1402 5.1402 8.1693 8.1693 8.8137 8.8137 k =-0.3750 0.5303 0.8339 ( 19248 PWs) bands (ev): -41.9815 -41.9815 -41.9813 -41.9813 -10.8523 -10.8523 -10.7177 -10.7177 -10.7134 -10.7134 -10.6044 -10.6044 -1.0359 -1.0359 -0.7248 -0.7248 -0.5198 -0.5198 -0.4970 -0.4970 0.9172 0.9172 1.0418 1.0418 1.1322 1.1322 1.2130 1.2130 1.2592 1.2592 1.3472 1.3472 1.5494 1.5494 1.9082 1.9082 3.9988 3.9988 4.0692 4.0692 4.1686 4.1686 5.0105 5.0105 5.1386 5.1386 8.1585 8.1585 8.8063 8.8063 k =-0.3750 0.5303 0.8547 ( 19254 PWs) bands (ev): -41.9815 -41.9815 -41.9813 -41.9813 -10.8508 -10.8508 -10.7165 -10.7165 -10.7126 -10.7126 -10.6046 -10.6046 -1.0412 -1.0412 -0.7297 -0.7297 -0.5196 -0.5196 -0.5041 -0.5041 0.9274 0.9274 1.0379 1.0379 1.1323 1.1323 1.2151 1.2151 1.2661 1.2661 1.3363 1.3363 1.5535 1.5535 1.9038 1.9038 3.9984 3.9984 4.0687 4.0687 4.1682 4.1682 5.0150 5.0150 5.1374 5.1374 8.1520 8.1520 8.8019 8.8019 k =-0.3750 0.5303 0.8756 ( 19260 PWs) bands (ev): -41.9815 -41.9815 -41.9813 -41.9813 -10.8503 -10.8503 -10.7161 -10.7161 -10.7123 -10.7123 -10.6046 -10.6046 -1.0430 -1.0430 -0.7313 -0.7313 -0.5191 -0.5191 -0.5070 -0.5070 0.9311 0.9311 1.0363 1.0363 1.1324 1.1324 1.2157 1.2157 1.2695 1.2695 1.3317 1.3317 1.5550 1.5550 1.9023 1.9023 3.9982 3.9982 4.0685 4.0685 4.1681 4.1681 5.0166 5.0166 5.1370 5.1370 8.1498 8.1498 8.8004 8.8004 k =-0.3750 0.5303 0.8756 ( 19260 PWs) bands (ev): -41.9815 -41.9815 -41.9813 -41.9813 -10.8503 -10.8503 -10.7161 -10.7161 -10.7123 -10.7123 -10.6046 -10.6046 -1.0430 -1.0430 -0.7313 -0.7313 -0.5191 -0.5191 -0.5070 -0.5070 0.9311 0.9311 1.0363 1.0363 1.1324 1.1324 1.2157 1.2157 1.2695 1.2695 1.3317 1.3317 1.5550 1.5550 1.9023 1.9023 3.9982 3.9982 4.0685 4.0685 4.1681 4.1681 5.0166 5.0166 5.1370 5.1370 8.1498 8.1498 8.8004 8.8004 k =-0.3864 0.5142 0.8756 ( 19252 PWs) bands (ev): -41.9815 -41.9815 -41.9812 -41.9812 -10.8529 -10.8529 -10.7168 -10.7168 -10.7131 -10.7131 -10.5997 -10.5997 -1.0553 -1.0553 -0.7428 -0.7428 -0.5378 -0.5378 -0.5228 -0.5228 0.9364 0.9364 1.0402 1.0402 1.1487 1.1487 1.2267 1.2267 1.2775 1.2775 1.3373 1.3373 1.5992 1.5992 1.9196 1.9196 3.9983 3.9983 4.0654 4.0654 4.1670 4.1670 5.0298 5.0298 5.1450 5.1450 8.1033 8.1033 8.7108 8.7108 k =-0.3978 0.4982 0.8756 ( 19264 PWs) bands (ev): -41.9815 -41.9815 -41.9812 -41.9812 -10.8554 -10.8554 -10.7209 -10.7209 -10.7104 -10.7104 -10.5952 -10.5952 -1.0667 -1.0667 -0.7533 -0.7533 -0.5553 -0.5553 -0.5374 -0.5374 0.9411 0.9411 1.0437 1.0437 1.1622 1.1622 1.2357 1.2357 1.2874 1.2874 1.3426 1.3426 1.6411 1.6411 1.9362 1.9362 3.9984 3.9984 4.0626 4.0626 4.1661 4.1661 5.0430 5.0430 5.1523 5.1523 8.0607 8.0607 8.6271 8.6271 k =-0.4091 0.4821 0.8756 ( 19256 PWs) bands (ev): -41.9815 -41.9815 -41.9812 -41.9812 -10.8577 -10.8577 -10.7246 -10.7246 -10.7078 -10.7078 -10.5911 -10.5911 -1.0769 -1.0769 -0.7627 -0.7627 -0.5714 -0.5714 -0.5509 -0.5509 0.9452 0.9452 1.0469 1.0469 1.1733 1.1733 1.2429 1.2429 1.2986 1.2986 1.3476 1.3476 1.6800 1.6800 1.9518 1.9518 3.9986 3.9986 4.0599 4.0599 4.1654 4.1654 5.0559 5.0559 5.1589 5.1589 8.0220 8.0220 8.5501 8.5501 k =-0.4205 0.4661 0.8756 ( 19262 PWs) bands (ev): -41.9815 -41.9815 -41.9812 -41.9812 -10.8598 -10.8598 -10.7280 -10.7280 -10.7055 -10.7055 -10.5874 -10.5874 -1.0860 -1.0860 -0.7711 -0.7711 -0.5860 -0.5860 -0.5629 -0.5629 0.9488 0.9488 1.0498 1.0498 1.1822 1.1822 1.2486 1.2486 1.3104 1.3104 1.3521 1.3521 1.7149 1.7149 1.9666 1.9666 3.9989 3.9989 4.0575 4.0575 4.1647 4.1647 5.0682 5.0682 5.1649 5.1649 7.9875 7.9875 8.4804 8.4804 k =-0.4318 0.4500 0.8756 ( 19262 PWs) bands (ev): -41.9815 -41.9815 -41.9812 -41.9812 -10.8617 -10.8617 -10.7309 -10.7309 -10.7035 -10.7035 -10.5842 -10.5842 -1.0940 -1.0940 -0.7783 -0.7783 -0.5990 -0.5990 -0.5735 -0.5735 0.9520 0.9520 1.0524 1.0524 1.1894 1.1894 1.2531 1.2531 1.3221 1.3221 1.3563 1.3563 1.7455 1.7455 1.9804 1.9804 3.9992 3.9992 4.0555 4.0555 4.1642 4.1642 5.0795 5.0795 5.1701 5.1701 7.9573 7.9573 8.4185 8.4185 k =-0.4432 0.4339 0.8756 ( 19250 PWs) bands (ev): -41.9815 -41.9815 -41.9812 -41.9812 -10.8632 -10.8632 -10.7334 -10.7334 -10.7017 -10.7017 -10.5814 -10.5814 -1.1008 -1.1008 -0.7845 -0.7845 -0.6101 -0.6101 -0.5827 -0.5827 0.9546 0.9546 1.0547 1.0547 1.1952 1.1952 1.2566 1.2566 1.3328 1.3328 1.3599 1.3599 1.7714 1.7714 1.9929 1.9929 3.9996 3.9996 4.0537 4.0537 4.1638 4.1638 5.0896 5.0896 5.1747 5.1747 7.9315 7.9315 8.3651 8.3651 k =-0.4546 0.4179 0.8756 ( 19254 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8646 -10.8646 -10.7354 -10.7354 -10.7002 -10.7002 -10.5791 -10.5791 -1.1064 -1.1064 -0.7896 -0.7896 -0.6194 -0.6194 -0.5902 -0.5902 0.9568 0.9568 1.0566 1.0566 1.1997 1.1997 1.2593 1.2593 1.3421 1.3421 1.3629 1.3629 1.7924 1.7924 2.0040 2.0040 3.9999 3.9999 4.0523 4.0523 4.1634 4.1634 5.0982 5.0982 5.1786 5.1786 7.9102 7.9102 8.3207 8.3207 k =-0.4659 0.4018 0.8756 ( 19254 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8656 -10.8656 -10.7370 -10.7370 -10.6991 -10.6991 -10.5773 -10.5773 -1.1108 -1.1108 -0.7936 -0.7936 -0.6267 -0.6267 -0.5962 -0.5962 0.9585 0.9585 1.0581 1.0581 1.2031 1.2031 1.2613 1.2613 1.3497 1.3497 1.3653 1.3653 1.8085 1.8085 2.0132 2.0132 4.0001 4.0001 4.0512 4.0512 4.1632 4.1632 5.1051 5.1051 5.1816 5.1816 7.8936 7.8936 8.2856 8.2856 k =-0.4773 0.3857 0.8756 ( 19248 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8664 -10.8664 -10.7382 -10.7382 -10.6982 -10.6982 -10.5760 -10.5760 -1.1139 -1.1139 -0.7964 -0.7964 -0.6320 -0.6320 -0.6004 -0.6004 0.9597 0.9597 1.0592 1.0592 1.2054 1.2054 1.2627 1.2627 1.3553 1.3553 1.3670 1.3670 1.8199 1.8199 2.0202 2.0202 4.0003 4.0003 4.0504 4.0504 4.1630 4.1630 5.1102 5.1102 5.1839 5.1839 7.8817 7.8817 8.2603 8.2603 k =-0.4886 0.3697 0.8756 ( 19252 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8668 -10.8668 -10.7389 -10.7389 -10.6977 -10.6977 -10.5753 -10.5753 -1.1158 -1.1158 -0.7981 -0.7981 -0.6352 -0.6352 -0.6030 -0.6030 0.9604 0.9604 1.0599 1.0599 1.2069 1.2069 1.2635 1.2635 1.3587 1.3587 1.3680 1.3680 1.8266 1.8266 2.0245 2.0245 4.0004 4.0004 4.0499 4.0499 4.1629 4.1629 5.1132 5.1132 5.1853 5.1853 7.8746 7.8746 8.2450 8.2450 k =-0.5000 0.3536 0.8756 ( 19260 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8670 -10.8670 -10.7391 -10.7391 -10.6976 -10.6976 -10.5750 -10.5750 -1.1164 -1.1164 -0.7987 -0.7987 -0.6362 -0.6362 -0.6038 -0.6038 0.9607 0.9607 1.0601 1.0601 1.2073 1.2073 1.2638 1.2638 1.3598 1.3598 1.3684 1.3684 1.8289 1.8289 2.0260 2.0260 4.0005 4.0005 4.0498 4.0498 4.1629 4.1629 5.1143 5.1143 5.1857 5.1857 7.8722 7.8722 8.2399 8.2399 k =-0.5000 0.3536 0.8756 ( 19260 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8670 -10.8670 -10.7391 -10.7391 -10.6976 -10.6976 -10.5750 -10.5750 -1.1164 -1.1164 -0.7987 -0.7987 -0.6362 -0.6362 -0.6038 -0.6038 0.9607 0.9607 1.0601 1.0601 1.2073 1.2073 1.2638 1.2638 1.3598 1.3598 1.3684 1.3684 1.8289 1.8289 2.0260 2.0260 4.0005 4.0005 4.0498 4.0498 4.1629 4.1629 5.1143 5.1143 5.1857 5.1857 7.8722 7.8722 8.2399 8.2399 k =-0.5000 0.3536 0.8547 ( 19280 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8674 -10.8674 -10.7394 -10.7394 -10.6978 -10.6978 -10.5752 -10.5752 -1.1146 -1.1146 -0.7970 -0.7970 -0.6352 -0.6352 -0.6027 -0.6027 0.9601 0.9601 1.0594 1.0594 1.2070 1.2070 1.2630 1.2630 1.3604 1.3604 1.3684 1.3684 1.8288 1.8288 2.0259 2.0259 4.0008 4.0008 4.0498 4.0498 4.1629 4.1629 5.1134 5.1134 5.1852 5.1852 7.8748 7.8748 8.2422 8.2422 k =-0.5000 0.3536 0.8339 ( 19264 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8688 -10.8688 -10.7402 -10.7402 -10.6985 -10.6985 -10.5759 -10.5759 -1.1091 -1.1091 -0.7921 -0.7921 -0.6321 -0.6321 -0.5993 -0.5993 0.9581 0.9581 1.0575 1.0575 1.2059 1.2059 1.2606 1.2606 1.3609 1.3609 1.3695 1.3695 1.8287 1.8287 2.0256 2.0256 4.0019 4.0019 4.0499 4.0499 4.1631 4.1631 5.1109 5.1109 5.1837 5.1837 7.8825 7.8825 8.2490 8.2490 k =-0.5000 0.3536 0.8130 ( 19264 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8711 -10.8711 -10.7416 -10.7416 -10.6996 -10.6996 -10.5769 -10.5769 -1.1001 -1.1001 -0.7839 -0.7839 -0.6269 -0.6269 -0.5937 -0.5937 0.9550 0.9550 1.0544 1.0544 1.2040 1.2040 1.2570 1.2570 1.3592 1.3592 1.3738 1.3738 1.8285 1.8285 2.0251 2.0251 4.0036 4.0036 4.0502 4.0502 4.1634 4.1634 5.1067 5.1067 5.1811 5.1811 7.8954 7.8954 8.2603 8.2603 k =-0.5000 0.3536 0.7922 ( 19244 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8743 -10.8743 -10.7435 -10.7435 -10.7012 -10.7012 -10.5784 -10.5784 -1.0875 -1.0875 -0.7725 -0.7725 -0.6198 -0.6198 -0.5858 -0.5858 0.9506 0.9506 1.0503 1.0503 1.2013 1.2013 1.2523 1.2523 1.3556 1.3556 1.3808 1.3808 1.8281 1.8281 2.0244 2.0244 4.0059 4.0059 4.0506 4.0506 4.1638 4.1638 5.1009 5.1009 5.1776 5.1776 7.9134 7.9134 8.2761 8.2761 k =-0.5000 0.3536 0.7713 ( 19264 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8783 -10.8783 -10.7459 -10.7459 -10.7032 -10.7032 -10.5804 -10.5804 -1.0715 -1.0715 -0.7579 -0.7579 -0.6107 -0.6107 -0.5759 -0.5759 0.9450 0.9450 1.0453 1.0453 1.1978 1.1978 1.2468 1.2468 1.3508 1.3508 1.3897 1.3897 1.8275 1.8275 2.0234 2.0234 4.0088 4.0088 4.0513 4.0513 4.1643 4.1643 5.0935 5.0935 5.1731 5.1731 7.9366 7.9366 8.2963 8.2963 k =-0.5000 0.3536 0.7505 ( 19264 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8832 -10.8832 -10.7488 -10.7488 -10.7056 -10.7056 -10.5827 -10.5827 -1.0521 -1.0521 -0.7402 -0.7402 -0.5997 -0.5997 -0.5640 -0.5640 0.9384 0.9384 1.0396 1.0396 1.1934 1.1934 1.2408 1.2408 1.3450 1.3450 1.4002 1.4002 1.8267 1.8267 2.0222 2.0222 4.0119 4.0119 4.0523 4.0523 4.1647 4.1647 5.0847 5.0847 5.1677 5.1677 7.9650 7.9650 8.3207 8.3207 k =-0.5000 0.3536 0.7297 ( 19256 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8888 -10.8888 -10.7522 -10.7522 -10.7084 -10.7084 -10.5854 -10.5854 -1.0295 -1.0295 -0.7195 -0.7195 -0.5869 -0.5869 -0.5502 -0.5502 0.9306 0.9306 1.0333 1.0333 1.1883 1.1883 1.2345 1.2345 1.3385 1.3385 1.4120 1.4120 1.8257 1.8257 2.0206 2.0206 4.0153 4.0153 4.0539 4.0539 4.1651 4.1651 5.0746 5.0746 5.1614 5.1614 7.9984 7.9984 8.3492 8.3492 k =-0.5000 0.3536 0.7088 ( 19244 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8952 -10.8952 -10.7561 -10.7561 -10.7116 -10.7116 -10.5886 -10.5886 -1.0038 -1.0038 -0.6957 -0.6957 -0.5724 -0.5724 -0.5346 -0.5346 0.9218 0.9218 1.0267 1.0267 1.1825 1.1825 1.2282 1.2282 1.3316 1.3316 1.4249 1.4249 1.8243 1.8243 2.0186 2.0186 4.0186 4.0186 4.0562 4.0562 4.1655 4.1655 5.0633 5.0633 5.1542 5.1542 8.0369 8.0370 8.3817 8.3817 k =-0.5000 0.3536 0.6880 ( 19222 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.9024 -10.9024 -10.7605 -10.7605 -10.7151 -10.7151 -10.5921 -10.5921 -0.9751 -0.9751 -0.6692 -0.6692 -0.5563 -0.5563 -0.5175 -0.5175 0.9120 0.9120 1.0200 1.0200 1.1763 1.1763 1.2218 1.2218 1.3245 1.3245 1.4388 1.4388 1.8226 1.8226 2.0163 2.0163 4.0217 4.0217 4.0593 4.0593 4.1657 4.1657 5.0509 5.0509 5.1462 5.1462 8.0805 8.0805 8.4179 8.4179 k =-0.5000 0.3536 0.6671 ( 19230 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.9101 -10.9101 -10.7652 -10.7652 -10.7190 -10.7190 -10.5960 -10.5960 -0.9439 -0.9439 -0.6398 -0.6398 -0.5387 -0.5387 -0.4990 -0.4990 0.9013 0.9013 1.0132 1.0132 1.1699 1.1699 1.2156 1.2156 1.3175 1.3175 1.4534 1.4534 1.8205 1.8205 2.0135 2.0135 4.0244 4.0244 4.0634 4.0634 4.1658 4.1658 5.0377 5.0377 5.1374 5.1374 8.1289 8.1289 8.4578 8.4578 k =-0.5000 0.3536 0.6463 ( 19234 PWs) bands (ev): -41.9816 -41.9816 -41.9813 -41.9813 -10.9185 -10.9185 -10.7703 -10.7703 -10.7233 -10.7233 -10.6002 -10.6002 -0.9102 -0.9102 -0.6079 -0.6079 -0.5197 -0.5197 -0.4792 -0.4792 0.8895 0.8895 1.0066 1.0066 1.1634 1.1634 1.2096 1.2096 1.3110 1.3110 1.4686 1.4686 1.8181 1.8181 2.0102 2.0102 4.0268 4.0268 4.0683 4.0683 4.1657 4.1657 5.0239 5.0239 5.1277 5.1277 8.1820 8.1820 8.5010 8.5010 k =-0.5000 0.3536 0.6254 ( 19222 PWs) bands (ev): -41.9816 -41.9816 -41.9813 -41.9813 -10.9274 -10.9274 -10.7758 -10.7758 -10.7278 -10.7278 -10.6047 -10.6047 -0.8744 -0.8744 -0.5736 -0.5736 -0.4993 -0.4993 -0.4582 -0.4582 0.8769 0.8769 1.0002 1.0002 1.1572 1.1572 1.2039 1.2039 1.3055 1.3055 1.4842 1.4842 1.8153 1.8153 2.0065 2.0065 4.0287 4.0287 4.0738 4.0738 4.1656 4.1656 5.0096 5.0096 5.1173 5.1173 8.2398 8.2398 8.5473 8.5473 k =-0.5000 0.3536 0.6046 ( 19210 PWs) bands (ev): -41.9817 -41.9817 -41.9813 -41.9813 -10.9367 -10.9367 -10.7816 -10.7816 -10.7326 -10.7326 -10.6096 -10.6096 -0.8370 -0.8370 -0.5370 -0.5370 -0.4778 -0.4778 -0.4362 -0.4362 0.8633 0.8633 0.9942 0.9942 1.1513 1.1513 1.1985 1.1985 1.3014 1.3014 1.5001 1.5001 1.8122 1.8122 2.0023 2.0023 4.0305 4.0305 4.0796 4.0796 4.1654 4.1654 4.9951 4.9951 5.1061 5.1061 8.3019 8.3019 8.5966 8.5966 k =-0.5000 0.3536 0.5837 ( 19220 PWs) bands (ev): -41.9817 -41.9817 -41.9813 -41.9813 -10.9465 -10.9465 -10.7877 -10.7877 -10.7376 -10.7376 -10.6148 -10.6148 -0.7985 -0.7985 -0.4983 -0.4983 -0.4553 -0.4553 -0.4132 -0.4132 0.8488 0.8488 0.9886 0.9886 1.1457 1.1457 1.1937 1.1937 1.2994 1.2994 1.5160 1.5160 1.8088 1.8088 1.9976 1.9976 4.0321 4.0321 4.0854 4.0854 4.1655 4.1655 4.9807 4.9807 5.0942 5.0942 8.3682 8.3682 8.6484 8.6484 k =-0.5000 0.3536 0.5629 ( 19240 PWs) bands (ev): -41.9817 -41.9817 -41.9813 -41.9813 -10.9566 -10.9566 -10.7940 -10.7940 -10.7428 -10.7428 -10.6201 -10.6201 -0.7593 -0.7593 -0.4581 -0.4581 -0.4316 -0.4316 -0.3890 -0.3890 0.8336 0.8336 0.9835 0.9835 1.1403 1.1403 1.1895 1.1895 1.3000 1.3000 1.5318 1.5318 1.8052 1.8052 1.9925 1.9925 4.0337 4.0337 4.0907 4.0907 4.1660 4.1660 4.9665 4.9665 5.0816 5.0816 8.4382 8.4382 8.7026 8.7026 k =-0.5000 0.3536 0.5420 ( 19236 PWs) bands (ev): -41.9817 -41.9817 -41.9813 -41.9813 -10.9670 -10.9670 -10.8006 -10.8006 -10.7483 -10.7483 -10.6258 -10.6258 -0.7202 -0.7202 -0.4174 -0.4174 -0.4062 -0.4062 -0.3634 -0.3634 0.8176 0.8176 0.9789 0.9789 1.1348 1.1348 1.1862 1.1862 1.3040 1.3040 1.5472 1.5472 1.8016 1.8016 1.9869 1.9869 4.0353 4.0353 4.0949 4.0949 4.1673 4.1673 4.9529 4.9529 5.0683 5.0683 8.5115 8.5115 8.7588 8.7588 k =-0.5000 0.3536 0.5212 ( 19244 PWs) bands (ev): -41.9817 -41.9817 -41.9813 -41.9813 -10.9776 -10.9776 -10.8073 -10.8073 -10.7538 -10.7538 -10.6316 -10.6316 -0.6819 -0.6819 -0.3851 -0.3851 -0.3710 -0.3710 -0.3357 -0.3357 0.8010 0.8010 0.9749 0.9749 1.1292 1.1292 1.1840 1.1840 1.3118 1.3118 1.5619 1.5619 1.7980 1.7980 1.9810 1.9810 4.0369 4.0369 4.0975 4.0975 4.1698 4.1698 4.9400 4.9400 5.0543 5.0543 8.5875 8.5875 8.8166 8.8166 k =-0.5000 0.3536 0.5003 ( 19240 PWs) bands (ev): -41.9817 -41.9817 -41.9814 -41.9814 -10.9884 -10.9884 -10.8141 -10.8141 -10.7595 -10.7595 -10.6375 -10.6375 -0.6455 -0.6455 -0.3590 -0.3590 -0.3299 -0.3299 -0.3043 -0.3043 0.7839 0.7839 0.9715 0.9715 1.1232 1.1232 1.1829 1.1829 1.3239 1.3239 1.5759 1.5759 1.7947 1.7947 1.9746 1.9746 4.0384 4.0384 4.0982 4.0982 4.1739 4.1739 4.9281 4.9281 5.0398 5.0398 8.6656 8.6656 8.8759 8.8759 k =-0.5000 0.3536 0.4795 ( 19264 PWs) bands (ev): -41.9817 -41.9817 -41.9814 -41.9814 -10.9993 -10.9993 -10.8211 -10.8211 -10.7652 -10.7652 -10.6436 -10.6436 -0.6116 -0.6116 -0.3333 -0.3333 -0.2915 -0.2915 -0.2664 -0.2664 0.7665 0.7665 0.9688 0.9688 1.1170 1.1170 1.1832 1.1832 1.3406 1.3406 1.5887 1.5887 1.7919 1.7919 1.9679 1.9679 4.0399 4.0399 4.0971 4.0971 4.1794 4.1794 4.9174 4.9174 5.0247 5.0247 8.7448 8.7448 8.9361 8.9361 k =-0.5000 0.3536 0.4586 ( 19262 PWs) bands (ev): -41.9818 -41.9818 -41.9814 -41.9814 -11.0102 -11.0102 -10.8281 -10.8281 -10.7710 -10.7710 -10.6498 -10.6498 -0.5813 -0.5813 -0.3076 -0.3076 -0.2556 -0.2556 -0.2227 -0.2227 0.7489 0.7489 0.9668 0.9668 1.1107 1.1107 1.1849 1.1849 1.3616 1.3616 1.6001 1.6001 1.7899 1.7899 1.9609 1.9609 4.0409 4.0409 4.0944 4.0944 4.1861 4.1861 4.9081 4.9081 5.0090 5.0090 8.8238 8.8238 8.9970 8.9970 k =-0.5000 0.3536 0.4378 ( 19242 PWs) bands (ev): -41.9818 -41.9818 -41.9814 -41.9814 -11.0211 -11.0211 -10.8351 -10.8351 -10.7769 -10.7769 -10.6560 -10.6560 -0.5550 -0.5550 -0.2820 -0.2820 -0.2193 -0.2193 -0.1763 -0.1763 0.7312 0.7312 0.9656 0.9656 1.1046 1.1046 1.1882 1.1882 1.3869 1.3869 1.6100 1.6100 1.7888 1.7888 1.9536 1.9536 4.0412 4.0412 4.0909 4.0909 4.1938 4.1938 4.9005 4.9005 4.9929 4.9929 8.9012 8.9012 9.0580 9.0580 k =-0.5000 0.3536 0.4169 ( 19234 PWs) bands (ev): -41.9818 -41.9818 -41.9814 -41.9814 -11.0319 -11.0319 -10.8420 -10.8420 -10.7827 -10.7827 -10.6623 -10.6623 -0.5330 -0.5330 -0.2568 -0.2568 -0.1813 -0.1813 -0.1290 -0.1290 0.7135 0.7135 0.9652 0.9652 1.0988 1.0988 1.1932 1.1932 1.4159 1.4159 1.6182 1.6182 1.7888 1.7888 1.9462 1.9462 4.0399 4.0399 4.0874 4.0874 4.2020 4.2020 4.8945 4.8945 4.9764 4.9764 8.9748 8.9748 9.1188 9.1188 k =-0.5000 0.3536 0.3961 ( 19238 PWs) bands (ev): -41.9818 -41.9818 -41.9814 -41.9814 -11.0425 -11.0425 -10.8490 -10.8490 -10.7884 -10.7884 -10.6685 -10.6685 -0.5152 -0.5152 -0.2321 -0.2321 -0.1418 -0.1418 -0.0815 -0.0815 0.6961 0.6961 0.9658 0.9658 1.0937 1.0937 1.2000 1.2000 1.4479 1.4479 1.6250 1.6250 1.7903 1.7903 1.9385 1.9385 4.0363 4.0363 4.0850 4.0850 4.2107 4.2107 4.8905 4.8905 4.9596 4.9596 9.0422 9.0422 9.1788 9.1788 k =-0.5000 0.3536 0.3752 ( 19260 PWs) bands (ev): -41.9818 -41.9818 -41.9815 -41.9815 -11.0530 -11.0530 -10.8558 -10.8558 -10.7941 -10.7941 -10.6747 -10.6747 -0.5013 -0.5013 -0.2081 -0.2081 -0.1012 -0.1012 -0.0343 -0.0343 0.6790 0.6790 0.9673 0.9673 1.0893 1.0893 1.2090 1.2090 1.4816 1.4816 1.6310 1.6310 1.7931 1.7931 1.9308 1.9308 4.0298 4.0298 4.0843 4.0843 4.2195 4.2195 4.8885 4.8885 4.9425 4.9425 9.1006 9.1006 9.2374 9.2374 k =-0.5000 0.3536 0.3544 ( 19258 PWs) bands (ev): -41.9818 -41.9818 -41.9815 -41.9815 -11.0632 -11.0632 -10.8624 -10.8624 -10.7996 -10.7996 -10.6807 -10.6807 -0.4909 -0.4909 -0.1848 -0.1848 -0.0603 -0.0603 0.0122 0.0122 0.6624 0.6624 0.9699 0.9699 1.0861 1.0861 1.2201 1.2201 1.5149 1.5149 1.6377 1.6377 1.7975 1.7975 1.9230 1.9230 4.0204 4.0204 4.0853 4.0853 4.2282 4.2282 4.8885 4.8885 4.9253 4.9253 9.1472 9.1472 9.2939 9.2939 k =-0.5000 0.3536 0.3336 ( 19266 PWs) bands (ev): -41.9819 -41.9819 -41.9815 -41.9815 -11.0730 -11.0730 -10.8689 -10.8689 -10.8051 -10.8051 -10.6867 -10.6867 -0.4835 -0.4835 -0.1625 -0.1625 -0.0199 -0.0199 0.0575 0.0575 0.6463 0.6463 0.9735 0.9735 1.0839 1.0839 1.2337 1.2337 1.5442 1.5442 1.6483 1.6483 1.8034 1.8034 1.9152 1.9152 4.0086 4.0086 4.0877 4.0877 4.2369 4.2369 4.8904 4.8904 4.9083 4.9083 9.1801 9.1801 9.3479 9.3479 k =-0.5000 0.3536 0.3127 ( 19274 PWs) bands (ev): -41.9819 -41.9819 -41.9815 -41.9815 -11.0826 -11.0826 -10.8752 -10.8752 -10.8103 -10.8103 -10.6924 -10.6924 -0.4786 -0.4786 -0.1413 -0.1413 0.0193 0.0193 0.1012 0.1012 0.6309 0.6309 0.9782 0.9782 1.0831 1.0831 1.2497 1.2497 1.5645 1.5645 1.6668 1.6668 1.8111 1.8111 1.9074 1.9074 3.9949 3.9949 4.0910 4.0910 4.2453 4.2453 4.8893 4.8893 4.8963 4.8963 9.1984 9.1984 9.3988 9.3988 k =-0.5000 0.3536 0.2919 ( 19274 PWs) bands (ev): -41.9819 -41.9819 -41.9815 -41.9815 -11.0917 -11.0917 -10.8813 -10.8813 -10.8153 -10.8153 -10.6980 -10.6980 -0.4757 -0.4757 -0.1212 -0.1212 0.0566 0.0566 0.1431 0.1431 0.6163 0.6163 0.9840 0.9840 1.0836 1.0836 1.2680 1.2680 1.5742 1.5742 1.6935 1.6935 1.8217 1.8217 1.8997 1.8997 3.9795 3.9795 4.0950 4.0950 4.2535 4.2535 4.8733 4.8733 4.9014 4.9014 9.2026 9.2026 9.4463 9.4463 k =-0.5000 0.3536 0.2710 ( 19270 PWs) bands (ev): -41.9819 -41.9819 -41.9815 -41.9815 -11.1005 -11.1005 -10.8871 -10.8871 -10.8202 -10.8202 -10.7033 -10.7033 -0.4745 -0.4745 -0.1024 -0.1024 0.0913 0.0913 0.1827 0.1827 0.6026 0.6026 0.9908 0.9908 1.0855 1.0855 1.2886 1.2886 1.5765 1.5765 1.7229 1.7229 1.8367 1.8367 1.8922 1.8922 3.9628 3.9628 4.0993 4.0993 4.2613 4.2613 4.8567 4.8567 4.9091 4.9091 9.1945 9.1945 9.4899 9.4899 k =-0.5000 0.3536 0.2502 ( 19248 PWs) bands (ev): -41.9819 -41.9819 -41.9815 -41.9815 -11.1087 -11.1087 -10.8925 -10.8925 -10.8247 -10.8247 -10.7084 -10.7084 -0.4745 -0.4745 -0.0848 -0.0848 0.1232 0.1232 0.2198 0.2198 0.5898 0.5898 0.9988 0.9988 1.0886 1.0886 1.3112 1.3112 1.5747 1.5747 1.7486 1.7486 1.8580 1.8580 1.8856 1.8856 3.9451 3.9451 4.1039 4.1039 4.2686 4.2686 4.8406 4.8406 4.9186 4.9186 9.1764 9.1764 9.5291 9.5291 k =-0.5000 0.3536 0.2293 ( 19234 PWs) bands (ev): -41.9819 -41.9819 -41.9815 -41.9815 -11.1164 -11.1164 -10.8977 -10.8977 -10.8290 -10.8290 -10.7132 -10.7132 -0.4755 -0.4755 -0.0687 -0.0687 0.1519 0.1519 0.2540 0.2540 0.5779 0.5779 1.0078 1.0078 1.0930 1.0930 1.3353 1.3353 1.5707 1.5707 1.7675 1.7675 1.8738 1.8738 1.8926 1.8926 3.9265 3.9265 4.1085 4.1085 4.2755 4.2755 4.8250 4.8250 4.9293 4.9293 9.1507 9.1507 9.5634 9.5634 k =-0.5000 0.3536 0.2085 ( 19242 PWs) bands (ev): -41.9819 -41.9819 -41.9816 -41.9816 -11.1236 -11.1236 -10.9025 -10.9025 -10.8330 -10.8330 -10.7177 -10.7177 -0.4773 -0.4773 -0.0539 -0.0539 0.1773 0.1773 0.2852 0.2852 0.5672 0.5672 1.0176 1.0176 1.0984 1.0984 1.3604 1.3604 1.5656 1.5656 1.7802 1.7802 1.8688 1.8688 1.9266 1.9266 3.9074 3.9074 4.1132 4.1132 4.2820 4.2820 4.8102 4.8102 4.9411 4.9411 9.1197 9.1197 9.5925 9.5925 k =-0.5000 0.3536 0.1876 ( 19234 PWs) bands (ev): -41.9819 -41.9819 -41.9816 -41.9816 -11.1301 -11.1301 -10.9069 -10.9069 -10.8367 -10.8367 -10.7218 -10.7218 -0.4794 -0.4794 -0.0406 -0.0406 0.1995 0.1995 0.3131 0.3131 0.5575 0.5575 1.0282 1.0282 1.1046 1.1046 1.3858 1.3858 1.5599 1.5599 1.7887 1.7887 1.8627 1.8627 1.9647 1.9647 3.8881 3.8881 4.1177 4.1177 4.2879 4.2879 4.7963 4.7963 4.9536 4.9536 9.0855 9.0855 9.6161 9.6161 k =-0.5000 0.3536 0.1668 ( 19228 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.1361 -11.1361 -10.9109 -10.9109 -10.8401 -10.8401 -10.7255 -10.7255 -0.4819 -0.4819 -0.0287 -0.0287 0.2184 0.2184 0.3377 0.3377 0.5489 0.5489 1.0393 1.0393 1.1113 1.1113 1.4108 1.4108 1.5542 1.5542 1.7946 1.7946 1.8571 1.8571 2.0031 2.0031 3.8690 3.8690 4.1220 4.1220 4.2932 4.2932 4.7835 4.7835 4.9664 4.9664 9.0498 9.0498 9.6342 9.6342 k =-0.5000 0.3536 0.1459 ( 19248 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.1414 -11.1414 -10.9144 -10.9144 -10.8431 -10.8431 -10.7289 -10.7289 -0.4844 -0.4844 -0.0183 -0.0183 0.2344 0.2344 0.3590 0.3590 0.5414 0.5414 1.0506 1.0506 1.1182 1.1182 1.4345 1.4345 1.5486 1.5486 1.7986 1.7986 1.8528 1.8528 2.0399 2.0399 3.8504 3.8504 4.1261 4.1261 4.2979 4.2979 4.7718 4.7718 4.9790 4.9790 9.0144 9.0144 9.6470 9.6470 k =-0.5000 0.3536 0.1251 ( 19252 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.1461 -11.1461 -10.9176 -10.9176 -10.8457 -10.8457 -10.7319 -10.7319 -0.4869 -0.4869 -0.0093 -0.0093 0.2475 0.2475 0.3770 0.3770 0.5351 0.5351 1.0616 1.0616 1.1250 1.1250 1.4562 1.4562 1.5434 1.5434 1.8007 1.8007 1.8500 1.8500 2.0739 2.0739 3.8328 3.8328 4.1298 4.1298 4.3021 4.3021 4.7615 4.7615 4.9910 4.9910 8.9806 8.9806 9.6549 9.6549 k =-0.5000 0.3536 0.1042 ( 19260 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.1500 -11.1500 -10.9203 -10.9203 -10.8479 -10.8479 -10.7344 -10.7344 -0.4892 -0.4892 -0.0017 -0.0017 0.2580 0.2580 0.3919 0.3919 0.5298 0.5298 1.0721 1.0721 1.1313 1.1313 1.4753 1.4753 1.5389 1.5389 1.8011 1.8011 1.8490 1.8490 2.1042 2.1042 3.8167 3.8167 4.1331 4.1331 4.3057 4.3057 4.7525 4.7525 5.0021 5.0021 8.9497 8.9497 9.6480 9.6480 k =-0.5000 0.3536 0.0834 ( 19244 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.1533 -11.1533 -10.9225 -10.9225 -10.8498 -10.8498 -10.7365 -10.7365 -0.4912 -0.4912 0.0044 0.0044 0.2663 0.2663 0.4038 0.4038 0.5255 0.5255 1.0815 1.0815 1.1369 1.1369 1.4910 1.4910 1.5355 1.5355 1.8003 1.8003 1.8496 1.8496 2.1301 2.1301 3.8027 3.8027 4.1358 4.1358 4.3086 4.3086 4.7451 4.7451 5.0117 5.0117 8.9229 8.9229 9.6022 9.6022 k =-0.5000 0.3536 0.0625 ( 19242 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.1559 -11.1559 -10.9242 -10.9242 -10.8512 -10.8512 -10.7381 -10.7381 -0.4928 -0.4928 0.0092 0.0092 0.2724 0.2724 0.4129 0.4129 0.5223 0.5223 1.0894 1.0894 1.1414 1.1414 1.5028 1.5028 1.5333 1.5333 1.7988 1.7988 1.8511 1.8511 2.1508 2.1508 3.7912 3.7912 4.1380 4.1380 4.3109 4.3109 4.7393 4.7393 5.0197 5.0197 8.9009 8.9009 9.5650 9.5650 k =-0.5000 0.3536 0.0417 ( 19222 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.1577 -11.1577 -10.9254 -10.9254 -10.8523 -10.8523 -10.7393 -10.7393 -0.4941 -0.4941 0.0126 0.0126 0.2766 0.2766 0.4192 0.4192 0.5200 0.5200 1.0955 1.0955 1.1448 1.1448 1.5103 1.5103 1.5327 1.5327 1.7972 1.7972 1.8528 1.8528 2.1660 2.1660 3.7826 3.7826 4.1396 4.1396 4.3125 4.3125 4.7350 4.7350 5.0256 5.0256 8.8847 8.8847 9.5383 9.5383 k =-0.5000 0.3536 0.0208 ( 19226 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.1588 -11.1588 -10.9262 -10.9262 -10.8529 -10.8529 -10.7400 -10.7400 -0.4948 -0.4948 0.0146 0.0146 0.2791 0.2791 0.4230 0.4230 0.5186 0.5186 1.0993 1.0993 1.1468 1.1468 1.5138 1.5138 1.5333 1.5333 1.7961 1.7961 1.8541 1.8541 2.1753 2.1753 3.7773 3.7773 4.1406 4.1406 4.3135 4.3135 4.7325 4.7325 5.0292 5.0292 8.8748 8.8748 9.5222 9.5222 k =-0.5000 0.3536-0.0000 ( 19210 PWs) bands (ev): -41.9820 -41.9820 -41.9816 -41.9816 -11.1592 -11.1592 -10.9264 -10.9264 -10.8531 -10.8531 -10.7402 -10.7402 -0.4951 -0.4951 0.0153 0.0153 0.2799 0.2799 0.4242 0.4242 0.5182 0.5182 1.1006 1.1006 1.1475 1.1475 1.5147 1.5147 1.5337 1.5337 1.7957 1.7957 1.8546 1.8546 2.1784 2.1784 3.7755 3.7755 4.1410 4.1410 4.3138 4.3138 4.7316 4.7316 5.0304 5.0304 8.8714 8.8714 9.5169 9.5169 k = 0.0000 0.0000 0.8756 ( 19220 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8656 -10.8656 -10.7689 -10.7689 -10.7024 -10.7024 -10.5485 -10.5485 -0.6369 -0.6369 -0.2351 -0.2351 -0.1031 -0.1031 0.0625 0.0625 0.0788 0.0788 0.3888 0.3888 0.7742 0.7742 0.7921 0.7921 0.9464 0.9464 1.1158 1.1158 1.3648 1.3648 2.0474 2.0474 4.0233 4.0233 4.1223 4.1223 4.2440 4.2440 4.7952 4.7952 5.1091 5.1091 9.1082 9.1082 9.6189 9.6189 k =-0.0172 0.0122 0.8756 ( 19228 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8656 -10.8656 -10.7688 -10.7688 -10.7024 -10.7024 -10.5485 -10.5485 -0.6388 -0.6388 -0.2380 -0.2380 -0.1063 -0.1063 0.0260 0.0260 0.1158 0.1158 0.3922 0.3922 0.7773 0.7773 0.7948 0.7948 0.9482 0.9482 1.1160 1.1160 1.3651 1.3651 2.0471 2.0471 4.0233 4.0233 4.1222 4.1222 4.2436 4.2436 4.7961 4.7961 5.1091 5.1091 9.1052 9.1052 9.6122 9.6122 k =-0.0345 0.0244 0.8756 ( 19212 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8657 -10.8657 -10.7685 -10.7685 -10.7024 -10.7024 -10.5487 -10.5487 -0.6443 -0.6443 -0.2468 -0.2468 -0.1155 -0.1155 -0.0168 -0.0168 0.1602 0.1602 0.4019 0.4019 0.7843 0.7843 0.8046 0.8046 0.9537 0.9537 1.1163 1.1163 1.3659 1.3659 2.0463 2.0463 4.0233 4.0233 4.1221 4.1221 4.2427 4.2427 4.7990 4.7990 5.1092 5.1092 9.0959 9.0959 9.5923 9.5923 k =-0.0517 0.0366 0.8756 ( 19228 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8657 -10.8657 -10.7682 -10.7682 -10.7023 -10.7023 -10.5491 -10.5491 -0.6534 -0.6534 -0.2607 -0.2607 -0.1302 -0.1302 -0.0592 -0.0592 0.2053 0.2053 0.4174 0.4174 0.7922 0.7922 0.8242 0.8242 0.9626 0.9626 1.1168 1.1168 1.3673 1.3673 2.0449 2.0449 4.0233 4.0233 4.1218 4.1218 4.2410 4.2410 4.8038 4.8038 5.1094 5.1094 9.0804 9.0804 9.5601 9.5601 k =-0.0690 0.0488 0.8756 ( 19216 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8657 -10.8657 -10.7676 -10.7676 -10.7022 -10.7022 -10.5496 -10.5496 -0.6657 -0.6657 -0.2792 -0.2792 -0.1494 -0.1494 -0.1007 -0.1007 0.2506 0.2506 0.4380 0.4380 0.8009 0.8009 0.8521 0.8521 0.9748 0.9748 1.1175 1.1175 1.3693 1.3693 2.0431 2.0431 4.0234 4.0234 4.1214 4.1214 4.2388 4.2388 4.8104 4.8104 5.1096 5.1096 9.0586 9.0586 9.5169 9.5169 k =-0.0862 0.0610 0.8756 ( 19222 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8657 -10.8657 -10.7669 -10.7669 -10.7021 -10.7021 -10.5502 -10.5502 -0.6811 -0.6811 -0.3012 -0.3012 -0.1720 -0.1720 -0.1413 -0.1413 0.2961 0.2961 0.4628 0.4628 0.8113 0.8113 0.8864 0.8864 0.9900 0.9900 1.1186 1.1186 1.3720 1.3720 2.0406 2.0406 4.0234 4.0234 4.1209 4.1209 4.2360 4.2360 4.8189 4.8189 5.1099 5.1099 9.0304 9.0304 9.4643 9.4643 k =-0.1034 0.0732 0.8756 ( 19214 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8658 -10.8658 -10.7661 -10.7661 -10.7019 -10.7019 -10.5509 -10.5509 -0.6991 -0.6991 -0.3262 -0.3262 -0.1972 -0.1972 -0.1807 -0.1807 0.3416 0.3416 0.4908 0.4908 0.8235 0.8235 0.9251 0.9251 1.0080 1.0080 1.1199 1.1199 1.3757 1.3757 2.0377 2.0377 4.0234 4.0234 4.1203 4.1203 4.2326 4.2326 4.8290 4.8290 5.1103 5.1103 8.9959 8.9959 9.4040 9.4040 k =-0.1207 0.0854 0.8756 ( 19218 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8658 -10.8658 -10.7651 -10.7651 -10.7018 -10.7018 -10.5518 -10.5518 -0.7194 -0.7194 -0.3534 -0.3534 -0.2241 -0.2241 -0.2188 -0.2188 0.3869 0.3869 0.5213 0.5213 0.8377 0.8377 0.9665 0.9665 1.0289 1.0289 1.1216 1.1216 1.3804 1.3804 2.0343 2.0343 4.0233 4.0233 4.1194 4.1194 4.2287 4.2287 4.8409 4.8409 5.1107 5.1107 8.9551 8.9551 9.3380 9.3380 k =-0.1379 0.0975 0.8756 ( 19234 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8659 -10.8659 -10.7641 -10.7641 -10.7016 -10.7016 -10.5527 -10.5527 -0.7416 -0.7416 -0.3822 -0.3822 -0.2554 -0.2554 -0.2518 -0.2518 0.4320 0.4320 0.5535 0.5535 0.8539 0.8539 1.0076 1.0076 1.0535 1.0535 1.1239 1.1239 1.3865 1.3865 2.0305 2.0305 4.0232 4.0232 4.1184 4.1184 4.2243 4.2243 4.8544 4.8544 5.1112 5.1112 8.9080 8.9080 9.2680 9.2680 k =-0.1552 0.1097 0.8756 ( 19250 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8659 -10.8659 -10.7629 -10.7629 -10.7014 -10.7014 -10.5538 -10.5538 -0.7652 -0.7652 -0.4121 -0.4121 -0.2905 -0.2905 -0.2799 -0.2799 0.4767 0.4767 0.5869 0.5869 0.8719 0.8719 1.0441 1.0441 1.0842 1.0842 1.1271 1.1271 1.3946 1.3946 2.0262 2.0262 4.0230 4.0230 4.1171 4.1171 4.2196 4.2196 4.8693 4.8693 5.1118 5.1118 8.8551 8.8551 9.1956 9.1956 k =-0.1724 0.1219 0.8756 ( 19246 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8660 -10.8660 -10.7616 -10.7616 -10.7012 -10.7012 -10.5549 -10.5549 -0.7900 -0.7900 -0.4426 -0.4426 -0.3240 -0.3240 -0.3080 -0.3080 0.5207 0.5207 0.6210 0.6210 0.8917 0.8917 1.0732 1.0732 1.1189 1.1189 1.1343 1.1343 1.4054 1.4054 2.0214 2.0214 4.0226 4.0226 4.1155 4.1155 4.2147 4.2147 4.8855 4.8855 5.1124 5.1124 8.7967 8.7967 9.1223 9.1223 k =-0.1897 0.1341 0.8756 ( 19254 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8661 -10.8661 -10.7602 -10.7602 -10.7009 -10.7009 -10.5562 -10.5562 -0.8156 -0.8156 -0.4733 -0.4733 -0.3557 -0.3557 -0.3355 -0.3355 0.5640 0.5640 0.6553 0.6553 0.9131 0.9131 1.0967 1.0967 1.1336 1.1336 1.1654 1.1654 1.4198 1.4198 2.0164 2.0164 4.0222 4.0222 4.1136 4.1136 4.2095 4.2095 4.9030 4.9030 5.1131 5.1131 8.7336 8.7336 9.0491 9.0491 k =-0.2069 0.1463 0.8756 ( 19250 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8661 -10.8661 -10.7587 -10.7587 -10.7007 -10.7007 -10.5575 -10.5575 -0.8415 -0.8415 -0.5038 -0.5038 -0.3858 -0.3858 -0.3624 -0.3624 0.6062 0.6062 0.6895 0.6895 0.9359 0.9359 1.1148 1.1148 1.1440 1.1440 1.2026 1.2026 1.4391 1.4391 2.0110 2.0110 4.0216 4.0216 4.1113 4.1113 4.2043 4.2043 4.9215 4.9215 5.1138 5.1138 8.6667 8.6667 8.9769 8.9769 k =-0.2241 0.1585 0.8756 ( 19276 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8662 -10.8662 -10.7572 -10.7572 -10.7004 -10.7004 -10.5588 -10.5588 -0.8675 -0.8675 -0.5338 -0.5338 -0.4142 -0.4142 -0.3883 -0.3883 0.6473 0.6473 0.7232 0.7232 0.9598 0.9598 1.1265 1.1265 1.1598 1.1598 1.2355 1.2355 1.4644 1.4644 2.0053 2.0053 4.0209 4.0209 4.1086 4.1086 4.1991 4.1991 4.9408 4.9408 5.1146 5.1146 8.5971 8.5971 8.9063 8.9063 k =-0.2414 0.1707 0.8756 ( 19280 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8663 -10.8663 -10.7556 -10.7556 -10.7001 -10.7001 -10.5602 -10.5602 -0.8932 -0.8932 -0.5630 -0.5630 -0.4408 -0.4408 -0.4132 -0.4132 0.6868 0.6868 0.7561 0.7561 0.9845 0.9845 1.1345 1.1345 1.1787 1.1787 1.2623 1.2623 1.4958 1.4958 1.9995 1.9995 4.0200 4.0200 4.1055 4.1055 4.1941 4.1941 4.9607 4.9607 5.1154 5.1154 8.5260 8.5260 8.8376 8.8376 k =-0.2586 0.1829 0.8756 ( 19272 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8663 -10.8663 -10.7540 -10.7540 -10.6999 -10.6999 -10.5617 -10.5617 -0.9184 -0.9184 -0.5912 -0.5912 -0.4658 -0.4658 -0.4368 -0.4368 0.7246 0.7246 0.7880 0.7880 1.0098 1.0098 1.1416 1.1416 1.1981 1.1981 1.2833 1.2833 1.5324 1.5324 1.9937 1.9937 4.0189 4.0189 4.1018 4.1018 4.1893 4.1893 4.9810 4.9810 5.1164 5.1164 8.4547 8.4547 8.7710 8.7710 k =-0.2759 0.1951 0.8756 ( 19268 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8664 -10.8664 -10.7524 -10.7524 -10.6996 -10.6996 -10.5631 -10.5631 -0.9429 -0.9429 -0.6181 -0.6181 -0.4890 -0.4890 -0.4591 -0.4591 0.7603 0.7603 0.8188 0.8188 1.0351 1.0351 1.1491 1.1491 1.2170 1.2170 1.2995 1.2995 1.5724 1.5724 1.9879 1.9879 4.0177 4.0177 4.0978 4.0978 4.1850 4.1850 5.0015 5.0015 5.1175 5.1175 8.3843 8.3843 8.7069 8.7069 k =-0.2931 0.2073 0.8756 ( 19264 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8665 -10.8665 -10.7508 -10.7508 -10.6994 -10.6994 -10.5645 -10.5645 -0.9664 -0.9664 -0.6435 -0.6435 -0.5106 -0.5106 -0.4799 -0.4799 0.7937 0.7937 0.8482 0.8482 1.0601 1.0601 1.1572 1.1572 1.2348 1.2348 1.3123 1.3123 1.6138 1.6138 1.9826 1.9826 4.0163 4.0163 4.0932 4.0932 4.1810 4.1810 5.0217 5.0217 5.1187 5.1187 8.3159 8.3159 8.6455 8.6455 k =-0.3103 0.2195 0.8756 ( 19264 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8665 -10.8665 -10.7492 -10.7492 -10.6991 -10.6991 -10.5659 -10.5659 -0.9887 -0.9887 -0.6674 -0.6674 -0.5305 -0.5305 -0.4993 -0.4993 0.8243 0.8243 0.8763 0.8763 1.0843 1.0843 1.1664 1.1664 1.2514 1.2514 1.3228 1.3228 1.6548 1.6548 1.9778 1.9778 4.0148 4.0148 4.0884 4.0884 4.1775 4.1775 5.0414 5.0414 5.1202 5.1202 8.2504 8.2504 8.5870 8.5870 k =-0.3276 0.2317 0.8756 ( 19274 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8666 -10.8666 -10.7477 -10.7477 -10.6989 -10.6989 -10.5673 -10.5673 -1.0096 -1.0096 -0.6895 -0.6895 -0.5488 -0.5488 -0.5171 -0.5171 0.8518 0.8518 0.9030 0.9030 1.1071 1.1071 1.1765 1.1765 1.2669 1.2669 1.3315 1.3315 1.6938 1.6938 1.9742 1.9742 4.0132 4.0132 4.0833 4.0833 4.1745 4.1745 5.0600 5.0600 5.1222 5.1222 8.1886 8.1886 8.5318 8.5318 k =-0.3448 0.2439 0.8756 ( 19286 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8667 -10.8667 -10.7463 -10.7463 -10.6986 -10.6986 -10.5686 -10.5686 -1.0290 -1.0290 -0.7098 -0.7098 -0.5653 -0.5653 -0.5334 -0.5334 0.8759 0.8759 0.9284 0.9284 1.1280 1.1280 1.1877 1.1877 1.2814 1.2814 1.3390 1.3390 1.7293 1.7293 1.9721 1.9721 4.0115 4.0115 4.0781 4.0781 4.1719 4.1719 5.0768 5.0768 5.1252 5.1252 8.1311 8.1311 8.4803 8.4803 k =-0.3621 0.2561 0.8756 ( 19302 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8667 -10.8667 -10.7449 -10.7449 -10.6984 -10.6984 -10.5698 -10.5698 -1.0467 -1.0467 -0.7281 -0.7281 -0.5801 -0.5801 -0.5480 -0.5480 0.8965 0.8965 0.9525 0.9525 1.1466 1.1466 1.1996 1.1996 1.2949 1.2949 1.3454 1.3454 1.7600 1.7600 1.9725 1.9725 4.0098 4.0098 4.0730 4.0730 4.1697 4.1697 5.0907 5.0907 5.1300 5.1300 8.0785 8.0785 8.4328 8.4328 k =-0.3793 0.2683 0.8756 ( 19298 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8668 -10.8668 -10.7436 -10.7436 -10.6982 -10.6982 -10.5709 -10.5709 -1.0626 -1.0626 -0.7444 -0.7444 -0.5932 -0.5932 -0.5610 -0.5610 0.9135 0.9135 0.9750 0.9750 1.1626 1.1626 1.2118 1.2118 1.3077 1.3077 1.3510 1.3510 1.7849 1.7849 1.9757 1.9757 4.0080 4.0080 4.0681 4.0681 4.1679 4.1679 5.1005 5.1005 5.1374 5.1374 8.0313 8.0313 8.3896 8.3896 k =-0.3966 0.2805 0.8756 ( 19282 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8668 -10.8668 -10.7425 -10.7425 -10.6981 -10.6981 -10.5720 -10.5720 -1.0766 -1.0766 -0.7587 -0.7587 -0.6046 -0.6046 -0.5723 -0.5723 0.9274 0.9274 0.9957 0.9957 1.1758 1.1758 1.2238 1.2238 1.3197 1.3197 1.3557 1.3557 1.8032 1.8032 1.9822 1.9822 4.0063 4.0063 4.0636 4.0636 4.1665 4.1665 5.1064 5.1064 5.1471 5.1471 7.9897 7.9897 8.3513 8.3513 k =-0.4138 0.2926 0.8756 ( 19284 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8669 -10.8669 -10.7415 -10.7415 -10.6979 -10.6979 -10.5729 -10.5729 -1.0886 -1.0886 -0.7708 -0.7708 -0.6142 -0.6142 -0.5819 -0.5819 0.9384 0.9384 1.0141 1.0141 1.1864 1.1864 1.2349 1.2349 1.3308 1.3308 1.3595 1.3595 1.8153 1.8153 1.9912 1.9912 4.0047 4.0047 4.0595 4.0595 4.1653 4.1653 5.1098 5.1098 5.1574 5.1574 7.9542 7.9542 8.3181 8.3181 k =-0.4310 0.3048 0.8756 ( 19280 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8669 -10.8669 -10.7407 -10.7407 -10.6978 -10.6978 -10.5736 -10.5736 -1.0985 -1.0985 -0.7808 -0.7808 -0.6221 -0.6221 -0.5898 -0.5898 0.9468 0.9468 1.0300 1.0300 1.1946 1.1946 1.2447 1.2447 1.3407 1.3407 1.3626 1.3626 1.8226 1.8226 2.0014 2.0014 4.0033 4.0033 4.0561 4.0561 4.1644 4.1644 5.1118 5.1118 5.1670 5.1670 7.9248 7.9248 8.2904 8.2904 k =-0.4483 0.3170 0.8756 ( 19278 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8669 -10.8669 -10.7400 -10.7400 -10.6977 -10.6977 -10.5742 -10.5742 -1.1063 -1.1063 -0.7886 -0.7886 -0.6283 -0.6283 -0.5959 -0.5959 0.9531 0.9531 1.0428 1.0428 1.2005 1.2005 1.2528 1.2528 1.3489 1.3489 1.3649 1.3649 1.8263 1.8263 2.0111 2.0111 4.0021 4.0021 4.0534 4.0534 4.1637 4.1637 5.1130 5.1130 5.1749 5.1749 7.9019 7.9019 8.2685 8.2685 k =-0.4655 0.3292 0.8756 ( 19280 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8669 -10.8669 -10.7395 -10.7395 -10.6976 -10.6976 -10.5747 -10.5747 -1.1119 -1.1119 -0.7942 -0.7942 -0.6327 -0.6327 -0.6003 -0.6003 0.9574 0.9574 1.0523 1.0523 1.2044 1.2044 1.2588 1.2588 1.3550 1.3550 1.3667 1.3667 1.8281 1.8281 2.0191 2.0191 4.0012 4.0012 4.0514 4.0514 4.1632 4.1632 5.1137 5.1137 5.1808 5.1808 7.8854 7.8854 8.2527 8.2527 k =-0.4828 0.3414 0.8756 ( 19268 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8670 -10.8670 -10.7392 -10.7392 -10.6976 -10.6976 -10.5749 -10.5749 -1.1153 -1.1153 -0.7975 -0.7975 -0.6353 -0.6353 -0.6030 -0.6030 0.9599 0.9599 1.0581 1.0581 1.2066 1.2066 1.2625 1.2625 1.3587 1.3587 1.3679 1.3679 1.8287 1.8287 2.0242 2.0242 4.0007 4.0007 4.0502 4.0502 4.1629 4.1629 5.1141 5.1141 5.1845 5.1845 7.8755 7.8755 8.2431 8.2431 k =-0.5000 0.3536 0.8756 ( 19260 PWs) bands (ev): -41.9816 -41.9816 -41.9812 -41.9812 -10.8670 -10.8670 -10.7391 -10.7391 -10.6976 -10.6976 -10.5750 -10.5750 -1.1164 -1.1164 -0.7987 -0.7987 -0.6362 -0.6362 -0.6038 -0.6038 0.9607 0.9607 1.0601 1.0601 1.2073 1.2073 1.2638 1.2638 1.3598 1.3598 1.3684 1.3684 1.8289 1.8289 2.0260 2.0260 4.0005 4.0005 4.0498 4.0498 4.1629 4.1629 5.1143 5.1143 5.1857 5.1857 7.8722 7.8722 8.2399 8.2399 Writing output data file Li2FeBr4.save init_run : 0.45s CPU 0.69s WALL ( 1 calls) electrons : 448.97s CPU 454.50s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.06s WALL ( 1 calls) potinit : 0.03s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 448.96s CPU 454.49s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.07s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.12s CPU 0.31s WALL ( 358 calls) cegterg : 398.31s CPU 400.51s WALL ( 579 calls) Called by sum_band: Called by *egterg: h_psi : 313.78s CPU 315.51s WALL ( 9161 calls) s_psi : 9.26s CPU 9.34s WALL ( 9161 calls) g_psi : 1.03s CPU 1.01s WALL ( 8224 calls) cdiaghg : 50.42s CPU 50.75s WALL ( 8582 calls) cegterg:over : 21.32s CPU 21.57s WALL ( 8224 calls) cegterg:upda : 22.80s CPU 23.09s WALL ( 8224 calls) cegterg:last : 11.68s CPU 11.76s WALL ( 1295 calls) cdiaghg:chol : 3.00s CPU 2.98s WALL ( 8582 calls) cdiaghg:inve : 1.88s CPU 1.85s WALL ( 8582 calls) cdiaghg:para : 2.92s CPU 2.87s WALL ( 17164 calls) Called by h_psi: h_psi:vloc : 291.03s CPU 292.90s WALL ( 9161 calls) h_psi:vnl : 21.39s CPU 21.33s WALL ( 9161 calls) add_vuspsi : 9.62s CPU 9.41s WALL ( 9161 calls) General routines calbec : 11.75s CPU 11.90s WALL ( 9161 calls) fft : 0.02s CPU 0.02s WALL ( 15 calls) fftw : 277.38s CPU 278.62s WALL ( 798724 calls) davcio : 0.46s CPU 0.94s WALL ( 716 calls) Parallel routines fft_scatter : 73.07s CPU 73.25s WALL ( 798739 calls) PWSCF : 8m17.85s CPU 9m 1.14s WALL This run was terminated on: 16: 9:35 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=