Program PWSCF v.5.1.1 starts on 23Jul2015 at 11:50:15 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./TiAl2.save/ file Ti.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3D 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 81 29 8 3165 679 108 Max 82 30 9 3170 700 113 Sum 3915 1421 413 152053 33039 5275 bravais-lattice index = 14 lattice parameter (alat) = 12.0242 a.u. unit-cell volume = 651.3493 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 52.0000 Ry charge density cutoff = 576.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.024249 celldm(2)= 1.000000 celldm(3)= 0.633589 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.806427 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.806427 0.591334 0.000000 ) a(3) = ( 0.000000 0.000000 0.633589 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.363743 -0.000000 ) b(2) = ( 0.000000 1.691093 -0.000000 ) b(3) = ( 0.000000 0.000000 1.578311 ) PseudoPot. # 1 for Al read from file: /home/autes/Pseudo/Al.rel-pbe-nl-rrkjus_psl.1.0.0.UPF MD5 check sum: d18dd1d035d87b93e5ebab176be81bd5 Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 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 Ti read from file: /home/autes/Pseudo/Ti.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: ed6a930860ac2325f16e0d84c006faf2 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1177 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Al 3.00 26.98150 Al( 1.00) Ti 12.00 47.86700 Ti( 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 s_h -s_h i -i G_3+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_4+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_3- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 imaginary part E -E C2 -C2 s_h -s_h i -i G_3+ 0.00 0.00 1.00 -1.00 1.00 -1.00 0.00 0.00 G_4+ 0.00 0.00 -1.00 1.00 -1.00 1.00 0.00 0.00 G_3- 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 the symmetry operations in each class: E 1 C2 2 i 3 s_h 4 -E -1 -C2 -2 -i -3 -s_h -4 Cartesian axes number of k points= 408 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024510 k( 2) = ( 0.0062907 0.0192170 -0.0000000), wk = 0.0024510 k( 3) = ( 0.0125813 0.0384339 -0.0000000), wk = 0.0024510 k( 4) = ( 0.0188720 0.0576509 -0.0000000), wk = 0.0024510 k( 5) = ( 0.0251627 0.0768679 -0.0000000), wk = 0.0024510 k( 6) = ( 0.0314533 0.0960848 -0.0000000), wk = 0.0024510 k( 7) = ( 0.0377440 0.1153018 -0.0000000), wk = 0.0024510 k( 8) = ( 0.0440347 0.1345187 -0.0000000), wk = 0.0024510 k( 9) = ( 0.0503254 0.1537357 -0.0000000), wk = 0.0024510 k( 10) = ( 0.0566160 0.1729527 -0.0000000), wk = 0.0024510 k( 11) = ( 0.0629067 0.1921696 -0.0000000), wk = 0.0024510 k( 12) = ( 0.0691974 0.2113866 -0.0000000), wk = 0.0024510 k( 13) = ( 0.0754880 0.2306036 -0.0000000), wk = 0.0024510 k( 14) = ( 0.0817787 0.2498205 -0.0000000), wk = 0.0024510 k( 15) = ( 0.0880694 0.2690375 -0.0000000), wk = 0.0024510 k( 16) = ( 0.0943601 0.2882544 -0.0000000), wk = 0.0024510 k( 17) = ( 0.1006507 0.3074714 -0.0000000), wk = 0.0024510 k( 18) = ( 0.1069414 0.3266884 -0.0000000), wk = 0.0024510 k( 19) = ( 0.1132321 0.3459053 -0.0000000), wk = 0.0024510 k( 20) = ( 0.1195227 0.3651223 -0.0000000), wk = 0.0024510 k( 21) = ( 0.1258134 0.3843393 -0.0000000), wk = 0.0024510 k( 22) = ( 0.1321041 0.4035562 -0.0000000), wk = 0.0024510 k( 23) = ( 0.1383947 0.4227732 -0.0000000), wk = 0.0024510 k( 24) = ( 0.1446854 0.4419902 -0.0000000), wk = 0.0024510 k( 25) = ( 0.1509761 0.4612071 -0.0000000), wk = 0.0024510 k( 26) = ( 0.1572668 0.4804241 -0.0000000), wk = 0.0024510 k( 27) = ( 0.1635574 0.4996410 -0.0000000), wk = 0.0024510 k( 28) = ( 0.1698481 0.5188580 -0.0000000), wk = 0.0024510 k( 29) = ( 0.1761388 0.5380750 -0.0000000), wk = 0.0024510 k( 30) = ( 0.1824294 0.5572919 -0.0000000), wk = 0.0024510 k( 31) = ( 0.1887201 0.5765089 -0.0000000), wk = 0.0024510 k( 32) = ( 0.1950108 0.5957259 -0.0000000), wk = 0.0024510 k( 33) = ( 0.2013014 0.6149428 -0.0000000), wk = 0.0024510 k( 34) = ( 0.2075921 0.6341598 -0.0000000), wk = 0.0024510 k( 35) = ( 0.2138828 0.6533768 -0.0000000), wk = 0.0024510 k( 36) = ( 0.2201734 0.6725937 -0.0000000), wk = 0.0024510 k( 37) = ( 0.2264641 0.6918107 -0.0000000), wk = 0.0024510 k( 38) = ( 0.2327548 0.7110276 -0.0000000), wk = 0.0024510 k( 39) = ( 0.2390455 0.7302446 -0.0000000), wk = 0.0024510 k( 40) = ( 0.2453361 0.7494616 -0.0000000), wk = 0.0024510 k( 41) = ( 0.2516268 0.7686785 -0.0000000), wk = 0.0024510 k( 42) = ( 0.2579175 0.7878955 -0.0000000), wk = 0.0024510 k( 43) = ( 0.2642081 0.8071125 -0.0000000), wk = 0.0024510 k( 44) = ( 0.2704988 0.8263294 -0.0000000), wk = 0.0024510 k( 45) = ( 0.2767895 0.8455464 -0.0000000), wk = 0.0024510 k( 46) = ( 0.2767895 0.8455464 -0.0000000), wk = 0.0024510 k( 47) = ( 0.2570188 0.8455464 -0.0000000), wk = 0.0024510 k( 48) = ( 0.2372481 0.8455464 -0.0000000), wk = 0.0024510 k( 49) = ( 0.2174774 0.8455464 -0.0000000), wk = 0.0024510 k( 50) = ( 0.1977068 0.8455464 -0.0000000), wk = 0.0024510 k( 51) = ( 0.1779361 0.8455464 -0.0000000), wk = 0.0024510 k( 52) = ( 0.1581654 0.8455464 -0.0000000), wk = 0.0024510 k( 53) = ( 0.1383947 0.8455464 -0.0000000), wk = 0.0024510 k( 54) = ( 0.1186241 0.8455464 -0.0000000), wk = 0.0024510 k( 55) = ( 0.0988534 0.8455464 -0.0000000), wk = 0.0024510 k( 56) = ( 0.0790827 0.8455464 -0.0000000), wk = 0.0024510 k( 57) = ( 0.0593120 0.8455464 -0.0000000), wk = 0.0024510 k( 58) = ( 0.0395414 0.8455464 -0.0000000), wk = 0.0024510 k( 59) = ( 0.0197707 0.8455464 -0.0000000), wk = 0.0024510 k( 60) = ( 0.0000000 0.8455464 -0.0000000), wk = 0.0024510 k( 61) = ( 0.0000000 0.8455464 -0.0000000), wk = 0.0024510 k( 62) = ( 0.0000000 0.8455464 0.0202347), wk = 0.0024510 k( 63) = ( 0.0000000 0.8455464 0.0404695), wk = 0.0024510 k( 64) = ( 0.0000000 0.8455464 0.0607043), wk = 0.0024510 k( 65) = ( 0.0000000 0.8455464 0.0809390), wk = 0.0024510 k( 66) = ( 0.0000000 0.8455464 0.1011737), wk = 0.0024510 k( 67) = ( 0.0000000 0.8455464 0.1214085), wk = 0.0024510 k( 68) = ( 0.0000000 0.8455464 0.1416433), wk = 0.0024510 k( 69) = ( 0.0000000 0.8455464 0.1618780), wk = 0.0024510 k( 70) = ( 0.0000000 0.8455464 0.1821128), wk = 0.0024510 k( 71) = ( 0.0000000 0.8455464 0.2023475), wk = 0.0024510 k( 72) = ( 0.0000000 0.8455464 0.2225823), wk = 0.0024510 k( 73) = ( 0.0000000 0.8455464 0.2428170), wk = 0.0024510 k( 74) = ( 0.0000000 0.8455464 0.2630518), wk = 0.0024510 k( 75) = ( 0.0000000 0.8455464 0.2832865), wk = 0.0024510 k( 76) = ( 0.0000000 0.8455464 0.3035213), wk = 0.0024510 k( 77) = ( 0.0000000 0.8455464 0.3237560), wk = 0.0024510 k( 78) = ( 0.0000000 0.8455464 0.3439908), wk = 0.0024510 k( 79) = ( 0.0000000 0.8455464 0.3642255), wk = 0.0024510 k( 80) = ( 0.0000000 0.8455464 0.3844603), wk = 0.0024510 k( 81) = ( 0.0000000 0.8455464 0.4046950), wk = 0.0024510 k( 82) = ( 0.0000000 0.8455464 0.4249298), wk = 0.0024510 k( 83) = ( 0.0000000 0.8455464 0.4451645), wk = 0.0024510 k( 84) = ( 0.0000000 0.8455464 0.4653993), wk = 0.0024510 k( 85) = ( 0.0000000 0.8455464 0.4856340), wk = 0.0024510 k( 86) = ( 0.0000000 0.8455464 0.5058688), wk = 0.0024510 k( 87) = ( 0.0000000 0.8455464 0.5261035), wk = 0.0024510 k( 88) = ( 0.0000000 0.8455464 0.5463383), wk = 0.0024510 k( 89) = ( 0.0000000 0.8455464 0.5665730), wk = 0.0024510 k( 90) = ( 0.0000000 0.8455464 0.5868078), wk = 0.0024510 k( 91) = ( 0.0000000 0.8455464 0.6070425), wk = 0.0024510 k( 92) = ( 0.0000000 0.8455464 0.6272773), wk = 0.0024510 k( 93) = ( 0.0000000 0.8455464 0.6475120), wk = 0.0024510 k( 94) = ( 0.0000000 0.8455464 0.6677468), wk = 0.0024510 k( 95) = ( 0.0000000 0.8455464 0.6879815), wk = 0.0024510 k( 96) = ( 0.0000000 0.8455464 0.7082163), wk = 0.0024510 k( 97) = ( 0.0000000 0.8455464 0.7284510), wk = 0.0024510 k( 98) = ( 0.0000000 0.8455464 0.7486858), wk = 0.0024510 k( 99) = ( 0.0000000 0.8455464 0.7689205), wk = 0.0024510 k( 100) = ( 0.0000000 0.8455464 0.7891553), wk = 0.0024510 k( 101) = ( 0.0000000 0.8455464 0.7891553), wk = 0.0024510 k( 102) = ( 0.0197707 0.8455464 0.7891553), wk = 0.0024510 k( 103) = ( 0.0395414 0.8455464 0.7891553), wk = 0.0024510 k( 104) = ( 0.0593120 0.8455464 0.7891553), wk = 0.0024510 k( 105) = ( 0.0790827 0.8455464 0.7891553), wk = 0.0024510 k( 106) = ( 0.0988534 0.8455464 0.7891553), wk = 0.0024510 k( 107) = ( 0.1186241 0.8455464 0.7891553), wk = 0.0024510 k( 108) = ( 0.1383947 0.8455464 0.7891553), wk = 0.0024510 k( 109) = ( 0.1581654 0.8455464 0.7891553), wk = 0.0024510 k( 110) = ( 0.1779361 0.8455464 0.7891553), wk = 0.0024510 k( 111) = ( 0.1977068 0.8455464 0.7891553), wk = 0.0024510 k( 112) = ( 0.2174774 0.8455464 0.7891553), wk = 0.0024510 k( 113) = ( 0.2372481 0.8455464 0.7891553), wk = 0.0024510 k( 114) = ( 0.2570188 0.8455464 0.7891553), wk = 0.0024510 k( 115) = ( 0.2767895 0.8455464 0.7891553), wk = 0.0024510 k( 116) = ( 0.2767895 0.8455464 0.7891553), wk = 0.0024510 k( 117) = ( 0.2704988 0.8263294 0.7891553), wk = 0.0024510 k( 118) = ( 0.2642081 0.8071125 0.7891553), wk = 0.0024510 k( 119) = ( 0.2579175 0.7878955 0.7891553), wk = 0.0024510 k( 120) = ( 0.2516268 0.7686785 0.7891553), wk = 0.0024510 k( 121) = ( 0.2453361 0.7494616 0.7891553), wk = 0.0024510 k( 122) = ( 0.2390455 0.7302446 0.7891553), wk = 0.0024510 k( 123) = ( 0.2327548 0.7110276 0.7891553), wk = 0.0024510 k( 124) = ( 0.2264641 0.6918107 0.7891553), wk = 0.0024510 k( 125) = ( 0.2201734 0.6725937 0.7891553), wk = 0.0024510 k( 126) = ( 0.2138828 0.6533768 0.7891553), wk = 0.0024510 k( 127) = ( 0.2075921 0.6341598 0.7891553), wk = 0.0024510 k( 128) = ( 0.2013014 0.6149428 0.7891553), wk = 0.0024510 k( 129) = ( 0.1950108 0.5957259 0.7891553), wk = 0.0024510 k( 130) = ( 0.1887201 0.5765089 0.7891553), wk = 0.0024510 k( 131) = ( 0.1824294 0.5572919 0.7891553), wk = 0.0024510 k( 132) = ( 0.1761388 0.5380750 0.7891553), wk = 0.0024510 k( 133) = ( 0.1698481 0.5188580 0.7891553), wk = 0.0024510 k( 134) = ( 0.1635574 0.4996410 0.7891553), wk = 0.0024510 k( 135) = ( 0.1572668 0.4804241 0.7891553), wk = 0.0024510 k( 136) = ( 0.1509761 0.4612071 0.7891553), wk = 0.0024510 k( 137) = ( 0.1446854 0.4419902 0.7891553), wk = 0.0024510 k( 138) = ( 0.1383947 0.4227732 0.7891553), wk = 0.0024510 k( 139) = ( 0.1321041 0.4035562 0.7891553), wk = 0.0024510 k( 140) = ( 0.1258134 0.3843393 0.7891553), wk = 0.0024510 k( 141) = ( 0.1195227 0.3651223 0.7891553), wk = 0.0024510 k( 142) = ( 0.1132321 0.3459053 0.7891553), wk = 0.0024510 k( 143) = ( 0.1069414 0.3266884 0.7891553), wk = 0.0024510 k( 144) = ( 0.1006507 0.3074714 0.7891553), wk = 0.0024510 k( 145) = ( 0.0943601 0.2882544 0.7891553), wk = 0.0024510 k( 146) = ( 0.0880694 0.2690375 0.7891553), wk = 0.0024510 k( 147) = ( 0.0817787 0.2498205 0.7891553), wk = 0.0024510 k( 148) = ( 0.0754880 0.2306036 0.7891553), wk = 0.0024510 k( 149) = ( 0.0691974 0.2113866 0.7891553), wk = 0.0024510 k( 150) = ( 0.0629067 0.1921696 0.7891553), wk = 0.0024510 k( 151) = ( 0.0566160 0.1729527 0.7891553), wk = 0.0024510 k( 152) = ( 0.0503254 0.1537357 0.7891553), wk = 0.0024510 k( 153) = ( 0.0440347 0.1345187 0.7891553), wk = 0.0024510 k( 154) = ( 0.0377440 0.1153018 0.7891553), wk = 0.0024510 k( 155) = ( 0.0314533 0.0960848 0.7891553), wk = 0.0024510 k( 156) = ( 0.0251627 0.0768679 0.7891553), wk = 0.0024510 k( 157) = ( 0.0188720 0.0576509 0.7891553), wk = 0.0024510 k( 158) = ( 0.0125813 0.0384339 0.7891553), wk = 0.0024510 k( 159) = ( 0.0062907 0.0192170 0.7891553), wk = 0.0024510 k( 160) = ( 0.0000000 0.0000000 0.7891553), wk = 0.0024510 k( 161) = ( 0.0000000 0.0000000 0.7891553), wk = 0.0024510 k( 162) = ( 0.0000000 0.0000000 0.7689205), wk = 0.0024510 k( 163) = ( 0.0000000 0.0000000 0.7486858), wk = 0.0024510 k( 164) = ( 0.0000000 0.0000000 0.7284510), wk = 0.0024510 k( 165) = ( 0.0000000 0.0000000 0.7082163), wk = 0.0024510 k( 166) = ( 0.0000000 0.0000000 0.6879815), wk = 0.0024510 k( 167) = ( 0.0000000 0.0000000 0.6677468), wk = 0.0024510 k( 168) = ( 0.0000000 0.0000000 0.6475120), wk = 0.0024510 k( 169) = ( 0.0000000 0.0000000 0.6272773), wk = 0.0024510 k( 170) = ( 0.0000000 0.0000000 0.6070425), wk = 0.0024510 k( 171) = ( 0.0000000 0.0000000 0.5868078), wk = 0.0024510 k( 172) = ( 0.0000000 0.0000000 0.5665730), wk = 0.0024510 k( 173) = ( 0.0000000 0.0000000 0.5463383), wk = 0.0024510 k( 174) = ( 0.0000000 0.0000000 0.5261035), wk = 0.0024510 k( 175) = ( 0.0000000 0.0000000 0.5058688), wk = 0.0024510 k( 176) = ( 0.0000000 0.0000000 0.4856340), wk = 0.0024510 k( 177) = ( 0.0000000 0.0000000 0.4653993), wk = 0.0024510 k( 178) = ( 0.0000000 0.0000000 0.4451645), wk = 0.0024510 k( 179) = ( 0.0000000 0.0000000 0.4249298), wk = 0.0024510 k( 180) = ( 0.0000000 0.0000000 0.4046950), wk = 0.0024510 k( 181) = ( 0.0000000 0.0000000 0.3844603), wk = 0.0024510 k( 182) = ( 0.0000000 0.0000000 0.3642255), wk = 0.0024510 k( 183) = ( 0.0000000 0.0000000 0.3439908), wk = 0.0024510 k( 184) = ( 0.0000000 0.0000000 0.3237560), wk = 0.0024510 k( 185) = ( 0.0000000 0.0000000 0.3035213), wk = 0.0024510 k( 186) = ( 0.0000000 0.0000000 0.2832865), wk = 0.0024510 k( 187) = ( 0.0000000 0.0000000 0.2630518), wk = 0.0024510 k( 188) = ( 0.0000000 0.0000000 0.2428170), wk = 0.0024510 k( 189) = ( 0.0000000 0.0000000 0.2225823), wk = 0.0024510 k( 190) = ( 0.0000000 0.0000000 0.2023475), wk = 0.0024510 k( 191) = ( 0.0000000 0.0000000 0.1821128), wk = 0.0024510 k( 192) = ( 0.0000000 0.0000000 0.1618780), wk = 0.0024510 k( 193) = ( 0.0000000 0.0000000 0.1416433), wk = 0.0024510 k( 194) = ( 0.0000000 0.0000000 0.1214085), wk = 0.0024510 k( 195) = ( 0.0000000 0.0000000 0.1011737), wk = 0.0024510 k( 196) = ( 0.0000000 0.0000000 0.0809390), wk = 0.0024510 k( 197) = ( 0.0000000 0.0000000 0.0607043), wk = 0.0024510 k( 198) = ( 0.0000000 0.0000000 0.0404695), wk = 0.0024510 k( 199) = ( 0.0000000 0.0000000 0.0202347), wk = 0.0024510 k( 200) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024510 k( 201) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024510 k( 202) = ( -0.0192308 0.0062952 0.0000000), wk = 0.0024510 k( 203) = ( -0.0384615 0.0125904 0.0000000), wk = 0.0024510 k( 204) = ( -0.0576923 0.0188856 0.0000000), wk = 0.0024510 k( 205) = ( -0.0769231 0.0251808 0.0000000), wk = 0.0024510 k( 206) = ( -0.0961538 0.0314759 0.0000000), wk = 0.0024510 k( 207) = ( -0.1153846 0.0377711 0.0000000), wk = 0.0024510 k( 208) = ( -0.1346154 0.0440663 0.0000000), wk = 0.0024510 k( 209) = ( -0.1538461 0.0503615 0.0000000), wk = 0.0024510 k( 210) = ( -0.1730769 0.0566567 0.0000000), wk = 0.0024510 k( 211) = ( -0.1923077 0.0629519 0.0000000), wk = 0.0024510 k( 212) = ( -0.2115385 0.0692471 0.0000000), wk = 0.0024510 k( 213) = ( -0.2307692 0.0755423 0.0000000), wk = 0.0024510 k( 214) = ( -0.2500000 0.0818375 0.0000000), wk = 0.0024510 k( 215) = ( -0.2692308 0.0881327 0.0000000), wk = 0.0024510 k( 216) = ( -0.2884615 0.0944278 0.0000000), wk = 0.0024510 k( 217) = ( -0.3076923 0.1007230 0.0000000), wk = 0.0024510 k( 218) = ( -0.3269231 0.1070182 0.0000000), wk = 0.0024510 k( 219) = ( -0.3461538 0.1133134 0.0000000), wk = 0.0024510 k( 220) = ( -0.3653846 0.1196086 0.0000000), wk = 0.0024510 k( 221) = ( -0.3846154 0.1259038 0.0000000), wk = 0.0024510 k( 222) = ( -0.4038462 0.1321990 0.0000000), wk = 0.0024510 k( 223) = ( -0.4230769 0.1384942 0.0000000), wk = 0.0024510 k( 224) = ( -0.4423077 0.1447894 0.0000000), wk = 0.0024510 k( 225) = ( -0.4615385 0.1510845 0.0000000), wk = 0.0024510 k( 226) = ( -0.4807692 0.1573797 0.0000000), wk = 0.0024510 k( 227) = ( -0.5000000 0.1636749 0.0000000), wk = 0.0024510 k( 228) = ( -0.5000000 0.1636749 0.0000000), wk = 0.0024510 k( 229) = ( -0.4937997 0.1826158 -0.0000000), wk = 0.0024510 k( 230) = ( -0.4875994 0.2015567 -0.0000000), wk = 0.0024510 k( 231) = ( -0.4813991 0.2204976 -0.0000000), wk = 0.0024510 k( 232) = ( -0.4751988 0.2394384 -0.0000000), wk = 0.0024510 k( 233) = ( -0.4689985 0.2583793 -0.0000000), wk = 0.0024510 k( 234) = ( -0.4627983 0.2773202 -0.0000000), wk = 0.0024510 k( 235) = ( -0.4565979 0.2962611 -0.0000000), wk = 0.0024510 k( 236) = ( -0.4503977 0.3152019 -0.0000000), wk = 0.0024510 k( 237) = ( -0.4441974 0.3341428 -0.0000000), wk = 0.0024510 k( 238) = ( -0.4379971 0.3530837 -0.0000000), wk = 0.0024510 k( 239) = ( -0.4317968 0.3720245 -0.0000000), wk = 0.0024510 k( 240) = ( -0.4255965 0.3909654 -0.0000000), wk = 0.0024510 k( 241) = ( -0.4193962 0.4099063 -0.0000000), wk = 0.0024510 k( 242) = ( -0.4131959 0.4288472 -0.0000000), wk = 0.0024510 k( 243) = ( -0.4069956 0.4477880 -0.0000000), wk = 0.0024510 k( 244) = ( -0.4007953 0.4667289 -0.0000000), wk = 0.0024510 k( 245) = ( -0.3945950 0.4856698 -0.0000000), wk = 0.0024510 k( 246) = ( -0.3883947 0.5046107 -0.0000000), wk = 0.0024510 k( 247) = ( -0.3821945 0.5235515 -0.0000000), wk = 0.0024510 k( 248) = ( -0.3759942 0.5424924 -0.0000000), wk = 0.0024510 k( 249) = ( -0.3697939 0.5614333 -0.0000000), wk = 0.0024510 k( 250) = ( -0.3635936 0.5803742 -0.0000000), wk = 0.0024510 k( 251) = ( -0.3573933 0.5993150 -0.0000000), wk = 0.0024510 k( 252) = ( -0.3511930 0.6182559 -0.0000000), wk = 0.0024510 k( 253) = ( -0.3449927 0.6371968 -0.0000000), wk = 0.0024510 k( 254) = ( -0.3387924 0.6561377 -0.0000000), wk = 0.0024510 k( 255) = ( -0.3325921 0.6750785 -0.0000000), wk = 0.0024510 k( 256) = ( -0.3263918 0.6940194 -0.0000000), wk = 0.0024510 k( 257) = ( -0.3201915 0.7129603 -0.0000000), wk = 0.0024510 k( 258) = ( -0.3139912 0.7319012 -0.0000000), wk = 0.0024510 k( 259) = ( -0.3077909 0.7508420 -0.0000000), wk = 0.0024510 k( 260) = ( -0.3015907 0.7697829 -0.0000000), wk = 0.0024510 k( 261) = ( -0.2953904 0.7887238 -0.0000000), wk = 0.0024510 k( 262) = ( -0.2891901 0.8076646 -0.0000000), wk = 0.0024510 k( 263) = ( -0.2829898 0.8266055 -0.0000000), wk = 0.0024510 k( 264) = ( -0.2767895 0.8455464 -0.0000000), wk = 0.0024510 k( 265) = ( -0.2767895 0.8455464 -0.0000000), wk = 0.0024510 k( 266) = ( -0.2767895 0.8455464 0.0202347), wk = 0.0024510 k( 267) = ( -0.2767895 0.8455464 0.0404695), wk = 0.0024510 k( 268) = ( -0.2767895 0.8455464 0.0607043), wk = 0.0024510 k( 269) = ( -0.2767895 0.8455464 0.0809390), wk = 0.0024510 k( 270) = ( -0.2767895 0.8455464 0.1011737), wk = 0.0024510 k( 271) = ( -0.2767895 0.8455464 0.1214085), wk = 0.0024510 k( 272) = ( -0.2767895 0.8455464 0.1416433), wk = 0.0024510 k( 273) = ( -0.2767895 0.8455464 0.1618780), wk = 0.0024510 k( 274) = ( -0.2767895 0.8455464 0.1821128), wk = 0.0024510 k( 275) = ( -0.2767895 0.8455464 0.2023475), wk = 0.0024510 k( 276) = ( -0.2767895 0.8455464 0.2225823), wk = 0.0024510 k( 277) = ( -0.2767895 0.8455464 0.2428170), wk = 0.0024510 k( 278) = ( -0.2767895 0.8455464 0.2630518), wk = 0.0024510 k( 279) = ( -0.2767895 0.8455464 0.2832865), wk = 0.0024510 k( 280) = ( -0.2767895 0.8455464 0.3035213), wk = 0.0024510 k( 281) = ( -0.2767895 0.8455464 0.3237560), wk = 0.0024510 k( 282) = ( -0.2767895 0.8455464 0.3439908), wk = 0.0024510 k( 283) = ( -0.2767895 0.8455464 0.3642255), wk = 0.0024510 k( 284) = ( -0.2767895 0.8455464 0.3844603), wk = 0.0024510 k( 285) = ( -0.2767895 0.8455464 0.4046950), wk = 0.0024510 k( 286) = ( -0.2767895 0.8455464 0.4249298), wk = 0.0024510 k( 287) = ( -0.2767895 0.8455464 0.4451645), wk = 0.0024510 k( 288) = ( -0.2767895 0.8455464 0.4653993), wk = 0.0024510 k( 289) = ( -0.2767895 0.8455464 0.4856340), wk = 0.0024510 k( 290) = ( -0.2767895 0.8455464 0.5058688), wk = 0.0024510 k( 291) = ( -0.2767895 0.8455464 0.5261035), wk = 0.0024510 k( 292) = ( -0.2767895 0.8455464 0.5463383), wk = 0.0024510 k( 293) = ( -0.2767895 0.8455464 0.5665730), wk = 0.0024510 k( 294) = ( -0.2767895 0.8455464 0.5868078), wk = 0.0024510 k( 295) = ( -0.2767895 0.8455464 0.6070425), wk = 0.0024510 k( 296) = ( -0.2767895 0.8455464 0.6272773), wk = 0.0024510 k( 297) = ( -0.2767895 0.8455464 0.6475120), wk = 0.0024510 k( 298) = ( -0.2767895 0.8455464 0.6677468), wk = 0.0024510 k( 299) = ( -0.2767895 0.8455464 0.6879815), wk = 0.0024510 k( 300) = ( -0.2767895 0.8455464 0.7082163), wk = 0.0024510 k( 301) = ( -0.2767895 0.8455464 0.7284510), wk = 0.0024510 k( 302) = ( -0.2767895 0.8455464 0.7486858), wk = 0.0024510 k( 303) = ( -0.2767895 0.8455464 0.7689205), wk = 0.0024510 k( 304) = ( -0.2767895 0.8455464 0.7891553), wk = 0.0024510 k( 305) = ( -0.2767895 0.8455464 0.7891553), wk = 0.0024510 k( 306) = ( -0.2829898 0.8266055 0.7891553), wk = 0.0024510 k( 307) = ( -0.2891901 0.8076646 0.7891553), wk = 0.0024510 k( 308) = ( -0.2953904 0.7887238 0.7891553), wk = 0.0024510 k( 309) = ( -0.3015907 0.7697829 0.7891553), wk = 0.0024510 k( 310) = ( -0.3077909 0.7508420 0.7891553), wk = 0.0024510 k( 311) = ( -0.3139912 0.7319012 0.7891553), wk = 0.0024510 k( 312) = ( -0.3201915 0.7129603 0.7891553), wk = 0.0024510 k( 313) = ( -0.3263918 0.6940194 0.7891553), wk = 0.0024510 k( 314) = ( -0.3325921 0.6750785 0.7891553), wk = 0.0024510 k( 315) = ( -0.3387924 0.6561377 0.7891553), wk = 0.0024510 k( 316) = ( -0.3449927 0.6371968 0.7891553), wk = 0.0024510 k( 317) = ( -0.3511930 0.6182559 0.7891553), wk = 0.0024510 k( 318) = ( -0.3573933 0.5993150 0.7891553), wk = 0.0024510 k( 319) = ( -0.3635936 0.5803742 0.7891553), wk = 0.0024510 k( 320) = ( -0.3697939 0.5614333 0.7891553), wk = 0.0024510 k( 321) = ( -0.3759942 0.5424924 0.7891553), wk = 0.0024510 k( 322) = ( -0.3821945 0.5235515 0.7891553), wk = 0.0024510 k( 323) = ( -0.3883947 0.5046107 0.7891553), wk = 0.0024510 k( 324) = ( -0.3945950 0.4856698 0.7891553), wk = 0.0024510 k( 325) = ( -0.4007953 0.4667289 0.7891553), wk = 0.0024510 k( 326) = ( -0.4069956 0.4477880 0.7891553), wk = 0.0024510 k( 327) = ( -0.4131959 0.4288472 0.7891553), wk = 0.0024510 k( 328) = ( -0.4193962 0.4099063 0.7891553), wk = 0.0024510 k( 329) = ( -0.4255965 0.3909654 0.7891553), wk = 0.0024510 k( 330) = ( -0.4317968 0.3720245 0.7891553), wk = 0.0024510 k( 331) = ( -0.4379971 0.3530837 0.7891553), wk = 0.0024510 k( 332) = ( -0.4441974 0.3341428 0.7891553), wk = 0.0024510 k( 333) = ( -0.4503977 0.3152019 0.7891553), wk = 0.0024510 k( 334) = ( -0.4565979 0.2962611 0.7891553), wk = 0.0024510 k( 335) = ( -0.4627983 0.2773202 0.7891553), wk = 0.0024510 k( 336) = ( -0.4689985 0.2583793 0.7891553), wk = 0.0024510 k( 337) = ( -0.4751988 0.2394384 0.7891553), wk = 0.0024510 k( 338) = ( -0.4813991 0.2204976 0.7891553), wk = 0.0024510 k( 339) = ( -0.4875994 0.2015567 0.7891553), wk = 0.0024510 k( 340) = ( -0.4937997 0.1826158 0.7891553), wk = 0.0024510 k( 341) = ( -0.5000000 0.1636749 0.7891553), wk = 0.0024510 k( 342) = ( -0.5000000 0.1636749 0.7891553), wk = 0.0024510 k( 343) = ( -0.5000000 0.1636749 0.7689205), wk = 0.0024510 k( 344) = ( -0.5000000 0.1636749 0.7486858), wk = 0.0024510 k( 345) = ( -0.5000000 0.1636749 0.7284510), wk = 0.0024510 k( 346) = ( -0.5000000 0.1636749 0.7082163), wk = 0.0024510 k( 347) = ( -0.5000000 0.1636749 0.6879815), wk = 0.0024510 k( 348) = ( -0.5000000 0.1636749 0.6677468), wk = 0.0024510 k( 349) = ( -0.5000000 0.1636749 0.6475120), wk = 0.0024510 k( 350) = ( -0.5000000 0.1636749 0.6272773), wk = 0.0024510 k( 351) = ( -0.5000000 0.1636749 0.6070425), wk = 0.0024510 k( 352) = ( -0.5000000 0.1636749 0.5868078), wk = 0.0024510 k( 353) = ( -0.5000000 0.1636749 0.5665730), wk = 0.0024510 k( 354) = ( -0.5000000 0.1636749 0.5463383), wk = 0.0024510 k( 355) = ( -0.5000000 0.1636749 0.5261035), wk = 0.0024510 k( 356) = ( -0.5000000 0.1636749 0.5058688), wk = 0.0024510 k( 357) = ( -0.5000000 0.1636749 0.4856340), wk = 0.0024510 k( 358) = ( -0.5000000 0.1636749 0.4653993), wk = 0.0024510 k( 359) = ( -0.5000000 0.1636749 0.4451645), wk = 0.0024510 k( 360) = ( -0.5000000 0.1636749 0.4249298), wk = 0.0024510 k( 361) = ( -0.5000000 0.1636749 0.4046950), wk = 0.0024510 k( 362) = ( -0.5000000 0.1636749 0.3844603), wk = 0.0024510 k( 363) = ( -0.5000000 0.1636749 0.3642255), wk = 0.0024510 k( 364) = ( -0.5000000 0.1636749 0.3439908), wk = 0.0024510 k( 365) = ( -0.5000000 0.1636749 0.3237560), wk = 0.0024510 k( 366) = ( -0.5000000 0.1636749 0.3035213), wk = 0.0024510 k( 367) = ( -0.5000000 0.1636749 0.2832865), wk = 0.0024510 k( 368) = ( -0.5000000 0.1636749 0.2630518), wk = 0.0024510 k( 369) = ( -0.5000000 0.1636749 0.2428170), wk = 0.0024510 k( 370) = ( -0.5000000 0.1636749 0.2225823), wk = 0.0024510 k( 371) = ( -0.5000000 0.1636749 0.2023475), wk = 0.0024510 k( 372) = ( -0.5000000 0.1636749 0.1821128), wk = 0.0024510 k( 373) = ( -0.5000000 0.1636749 0.1618780), wk = 0.0024510 k( 374) = ( -0.5000000 0.1636749 0.1416433), wk = 0.0024510 k( 375) = ( -0.5000000 0.1636749 0.1214085), wk = 0.0024510 k( 376) = ( -0.5000000 0.1636749 0.1011737), wk = 0.0024510 k( 377) = ( -0.5000000 0.1636749 0.0809390), wk = 0.0024510 k( 378) = ( -0.5000000 0.1636749 0.0607043), wk = 0.0024510 k( 379) = ( -0.5000000 0.1636749 0.0404695), wk = 0.0024510 k( 380) = ( -0.5000000 0.1636749 0.0202347), wk = 0.0024510 k( 381) = ( -0.5000000 0.1636749 0.0000000), wk = 0.0024510 k( 382) = ( 0.0000000 0.0000000 0.7891553), wk = 0.0024510 k( 383) = ( -0.0192308 0.0062952 0.7891553), wk = 0.0024510 k( 384) = ( -0.0384615 0.0125904 0.7891553), wk = 0.0024510 k( 385) = ( -0.0576923 0.0188856 0.7891553), wk = 0.0024510 k( 386) = ( -0.0769231 0.0251808 0.7891553), wk = 0.0024510 k( 387) = ( -0.0961538 0.0314759 0.7891553), wk = 0.0024510 k( 388) = ( -0.1153846 0.0377711 0.7891553), wk = 0.0024510 k( 389) = ( -0.1346154 0.0440663 0.7891553), wk = 0.0024510 k( 390) = ( -0.1538461 0.0503615 0.7891553), wk = 0.0024510 k( 391) = ( -0.1730769 0.0566567 0.7891553), wk = 0.0024510 k( 392) = ( -0.1923077 0.0629519 0.7891553), wk = 0.0024510 k( 393) = ( -0.2115385 0.0692471 0.7891553), wk = 0.0024510 k( 394) = ( -0.2307692 0.0755423 0.7891553), wk = 0.0024510 k( 395) = ( -0.2500000 0.0818375 0.7891553), wk = 0.0024510 k( 396) = ( -0.2692308 0.0881327 0.7891553), wk = 0.0024510 k( 397) = ( -0.2884615 0.0944278 0.7891553), wk = 0.0024510 k( 398) = ( -0.3076923 0.1007230 0.7891553), wk = 0.0024510 k( 399) = ( -0.3269231 0.1070182 0.7891553), wk = 0.0024510 k( 400) = ( -0.3461538 0.1133134 0.7891553), wk = 0.0024510 k( 401) = ( -0.3653846 0.1196086 0.7891553), wk = 0.0024510 k( 402) = ( -0.3846154 0.1259038 0.7891553), wk = 0.0024510 k( 403) = ( -0.4038462 0.1321990 0.7891553), wk = 0.0024510 k( 404) = ( -0.4230769 0.1384942 0.7891553), wk = 0.0024510 k( 405) = ( -0.4423077 0.1447894 0.7891553), wk = 0.0024510 k( 406) = ( -0.4615385 0.1510845 0.7891553), wk = 0.0024510 k( 407) = ( -0.4807692 0.1573797 0.7891553), wk = 0.0024510 k( 408) = ( -0.5000000 0.1636749 0.7891553), wk = 0.0024510 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024510 k( 2) = ( 0.0062907 0.0062907 -0.0000000), wk = 0.0024510 k( 3) = ( 0.0125813 0.0125813 -0.0000000), wk = 0.0024510 k( 4) = ( 0.0188720 0.0188720 0.0000000), wk = 0.0024510 k( 5) = ( 0.0251627 0.0251627 -0.0000000), wk = 0.0024510 k( 6) = ( 0.0314533 0.0314534 0.0000000), wk = 0.0024510 k( 7) = ( 0.0377440 0.0377440 0.0000000), wk = 0.0024510 k( 8) = ( 0.0440347 0.0440347 0.0000000), wk = 0.0024510 k( 9) = ( 0.0503254 0.0503254 -0.0000000), wk = 0.0024510 k( 10) = ( 0.0566160 0.0566160 0.0000000), wk = 0.0024510 k( 11) = ( 0.0629067 0.0629067 0.0000000), wk = 0.0024510 k( 12) = ( 0.0691974 0.0691974 -0.0000000), wk = 0.0024510 k( 13) = ( 0.0754880 0.0754880 0.0000000), wk = 0.0024510 k( 14) = ( 0.0817787 0.0817787 0.0000000), wk = 0.0024510 k( 15) = ( 0.0880694 0.0880694 0.0000000), wk = 0.0024510 k( 16) = ( 0.0943601 0.0943601 0.0000000), wk = 0.0024510 k( 17) = ( 0.1006507 0.1006507 -0.0000000), wk = 0.0024510 k( 18) = ( 0.1069414 0.1069414 -0.0000000), wk = 0.0024510 k( 19) = ( 0.1132321 0.1132321 0.0000000), wk = 0.0024510 k( 20) = ( 0.1195227 0.1195227 -0.0000000), wk = 0.0024510 k( 21) = ( 0.1258134 0.1258134 0.0000000), wk = 0.0024510 k( 22) = ( 0.1321041 0.1321041 0.0000000), wk = 0.0024510 k( 23) = ( 0.1383947 0.1383947 -0.0000000), wk = 0.0024510 k( 24) = ( 0.1446854 0.1446854 0.0000000), wk = 0.0024510 k( 25) = ( 0.1509761 0.1509761 0.0000000), wk = 0.0024510 k( 26) = ( 0.1572668 0.1572667 -0.0000000), wk = 0.0024510 k( 27) = ( 0.1635574 0.1635574 0.0000000), wk = 0.0024510 k( 28) = ( 0.1698481 0.1698481 0.0000000), wk = 0.0024510 k( 29) = ( 0.1761388 0.1761388 0.0000000), wk = 0.0024510 k( 30) = ( 0.1824294 0.1824294 0.0000000), wk = 0.0024510 k( 31) = ( 0.1887201 0.1887201 0.0000000), wk = 0.0024510 k( 32) = ( 0.1950108 0.1950108 0.0000000), wk = 0.0024510 k( 33) = ( 0.2013014 0.2013014 -0.0000000), wk = 0.0024510 k( 34) = ( 0.2075921 0.2075921 0.0000000), wk = 0.0024510 k( 35) = ( 0.2138828 0.2138828 -0.0000000), wk = 0.0024510 k( 36) = ( 0.2201734 0.2201734 0.0000000), wk = 0.0024510 k( 37) = ( 0.2264641 0.2264641 0.0000000), wk = 0.0024510 k( 38) = ( 0.2327548 0.2327548 0.0000000), wk = 0.0024510 k( 39) = ( 0.2390455 0.2390455 -0.0000000), wk = 0.0024510 k( 40) = ( 0.2453361 0.2453361 0.0000000), wk = 0.0024510 k( 41) = ( 0.2516268 0.2516268 0.0000000), wk = 0.0024510 k( 42) = ( 0.2579175 0.2579175 0.0000000), wk = 0.0024510 k( 43) = ( 0.2642081 0.2642081 0.0000000), wk = 0.0024510 k( 44) = ( 0.2704988 0.2704988 0.0000000), wk = 0.0024510 k( 45) = ( 0.2767895 0.2767895 -0.0000000), wk = 0.0024510 k( 46) = ( 0.2767895 0.2767895 -0.0000000), wk = 0.0024510 k( 47) = ( 0.2570188 0.2927331 0.0000000), wk = 0.0024510 k( 48) = ( 0.2372481 0.3086767 0.0000000), wk = 0.0024510 k( 49) = ( 0.2174774 0.3246203 0.0000000), wk = 0.0024510 k( 50) = ( 0.1977068 0.3405639 -0.0000000), wk = 0.0024510 k( 51) = ( 0.1779361 0.3565075 0.0000000), wk = 0.0024510 k( 52) = ( 0.1581654 0.3724511 0.0000000), wk = 0.0024510 k( 53) = ( 0.1383947 0.3883947 0.0000000), wk = 0.0024510 k( 54) = ( 0.1186241 0.4043383 -0.0000000), wk = 0.0024510 k( 55) = ( 0.0988534 0.4202820 0.0000000), wk = 0.0024510 k( 56) = ( 0.0790827 0.4362256 -0.0000000), wk = 0.0024510 k( 57) = ( 0.0593120 0.4521692 0.0000000), wk = 0.0024510 k( 58) = ( 0.0395414 0.4681128 0.0000000), wk = 0.0024510 k( 59) = ( 0.0197707 0.4840564 0.0000000), wk = 0.0024510 k( 60) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024510 k( 61) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024510 k( 62) = ( 0.0000000 0.5000000 0.0128205), wk = 0.0024510 k( 63) = ( 0.0000000 0.5000000 0.0256410), wk = 0.0024510 k( 64) = ( 0.0000000 0.5000000 0.0384615), wk = 0.0024510 k( 65) = ( 0.0000000 0.5000000 0.0512821), wk = 0.0024510 k( 66) = ( 0.0000000 0.5000000 0.0641026), wk = 0.0024510 k( 67) = ( 0.0000000 0.5000000 0.0769231), wk = 0.0024510 k( 68) = ( 0.0000000 0.5000000 0.0897436), wk = 0.0024510 k( 69) = ( 0.0000000 0.5000000 0.1025641), wk = 0.0024510 k( 70) = ( 0.0000000 0.5000000 0.1153846), wk = 0.0024510 k( 71) = ( 0.0000000 0.5000000 0.1282051), wk = 0.0024510 k( 72) = ( 0.0000000 0.5000000 0.1410256), wk = 0.0024510 k( 73) = ( 0.0000000 0.5000000 0.1538461), wk = 0.0024510 k( 74) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0024510 k( 75) = ( 0.0000000 0.5000000 0.1794872), wk = 0.0024510 k( 76) = ( 0.0000000 0.5000000 0.1923077), wk = 0.0024510 k( 77) = ( 0.0000000 0.5000000 0.2051282), wk = 0.0024510 k( 78) = ( 0.0000000 0.5000000 0.2179487), wk = 0.0024510 k( 79) = ( 0.0000000 0.5000000 0.2307692), wk = 0.0024510 k( 80) = ( 0.0000000 0.5000000 0.2435897), wk = 0.0024510 k( 81) = ( 0.0000000 0.5000000 0.2564103), wk = 0.0024510 k( 82) = ( 0.0000000 0.5000000 0.2692308), wk = 0.0024510 k( 83) = ( 0.0000000 0.5000000 0.2820513), wk = 0.0024510 k( 84) = ( 0.0000000 0.5000000 0.2948718), wk = 0.0024510 k( 85) = ( 0.0000000 0.5000000 0.3076923), wk = 0.0024510 k( 86) = ( 0.0000000 0.5000000 0.3205128), wk = 0.0024510 k( 87) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0024510 k( 88) = ( 0.0000000 0.5000000 0.3461539), wk = 0.0024510 k( 89) = ( 0.0000000 0.5000000 0.3589744), wk = 0.0024510 k( 90) = ( 0.0000000 0.5000000 0.3717949), wk = 0.0024510 k( 91) = ( 0.0000000 0.5000000 0.3846154), wk = 0.0024510 k( 92) = ( 0.0000000 0.5000000 0.3974359), wk = 0.0024510 k( 93) = ( 0.0000000 0.5000000 0.4102564), wk = 0.0024510 k( 94) = ( 0.0000000 0.5000000 0.4230769), wk = 0.0024510 k( 95) = ( 0.0000000 0.5000000 0.4358974), wk = 0.0024510 k( 96) = ( 0.0000000 0.5000000 0.4487180), wk = 0.0024510 k( 97) = ( 0.0000000 0.5000000 0.4615385), wk = 0.0024510 k( 98) = ( 0.0000000 0.5000000 0.4743590), wk = 0.0024510 k( 99) = ( 0.0000000 0.5000000 0.4871795), wk = 0.0024510 k( 100) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024510 k( 101) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024510 k( 102) = ( 0.0197707 0.4840564 0.5000000), wk = 0.0024510 k( 103) = ( 0.0395414 0.4681128 0.5000000), wk = 0.0024510 k( 104) = ( 0.0593120 0.4521692 0.5000000), wk = 0.0024510 k( 105) = ( 0.0790827 0.4362256 0.5000000), wk = 0.0024510 k( 106) = ( 0.0988534 0.4202820 0.5000000), wk = 0.0024510 k( 107) = ( 0.1186241 0.4043383 0.5000000), wk = 0.0024510 k( 108) = ( 0.1383947 0.3883947 0.5000000), wk = 0.0024510 k( 109) = ( 0.1581654 0.3724511 0.5000000), wk = 0.0024510 k( 110) = ( 0.1779361 0.3565075 0.5000000), wk = 0.0024510 k( 111) = ( 0.1977068 0.3405639 0.5000000), wk = 0.0024510 k( 112) = ( 0.2174774 0.3246203 0.5000000), wk = 0.0024510 k( 113) = ( 0.2372481 0.3086767 0.5000000), wk = 0.0024510 k( 114) = ( 0.2570188 0.2927331 0.5000000), wk = 0.0024510 k( 115) = ( 0.2767895 0.2767895 0.5000000), wk = 0.0024510 k( 116) = ( 0.2767895 0.2767895 0.5000000), wk = 0.0024510 k( 117) = ( 0.2704988 0.2704988 0.5000000), wk = 0.0024510 k( 118) = ( 0.2642081 0.2642081 0.5000000), wk = 0.0024510 k( 119) = ( 0.2579175 0.2579175 0.5000000), wk = 0.0024510 k( 120) = ( 0.2516268 0.2516268 0.5000000), wk = 0.0024510 k( 121) = ( 0.2453361 0.2453361 0.5000000), wk = 0.0024510 k( 122) = ( 0.2390455 0.2390455 0.5000000), wk = 0.0024510 k( 123) = ( 0.2327548 0.2327548 0.5000000), wk = 0.0024510 k( 124) = ( 0.2264641 0.2264641 0.5000000), wk = 0.0024510 k( 125) = ( 0.2201734 0.2201734 0.5000000), wk = 0.0024510 k( 126) = ( 0.2138828 0.2138828 0.5000000), wk = 0.0024510 k( 127) = ( 0.2075921 0.2075921 0.5000000), wk = 0.0024510 k( 128) = ( 0.2013014 0.2013014 0.5000000), wk = 0.0024510 k( 129) = ( 0.1950108 0.1950108 0.5000000), wk = 0.0024510 k( 130) = ( 0.1887201 0.1887201 0.5000000), wk = 0.0024510 k( 131) = ( 0.1824294 0.1824294 0.5000000), wk = 0.0024510 k( 132) = ( 0.1761388 0.1761388 0.5000000), wk = 0.0024510 k( 133) = ( 0.1698481 0.1698481 0.5000000), wk = 0.0024510 k( 134) = ( 0.1635574 0.1635574 0.5000000), wk = 0.0024510 k( 135) = ( 0.1572668 0.1572667 0.5000000), wk = 0.0024510 k( 136) = ( 0.1509761 0.1509761 0.5000000), wk = 0.0024510 k( 137) = ( 0.1446854 0.1446854 0.5000000), wk = 0.0024510 k( 138) = ( 0.1383947 0.1383947 0.5000000), wk = 0.0024510 k( 139) = ( 0.1321041 0.1321041 0.5000000), wk = 0.0024510 k( 140) = ( 0.1258134 0.1258134 0.5000000), wk = 0.0024510 k( 141) = ( 0.1195227 0.1195227 0.5000000), wk = 0.0024510 k( 142) = ( 0.1132321 0.1132321 0.5000000), wk = 0.0024510 k( 143) = ( 0.1069414 0.1069414 0.5000000), wk = 0.0024510 k( 144) = ( 0.1006507 0.1006507 0.5000000), wk = 0.0024510 k( 145) = ( 0.0943601 0.0943601 0.5000000), wk = 0.0024510 k( 146) = ( 0.0880694 0.0880694 0.5000000), wk = 0.0024510 k( 147) = ( 0.0817787 0.0817787 0.5000000), wk = 0.0024510 k( 148) = ( 0.0754880 0.0754880 0.5000000), wk = 0.0024510 k( 149) = ( 0.0691974 0.0691974 0.5000000), wk = 0.0024510 k( 150) = ( 0.0629067 0.0629067 0.5000000), wk = 0.0024510 k( 151) = ( 0.0566160 0.0566160 0.5000000), wk = 0.0024510 k( 152) = ( 0.0503254 0.0503254 0.5000000), wk = 0.0024510 k( 153) = ( 0.0440347 0.0440347 0.5000000), wk = 0.0024510 k( 154) = ( 0.0377440 0.0377440 0.5000000), wk = 0.0024510 k( 155) = ( 0.0314533 0.0314534 0.5000000), wk = 0.0024510 k( 156) = ( 0.0251627 0.0251627 0.5000000), wk = 0.0024510 k( 157) = ( 0.0188720 0.0188720 0.5000000), wk = 0.0024510 k( 158) = ( 0.0125813 0.0125813 0.5000000), wk = 0.0024510 k( 159) = ( 0.0062907 0.0062907 0.5000000), wk = 0.0024510 k( 160) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024510 k( 161) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024510 k( 162) = ( 0.0000000 0.0000000 0.4871795), wk = 0.0024510 k( 163) = ( 0.0000000 0.0000000 0.4743590), wk = 0.0024510 k( 164) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0024510 k( 165) = ( 0.0000000 0.0000000 0.4487179), wk = 0.0024510 k( 166) = ( 0.0000000 0.0000000 0.4358974), wk = 0.0024510 k( 167) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0024510 k( 168) = ( 0.0000000 0.0000000 0.4102564), wk = 0.0024510 k( 169) = ( 0.0000000 0.0000000 0.3974359), wk = 0.0024510 k( 170) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0024510 k( 171) = ( 0.0000000 0.0000000 0.3717949), wk = 0.0024510 k( 172) = ( 0.0000000 0.0000000 0.3589744), wk = 0.0024510 k( 173) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0024510 k( 174) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0024510 k( 175) = ( 0.0000000 0.0000000 0.3205128), wk = 0.0024510 k( 176) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0024510 k( 177) = ( 0.0000000 0.0000000 0.2948718), wk = 0.0024510 k( 178) = ( 0.0000000 0.0000000 0.2820513), wk = 0.0024510 k( 179) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0024510 k( 180) = ( 0.0000000 0.0000000 0.2564103), wk = 0.0024510 k( 181) = ( 0.0000000 0.0000000 0.2435897), wk = 0.0024510 k( 182) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0024510 k( 183) = ( 0.0000000 0.0000000 0.2179487), wk = 0.0024510 k( 184) = ( 0.0000000 0.0000000 0.2051282), wk = 0.0024510 k( 185) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0024510 k( 186) = ( 0.0000000 0.0000000 0.1794872), wk = 0.0024510 k( 187) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0024510 k( 188) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0024510 k( 189) = ( 0.0000000 0.0000000 0.1410256), wk = 0.0024510 k( 190) = ( 0.0000000 0.0000000 0.1282051), wk = 0.0024510 k( 191) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0024510 k( 192) = ( 0.0000000 0.0000000 0.1025641), wk = 0.0024510 k( 193) = ( 0.0000000 0.0000000 0.0897436), wk = 0.0024510 k( 194) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0024510 k( 195) = ( 0.0000000 0.0000000 0.0641026), wk = 0.0024510 k( 196) = ( 0.0000000 0.0000000 0.0512821), wk = 0.0024510 k( 197) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0024510 k( 198) = ( 0.0000000 0.0000000 0.0256410), wk = 0.0024510 k( 199) = ( 0.0000000 0.0000000 0.0128205), wk = 0.0024510 k( 200) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024510 k( 201) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024510 k( 202) = ( -0.0192308 0.0192308 -0.0000000), wk = 0.0024510 k( 203) = ( -0.0384615 0.0384615 -0.0000000), wk = 0.0024510 k( 204) = ( -0.0576923 0.0576923 0.0000000), wk = 0.0024510 k( 205) = ( -0.0769231 0.0769231 -0.0000000), wk = 0.0024510 k( 206) = ( -0.0961538 0.0961538 0.0000000), wk = 0.0024510 k( 207) = ( -0.1153846 0.1153846 0.0000000), wk = 0.0024510 k( 208) = ( -0.1346154 0.1346154 0.0000000), wk = 0.0024510 k( 209) = ( -0.1538461 0.1538461 0.0000000), wk = 0.0024510 k( 210) = ( -0.1730769 0.1730769 -0.0000000), wk = 0.0024510 k( 211) = ( -0.1923077 0.1923077 0.0000000), wk = 0.0024510 k( 212) = ( -0.2115385 0.2115385 0.0000000), wk = 0.0024510 k( 213) = ( -0.2307692 0.2307692 -0.0000000), wk = 0.0024510 k( 214) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0024510 k( 215) = ( -0.2692308 0.2692308 0.0000000), wk = 0.0024510 k( 216) = ( -0.2884615 0.2884615 -0.0000000), wk = 0.0024510 k( 217) = ( -0.3076923 0.3076923 0.0000000), wk = 0.0024510 k( 218) = ( -0.3269231 0.3269231 0.0000000), wk = 0.0024510 k( 219) = ( -0.3461538 0.3461538 0.0000000), wk = 0.0024510 k( 220) = ( -0.3653846 0.3653846 0.0000000), wk = 0.0024510 k( 221) = ( -0.3846154 0.3846154 0.0000000), wk = 0.0024510 k( 222) = ( -0.4038462 0.4038461 -0.0000000), wk = 0.0024510 k( 223) = ( -0.4230769 0.4230769 0.0000000), wk = 0.0024510 k( 224) = ( -0.4423077 0.4423077 0.0000000), wk = 0.0024510 k( 225) = ( -0.4615385 0.4615385 -0.0000000), wk = 0.0024510 k( 226) = ( -0.4807692 0.4807692 0.0000000), wk = 0.0024510 k( 227) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0024510 k( 228) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0024510 k( 229) = ( -0.4937997 0.5062003 -0.0000000), wk = 0.0024510 k( 230) = ( -0.4875994 0.5124006 0.0000000), wk = 0.0024510 k( 231) = ( -0.4813991 0.5186009 0.0000000), wk = 0.0024510 k( 232) = ( -0.4751988 0.5248012 0.0000000), wk = 0.0024510 k( 233) = ( -0.4689985 0.5310015 0.0000000), wk = 0.0024510 k( 234) = ( -0.4627983 0.5372018 0.0000000), wk = 0.0024510 k( 235) = ( -0.4565979 0.5434020 0.0000000), wk = 0.0024510 k( 236) = ( -0.4503977 0.5496023 0.0000000), wk = 0.0024510 k( 237) = ( -0.4441974 0.5558026 -0.0000000), wk = 0.0024510 k( 238) = ( -0.4379971 0.5620029 0.0000000), wk = 0.0024510 k( 239) = ( -0.4317968 0.5682032 0.0000000), wk = 0.0024510 k( 240) = ( -0.4255965 0.5744035 0.0000000), wk = 0.0024510 k( 241) = ( -0.4193962 0.5806038 0.0000000), wk = 0.0024510 k( 242) = ( -0.4131959 0.5868041 0.0000000), wk = 0.0024510 k( 243) = ( -0.4069956 0.5930044 0.0000000), wk = 0.0024510 k( 244) = ( -0.4007953 0.5992047 -0.0000000), wk = 0.0024510 k( 245) = ( -0.3945950 0.6054050 0.0000000), wk = 0.0024510 k( 246) = ( -0.3883947 0.6116053 0.0000000), wk = 0.0024510 k( 247) = ( -0.3821945 0.6178055 0.0000000), wk = 0.0024510 k( 248) = ( -0.3759942 0.6240058 -0.0000000), wk = 0.0024510 k( 249) = ( -0.3697939 0.6302061 0.0000000), wk = 0.0024510 k( 250) = ( -0.3635936 0.6364064 0.0000000), wk = 0.0024510 k( 251) = ( -0.3573933 0.6426067 0.0000000), wk = 0.0024510 k( 252) = ( -0.3511930 0.6488070 0.0000000), wk = 0.0024510 k( 253) = ( -0.3449927 0.6550073 0.0000000), wk = 0.0024510 k( 254) = ( -0.3387924 0.6612076 0.0000000), wk = 0.0024510 k( 255) = ( -0.3325921 0.6674079 0.0000000), wk = 0.0024510 k( 256) = ( -0.3263918 0.6736082 0.0000000), wk = 0.0024510 k( 257) = ( -0.3201915 0.6798085 0.0000000), wk = 0.0024510 k( 258) = ( -0.3139912 0.6860088 0.0000000), wk = 0.0024510 k( 259) = ( -0.3077909 0.6922091 0.0000000), wk = 0.0024510 k( 260) = ( -0.3015907 0.6984094 -0.0000000), wk = 0.0024510 k( 261) = ( -0.2953904 0.7046096 0.0000000), wk = 0.0024510 k( 262) = ( -0.2891901 0.7108099 0.0000000), wk = 0.0024510 k( 263) = ( -0.2829898 0.7170102 0.0000000), wk = 0.0024510 k( 264) = ( -0.2767895 0.7232105 -0.0000000), wk = 0.0024510 k( 265) = ( -0.2767895 0.7232105 -0.0000000), wk = 0.0024510 k( 266) = ( -0.2767895 0.7232105 0.0128205), wk = 0.0024510 k( 267) = ( -0.2767895 0.7232105 0.0256410), wk = 0.0024510 k( 268) = ( -0.2767895 0.7232105 0.0384615), wk = 0.0024510 k( 269) = ( -0.2767895 0.7232105 0.0512820), wk = 0.0024510 k( 270) = ( -0.2767895 0.7232105 0.0641026), wk = 0.0024510 k( 271) = ( -0.2767895 0.7232105 0.0769231), wk = 0.0024510 k( 272) = ( -0.2767895 0.7232105 0.0897436), wk = 0.0024510 k( 273) = ( -0.2767895 0.7232105 0.1025641), wk = 0.0024510 k( 274) = ( -0.2767895 0.7232105 0.1153846), wk = 0.0024510 k( 275) = ( -0.2767895 0.7232105 0.1282051), wk = 0.0024510 k( 276) = ( -0.2767895 0.7232105 0.1410256), wk = 0.0024510 k( 277) = ( -0.2767895 0.7232105 0.1538461), wk = 0.0024510 k( 278) = ( -0.2767895 0.7232105 0.1666667), wk = 0.0024510 k( 279) = ( -0.2767895 0.7232105 0.1794872), wk = 0.0024510 k( 280) = ( -0.2767895 0.7232105 0.1923077), wk = 0.0024510 k( 281) = ( -0.2767895 0.7232105 0.2051282), wk = 0.0024510 k( 282) = ( -0.2767895 0.7232105 0.2179487), wk = 0.0024510 k( 283) = ( -0.2767895 0.7232105 0.2307692), wk = 0.0024510 k( 284) = ( -0.2767895 0.7232105 0.2435897), wk = 0.0024510 k( 285) = ( -0.2767895 0.7232105 0.2564103), wk = 0.0024510 k( 286) = ( -0.2767895 0.7232105 0.2692308), wk = 0.0024510 k( 287) = ( -0.2767895 0.7232105 0.2820513), wk = 0.0024510 k( 288) = ( -0.2767895 0.7232105 0.2948718), wk = 0.0024510 k( 289) = ( -0.2767895 0.7232105 0.3076923), wk = 0.0024510 k( 290) = ( -0.2767895 0.7232105 0.3205128), wk = 0.0024510 k( 291) = ( -0.2767895 0.7232105 0.3333333), wk = 0.0024510 k( 292) = ( -0.2767895 0.7232105 0.3461539), wk = 0.0024510 k( 293) = ( -0.2767895 0.7232105 0.3589744), wk = 0.0024510 k( 294) = ( -0.2767895 0.7232105 0.3717949), wk = 0.0024510 k( 295) = ( -0.2767895 0.7232105 0.3846154), wk = 0.0024510 k( 296) = ( -0.2767895 0.7232105 0.3974359), wk = 0.0024510 k( 297) = ( -0.2767895 0.7232105 0.4102564), wk = 0.0024510 k( 298) = ( -0.2767895 0.7232105 0.4230769), wk = 0.0024510 k( 299) = ( -0.2767895 0.7232105 0.4358974), wk = 0.0024510 k( 300) = ( -0.2767895 0.7232105 0.4487180), wk = 0.0024510 k( 301) = ( -0.2767895 0.7232105 0.4615385), wk = 0.0024510 k( 302) = ( -0.2767895 0.7232105 0.4743590), wk = 0.0024510 k( 303) = ( -0.2767895 0.7232105 0.4871795), wk = 0.0024510 k( 304) = ( -0.2767895 0.7232105 0.5000000), wk = 0.0024510 k( 305) = ( -0.2767895 0.7232105 0.5000000), wk = 0.0024510 k( 306) = ( -0.2829898 0.7170102 0.5000000), wk = 0.0024510 k( 307) = ( -0.2891901 0.7108099 0.5000000), wk = 0.0024510 k( 308) = ( -0.2953904 0.7046096 0.5000000), wk = 0.0024510 k( 309) = ( -0.3015907 0.6984094 0.5000000), wk = 0.0024510 k( 310) = ( -0.3077909 0.6922091 0.5000000), wk = 0.0024510 k( 311) = ( -0.3139912 0.6860088 0.5000000), wk = 0.0024510 k( 312) = ( -0.3201915 0.6798085 0.5000000), wk = 0.0024510 k( 313) = ( -0.3263918 0.6736082 0.5000000), wk = 0.0024510 k( 314) = ( -0.3325921 0.6674079 0.5000000), wk = 0.0024510 k( 315) = ( -0.3387924 0.6612076 0.5000000), wk = 0.0024510 k( 316) = ( -0.3449927 0.6550073 0.5000000), wk = 0.0024510 k( 317) = ( -0.3511930 0.6488070 0.5000000), wk = 0.0024510 k( 318) = ( -0.3573933 0.6426067 0.5000000), wk = 0.0024510 k( 319) = ( -0.3635936 0.6364064 0.5000000), wk = 0.0024510 k( 320) = ( -0.3697939 0.6302061 0.5000000), wk = 0.0024510 k( 321) = ( -0.3759942 0.6240058 0.5000000), wk = 0.0024510 k( 322) = ( -0.3821945 0.6178055 0.5000000), wk = 0.0024510 k( 323) = ( -0.3883947 0.6116053 0.5000000), wk = 0.0024510 k( 324) = ( -0.3945950 0.6054050 0.5000000), wk = 0.0024510 k( 325) = ( -0.4007953 0.5992047 0.5000000), wk = 0.0024510 k( 326) = ( -0.4069956 0.5930044 0.5000000), wk = 0.0024510 k( 327) = ( -0.4131959 0.5868041 0.5000000), wk = 0.0024510 k( 328) = ( -0.4193962 0.5806038 0.5000000), wk = 0.0024510 k( 329) = ( -0.4255965 0.5744035 0.5000000), wk = 0.0024510 k( 330) = ( -0.4317968 0.5682032 0.5000000), wk = 0.0024510 k( 331) = ( -0.4379971 0.5620029 0.5000000), wk = 0.0024510 k( 332) = ( -0.4441974 0.5558026 0.5000000), wk = 0.0024510 k( 333) = ( -0.4503977 0.5496023 0.5000000), wk = 0.0024510 k( 334) = ( -0.4565979 0.5434020 0.5000000), wk = 0.0024510 k( 335) = ( -0.4627983 0.5372018 0.5000000), wk = 0.0024510 k( 336) = ( -0.4689985 0.5310015 0.5000000), wk = 0.0024510 k( 337) = ( -0.4751988 0.5248012 0.5000000), wk = 0.0024510 k( 338) = ( -0.4813991 0.5186009 0.5000000), wk = 0.0024510 k( 339) = ( -0.4875994 0.5124006 0.5000000), wk = 0.0024510 k( 340) = ( -0.4937997 0.5062003 0.5000000), wk = 0.0024510 k( 341) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024510 k( 342) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024510 k( 343) = ( -0.5000000 0.5000000 0.4871795), wk = 0.0024510 k( 344) = ( -0.5000000 0.5000000 0.4743590), wk = 0.0024510 k( 345) = ( -0.5000000 0.5000000 0.4615385), wk = 0.0024510 k( 346) = ( -0.5000000 0.5000000 0.4487179), wk = 0.0024510 k( 347) = ( -0.5000000 0.5000000 0.4358974), wk = 0.0024510 k( 348) = ( -0.5000000 0.5000000 0.4230769), wk = 0.0024510 k( 349) = ( -0.5000000 0.5000000 0.4102564), wk = 0.0024510 k( 350) = ( -0.5000000 0.5000000 0.3974359), wk = 0.0024510 k( 351) = ( -0.5000000 0.5000000 0.3846154), wk = 0.0024510 k( 352) = ( -0.5000000 0.5000000 0.3717949), wk = 0.0024510 k( 353) = ( -0.5000000 0.5000000 0.3589744), wk = 0.0024510 k( 354) = ( -0.5000000 0.5000000 0.3461538), wk = 0.0024510 k( 355) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0024510 k( 356) = ( -0.5000000 0.5000000 0.3205128), wk = 0.0024510 k( 357) = ( -0.5000000 0.5000000 0.3076923), wk = 0.0024510 k( 358) = ( -0.5000000 0.5000000 0.2948718), wk = 0.0024510 k( 359) = ( -0.5000000 0.5000000 0.2820513), wk = 0.0024510 k( 360) = ( -0.5000000 0.5000000 0.2692308), wk = 0.0024510 k( 361) = ( -0.5000000 0.5000000 0.2564103), wk = 0.0024510 k( 362) = ( -0.5000000 0.5000000 0.2435897), wk = 0.0024510 k( 363) = ( -0.5000000 0.5000000 0.2307692), wk = 0.0024510 k( 364) = ( -0.5000000 0.5000000 0.2179487), wk = 0.0024510 k( 365) = ( -0.5000000 0.5000000 0.2051282), wk = 0.0024510 k( 366) = ( -0.5000000 0.5000000 0.1923077), wk = 0.0024510 k( 367) = ( -0.5000000 0.5000000 0.1794872), wk = 0.0024510 k( 368) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0024510 k( 369) = ( -0.5000000 0.5000000 0.1538461), wk = 0.0024510 k( 370) = ( -0.5000000 0.5000000 0.1410256), wk = 0.0024510 k( 371) = ( -0.5000000 0.5000000 0.1282051), wk = 0.0024510 k( 372) = ( -0.5000000 0.5000000 0.1153846), wk = 0.0024510 k( 373) = ( -0.5000000 0.5000000 0.1025641), wk = 0.0024510 k( 374) = ( -0.5000000 0.5000000 0.0897436), wk = 0.0024510 k( 375) = ( -0.5000000 0.5000000 0.0769231), wk = 0.0024510 k( 376) = ( -0.5000000 0.5000000 0.0641026), wk = 0.0024510 k( 377) = ( -0.5000000 0.5000000 0.0512821), wk = 0.0024510 k( 378) = ( -0.5000000 0.5000000 0.0384615), wk = 0.0024510 k( 379) = ( -0.5000000 0.5000000 0.0256410), wk = 0.0024510 k( 380) = ( -0.5000000 0.5000000 0.0128205), wk = 0.0024510 k( 381) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0024510 k( 382) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024510 k( 383) = ( -0.0192308 0.0192308 0.5000000), wk = 0.0024510 k( 384) = ( -0.0384615 0.0384615 0.5000000), wk = 0.0024510 k( 385) = ( -0.0576923 0.0576923 0.5000000), wk = 0.0024510 k( 386) = ( -0.0769231 0.0769231 0.5000000), wk = 0.0024510 k( 387) = ( -0.0961538 0.0961538 0.5000000), wk = 0.0024510 k( 388) = ( -0.1153846 0.1153846 0.5000000), wk = 0.0024510 k( 389) = ( -0.1346154 0.1346154 0.5000000), wk = 0.0024510 k( 390) = ( -0.1538461 0.1538461 0.5000000), wk = 0.0024510 k( 391) = ( -0.1730769 0.1730769 0.5000000), wk = 0.0024510 k( 392) = ( -0.1923077 0.1923077 0.5000000), wk = 0.0024510 k( 393) = ( -0.2115385 0.2115385 0.5000000), wk = 0.0024510 k( 394) = ( -0.2307692 0.2307692 0.5000000), wk = 0.0024510 k( 395) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0024510 k( 396) = ( -0.2692308 0.2692308 0.5000000), wk = 0.0024510 k( 397) = ( -0.2884615 0.2884615 0.5000000), wk = 0.0024510 k( 398) = ( -0.3076923 0.3076923 0.5000000), wk = 0.0024510 k( 399) = ( -0.3269231 0.3269231 0.5000000), wk = 0.0024510 k( 400) = ( -0.3461538 0.3461538 0.5000000), wk = 0.0024510 k( 401) = ( -0.3653846 0.3653846 0.5000000), wk = 0.0024510 k( 402) = ( -0.3846154 0.3846154 0.5000000), wk = 0.0024510 k( 403) = ( -0.4038462 0.4038461 0.5000000), wk = 0.0024510 k( 404) = ( -0.4230769 0.4230769 0.5000000), wk = 0.0024510 k( 405) = ( -0.4423077 0.4423077 0.5000000), wk = 0.0024510 k( 406) = ( -0.4615385 0.4615385 0.5000000), wk = 0.0024510 k( 407) = ( -0.4807692 0.4807692 0.5000000), wk = 0.0024510 k( 408) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024510 Dense grid: 152053 G-vectors FFT dimensions: ( 96, 96, 60) Smooth grid: 33039 G-vectors FFT dimensions: ( 60, 60, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 192, 44) NL pseudopotentials 0.18 Mb ( 96, 124) Each V/rho on FFT grid 0.28 Mb ( 18432) Each G-vector array 0.02 Mb ( 3170) G-vector shells 0.01 Mb ( 1573) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.52 Mb ( 192, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) Each matrix 0.17 Mb ( 124, 2, 44) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./TiAl2.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.4 secs Computing kpt #: 2 total cpu time spent up to now is 45.0 secs Computing kpt #: 3 total cpu time spent up to now is 46.5 secs Computing kpt #: 4 total cpu time spent up to now is 48.3 secs Computing kpt #: 5 total cpu time spent up to now is 50.1 secs Computing kpt #: 6 total cpu time spent up to now is 52.1 secs Computing kpt #: 7 total cpu time spent up to now is 55.5 secs Computing kpt #: 8 total cpu time spent up to now is 59.6 secs Computing kpt #: 9 total cpu time spent up to now is 61.7 secs Computing kpt #: 10 total cpu time spent up to now is 63.3 secs Computing kpt #: 11 total cpu time spent up to now is 64.8 secs Computing kpt #: 12 total cpu time spent up to now is 66.3 secs Computing kpt #: 13 total cpu time spent up to now is 67.9 secs Computing kpt #: 14 total cpu time spent up to now is 69.5 secs Computing kpt #: 15 total cpu time spent up to now is 71.1 secs Computing kpt #: 16 total cpu time spent up to now is 73.0 secs Computing kpt #: 17 total cpu time spent up to now is 74.8 secs Computing kpt #: 18 total cpu time spent up to now is 77.8 secs Computing kpt #: 19 total cpu time spent up to now is 82.2 secs Computing kpt #: 20 total cpu time spent up to now is 83.9 secs Computing kpt #: 21 total cpu time spent up to now is 85.7 secs Computing kpt #: 22 total cpu time spent up to now is 87.4 secs Computing kpt #: 23 total cpu time spent up to now is 89.3 secs Computing kpt #: 24 total cpu time spent up to now is 90.8 secs Computing kpt #: 25 total cpu time spent up to now is 92.2 secs Computing kpt #: 26 total cpu time spent up to now is 93.6 secs Computing kpt #: 27 total cpu time spent up to now is 95.1 secs Computing kpt #: 28 total cpu time spent up to now is 96.6 secs Computing kpt #: 29 total cpu time spent up to now is 100.1 secs Computing kpt #: 30 total cpu time spent up to now is 102.5 secs Computing kpt #: 31 total cpu time spent up to now is 105.0 secs Computing kpt #: 32 total cpu time spent up to now is 106.6 secs Computing kpt #: 33 total cpu time spent up to now is 108.7 secs Computing kpt #: 34 total cpu time spent up to now is 110.9 secs Computing kpt #: 35 total cpu time spent up to now is 112.7 secs Computing kpt #: 36 total cpu time spent up to now is 114.4 secs Computing kpt #: 37 total cpu time spent up to now is 115.9 secs Computing kpt #: 38 total cpu time spent up to now is 117.4 secs Computing kpt #: 39 total cpu time spent up to now is 120.8 secs Computing kpt #: 40 total cpu time spent up to now is 125.2 secs Computing kpt #: 41 total cpu time spent up to now is 126.9 secs Computing kpt #: 42 total cpu time spent up to now is 129.0 secs Computing kpt #: 43 total cpu time spent up to now is 131.0 secs Computing kpt #: 44 total cpu time spent up to now is 133.0 secs Computing kpt #: 45 total cpu time spent up to now is 135.5 secs Computing kpt #: 46 total cpu time spent up to now is 138.0 secs Computing kpt #: 47 total cpu time spent up to now is 140.6 secs Computing kpt #: 48 total cpu time spent up to now is 143.4 secs Computing kpt #: 49 total cpu time spent up to now is 148.4 secs Computing kpt #: 50 total cpu time spent up to now is 150.9 secs Computing kpt #: 51 total cpu time spent up to now is 152.9 secs Computing kpt #: 52 total cpu time spent up to now is 155.0 secs Computing kpt #: 53 total cpu time spent up to now is 157.0 secs Computing kpt #: 54 total cpu time spent up to now is 159.0 secs Computing kpt #: 55 total cpu time spent up to now is 160.8 secs Computing kpt #: 56 total cpu time spent up to now is 165.4 secs Computing kpt #: 57 total cpu time spent up to now is 167.5 secs Computing kpt #: 58 total cpu time spent up to now is 169.3 secs Computing kpt #: 59 total cpu time spent up to now is 171.1 secs Computing kpt #: 60 total cpu time spent up to now is 173.8 secs Computing kpt #: 61 total cpu time spent up to now is 175.9 secs Computing kpt #: 62 total cpu time spent up to now is 178.0 secs Computing kpt #: 63 total cpu time spent up to now is 179.9 secs Computing kpt #: 64 total cpu time spent up to now is 181.8 secs Computing kpt #: 65 total cpu time spent up to now is 184.3 secs Computing kpt #: 66 total cpu time spent up to now is 186.4 secs Computing kpt #: 67 total cpu time spent up to now is 188.4 secs Computing kpt #: 68 total cpu time spent up to now is 191.0 secs Computing kpt #: 69 total cpu time spent up to now is 194.3 secs Computing kpt #: 70 total cpu time spent up to now is 198.4 secs Computing kpt #: 71 total cpu time spent up to now is 200.2 secs Computing kpt #: 72 total cpu time spent up to now is 202.5 secs Computing kpt #: 73 total cpu time spent up to now is 204.3 secs Computing kpt #: 74 total cpu time spent up to now is 206.0 secs Computing kpt #: 75 total cpu time spent up to now is 208.2 secs Computing kpt #: 76 total cpu time spent up to now is 210.0 secs Computing kpt #: 77 total cpu time spent up to now is 211.7 secs Computing kpt #: 78 total cpu time spent up to now is 213.3 secs Computing kpt #: 79 total cpu time spent up to now is 215.2 secs Computing kpt #: 80 total cpu time spent up to now is 217.0 secs Computing kpt #: 81 total cpu time spent up to now is 219.2 secs Computing kpt #: 82 total cpu time spent up to now is 221.3 secs Computing kpt #: 83 total cpu time spent up to now is 223.2 secs Computing kpt #: 84 total cpu time spent up to now is 224.9 secs Computing kpt #: 85 total cpu time spent up to now is 227.1 secs Computing kpt #: 86 total cpu time spent up to now is 229.4 secs Computing kpt #: 87 total cpu time spent up to now is 231.5 secs Computing kpt #: 88 total cpu time spent up to now is 233.5 secs Computing kpt #: 89 total cpu time spent up to now is 235.3 secs Computing kpt #: 90 total cpu time spent up to now is 237.5 secs Computing kpt #: 91 total cpu time spent up to now is 239.5 secs Computing kpt #: 92 total cpu time spent up to now is 241.3 secs Computing kpt #: 93 total cpu time spent up to now is 243.1 secs Computing kpt #: 94 total cpu time spent up to now is 244.9 secs Computing kpt #: 95 total cpu time spent up to now is 247.3 secs Computing kpt #: 96 total cpu time spent up to now is 249.4 secs Computing kpt #: 97 total cpu time spent up to now is 251.7 secs Computing kpt #: 98 total cpu time spent up to now is 253.7 secs Computing kpt #: 99 total cpu time spent up to now is 255.5 secs Computing kpt #: 100 total cpu time spent up to now is 257.6 secs Computing kpt #: 101 total cpu time spent up to now is 259.7 secs Computing kpt #: 102 total cpu time spent up to now is 261.5 secs Computing kpt #: 103 total cpu time spent up to now is 263.2 secs Computing kpt #: 104 total cpu time spent up to now is 265.2 secs Computing kpt #: 105 total cpu time spent up to now is 267.1 secs Computing kpt #: 106 total cpu time spent up to now is 268.8 secs Computing kpt #: 107 total cpu time spent up to now is 270.6 secs Computing kpt #: 108 total cpu time spent up to now is 272.3 secs Computing kpt #: 109 total cpu time spent up to now is 274.2 secs Computing kpt #: 110 total cpu time spent up to now is 276.0 secs Computing kpt #: 111 total cpu time spent up to now is 278.1 secs Computing kpt #: 112 total cpu time spent up to now is 279.9 secs Computing kpt #: 113 total cpu time spent up to now is 281.6 secs Computing kpt #: 114 total cpu time spent up to now is 283.3 secs Computing kpt #: 115 total cpu time spent up to now is 285.1 secs Computing kpt #: 116 total cpu time spent up to now is 286.9 secs Computing kpt #: 117 total cpu time spent up to now is 288.9 secs Computing kpt #: 118 total cpu time spent up to now is 290.6 secs Computing kpt #: 119 total cpu time spent up to now is 292.4 secs Computing kpt #: 120 total cpu time spent up to now is 294.2 secs Computing kpt #: 121 total cpu time spent up to now is 295.9 secs Computing kpt #: 122 total cpu time spent up to now is 297.8 secs Computing kpt #: 123 total cpu time spent up to now is 299.8 secs Computing kpt #: 124 total cpu time spent up to now is 302.2 secs Computing kpt #: 125 total cpu time spent up to now is 304.1 secs Computing kpt #: 126 total cpu time spent up to now is 305.7 secs Computing kpt #: 127 total cpu time spent up to now is 307.4 secs Computing kpt #: 128 total cpu time spent up to now is 309.0 secs Computing kpt #: 129 total cpu time spent up to now is 310.7 secs Computing kpt #: 130 total cpu time spent up to now is 312.6 secs Computing kpt #: 131 total cpu time spent up to now is 314.2 secs Computing kpt #: 132 total cpu time spent up to now is 315.8 secs Computing kpt #: 133 total cpu time spent up to now is 317.6 secs Computing kpt #: 134 total cpu time spent up to now is 319.2 secs Computing kpt #: 135 total cpu time spent up to now is 320.8 secs Computing kpt #: 136 total cpu time spent up to now is 323.0 secs Computing kpt #: 137 total cpu time spent up to now is 324.8 secs Computing kpt #: 138 total cpu time spent up to now is 326.5 secs Computing kpt #: 139 total cpu time spent up to now is 328.3 secs Computing kpt #: 140 total cpu time spent up to now is 330.1 secs Computing kpt #: 141 total cpu time spent up to now is 332.1 secs Computing kpt #: 142 total cpu time spent up to now is 333.9 secs Computing kpt #: 143 total cpu time spent up to now is 335.8 secs Computing kpt #: 144 total cpu time spent up to now is 337.4 secs Computing kpt #: 145 total cpu time spent up to now is 339.0 secs Computing kpt #: 146 total cpu time spent up to now is 340.6 secs Computing kpt #: 147 total cpu time spent up to now is 342.4 secs Computing kpt #: 148 total cpu time spent up to now is 344.3 secs Computing kpt #: 149 total cpu time spent up to now is 346.2 secs Computing kpt #: 150 total cpu time spent up to now is 348.1 secs Computing kpt #: 151 total cpu time spent up to now is 350.4 secs Computing kpt #: 152 total cpu time spent up to now is 352.2 secs Computing kpt #: 153 total cpu time spent up to now is 354.0 secs Computing kpt #: 154 total cpu time spent up to now is 355.7 secs Computing kpt #: 155 total cpu time spent up to now is 358.1 secs Computing kpt #: 156 total cpu time spent up to now is 360.1 secs Computing kpt #: 157 total cpu time spent up to now is 362.2 secs Computing kpt #: 158 total cpu time spent up to now is 364.2 secs Computing kpt #: 159 total cpu time spent up to now is 366.4 secs Computing kpt #: 160 total cpu time spent up to now is 368.4 secs Computing kpt #: 161 total cpu time spent up to now is 370.1 secs Computing kpt #: 162 total cpu time spent up to now is 371.7 secs Computing kpt #: 163 total cpu time spent up to now is 373.6 secs Computing kpt #: 164 total cpu time spent up to now is 375.7 secs Computing kpt #: 165 total cpu time spent up to now is 377.9 secs Computing kpt #: 166 total cpu time spent up to now is 379.7 secs Computing kpt #: 167 total cpu time spent up to now is 381.5 secs Computing kpt #: 168 total cpu time spent up to now is 384.0 secs Computing kpt #: 169 total cpu time spent up to now is 386.9 secs Computing kpt #: 170 total cpu time spent up to now is 388.8 secs Computing kpt #: 171 total cpu time spent up to now is 390.9 secs Computing kpt #: 172 total cpu time spent up to now is 393.5 secs Computing kpt #: 173 total cpu time spent up to now is 395.9 secs Computing kpt #: 174 total cpu time spent up to now is 399.0 secs Computing kpt #: 175 total cpu time spent up to now is 401.0 secs Computing kpt #: 176 total cpu time spent up to now is 402.9 secs Computing kpt #: 177 total cpu time spent up to now is 404.8 secs Computing kpt #: 178 total cpu time spent up to now is 407.1 secs Computing kpt #: 179 total cpu time spent up to now is 409.0 secs Computing kpt #: 180 total cpu time spent up to now is 410.9 secs Computing kpt #: 181 total cpu time spent up to now is 412.6 secs Computing kpt #: 182 total cpu time spent up to now is 414.2 secs Computing kpt #: 183 total cpu time spent up to now is 415.7 secs Computing kpt #: 184 total cpu time spent up to now is 417.2 secs Computing kpt #: 185 total cpu time spent up to now is 418.7 secs Computing kpt #: 186 total cpu time spent up to now is 420.2 secs Computing kpt #: 187 total cpu time spent up to now is 422.2 secs Computing kpt #: 188 total cpu time spent up to now is 423.8 secs Computing kpt #: 189 total cpu time spent up to now is 425.4 secs Computing kpt #: 190 total cpu time spent up to now is 427.2 secs Computing kpt #: 191 total cpu time spent up to now is 430.3 secs Computing kpt #: 192 total cpu time spent up to now is 432.3 secs Computing kpt #: 193 total cpu time spent up to now is 433.9 secs Computing kpt #: 194 total cpu time spent up to now is 435.4 secs Computing kpt #: 195 total cpu time spent up to now is 437.7 secs Computing kpt #: 196 total cpu time spent up to now is 439.2 secs Computing kpt #: 197 total cpu time spent up to now is 441.0 secs Computing kpt #: 198 total cpu time spent up to now is 442.7 secs Computing kpt #: 199 total cpu time spent up to now is 445.1 secs Computing kpt #: 200 total cpu time spent up to now is 447.6 secs Computing kpt #: 201 total cpu time spent up to now is 449.1 secs Computing kpt #: 202 total cpu time spent up to now is 450.7 secs Computing kpt #: 203 total cpu time spent up to now is 452.4 secs Computing kpt #: 204 total cpu time spent up to now is 454.5 secs Computing kpt #: 205 total cpu time spent up to now is 456.2 secs Computing kpt #: 206 total cpu time spent up to now is 457.7 secs Computing kpt #: 207 total cpu time spent up to now is 459.3 secs Computing kpt #: 208 total cpu time spent up to now is 461.9 secs Computing kpt #: 209 total cpu time spent up to now is 463.6 secs Computing kpt #: 210 total cpu time spent up to now is 465.3 secs Computing kpt #: 211 total cpu time spent up to now is 467.3 secs Computing kpt #: 212 total cpu time spent up to now is 469.3 secs Computing kpt #: 213 total cpu time spent up to now is 471.2 secs Computing kpt #: 214 total cpu time spent up to now is 472.9 secs Computing kpt #: 215 total cpu time spent up to now is 474.6 secs Computing kpt #: 216 total cpu time spent up to now is 476.5 secs Computing kpt #: 217 total cpu time spent up to now is 478.5 secs Computing kpt #: 218 total cpu time spent up to now is 480.3 secs Computing kpt #: 219 total cpu time spent up to now is 482.2 secs Computing kpt #: 220 total cpu time spent up to now is 483.9 secs Computing kpt #: 221 total cpu time spent up to now is 485.8 secs Computing kpt #: 222 total cpu time spent up to now is 487.7 secs Computing kpt #: 223 total cpu time spent up to now is 489.8 secs Computing kpt #: 224 total cpu time spent up to now is 491.6 secs Computing kpt #: 225 total cpu time spent up to now is 493.4 secs Computing kpt #: 226 total cpu time spent up to now is 495.3 secs Computing kpt #: 227 total cpu time spent up to now is 497.4 secs Computing kpt #: 228 total cpu time spent up to now is 499.4 secs Computing kpt #: 229 total cpu time spent up to now is 501.2 secs Computing kpt #: 230 total cpu time spent up to now is 502.9 secs Computing kpt #: 231 total cpu time spent up to now is 504.5 secs Computing kpt #: 232 total cpu time spent up to now is 506.1 secs Computing kpt #: 233 total cpu time spent up to now is 508.0 secs Computing kpt #: 234 total cpu time spent up to now is 510.0 secs Computing kpt #: 235 total cpu time spent up to now is 512.3 secs Computing kpt #: 236 total cpu time spent up to now is 514.8 secs Computing kpt #: 237 total cpu time spent up to now is 518.4 secs Computing kpt #: 238 total cpu time spent up to now is 520.9 secs Computing kpt #: 239 total cpu time spent up to now is 522.8 secs Computing kpt #: 240 total cpu time spent up to now is 524.5 secs Computing kpt #: 241 total cpu time spent up to now is 526.0 secs Computing kpt #: 242 total cpu time spent up to now is 527.7 secs Computing kpt #: 243 total cpu time spent up to now is 529.5 secs Computing kpt #: 244 total cpu time spent up to now is 531.2 secs Computing kpt #: 245 total cpu time spent up to now is 532.9 secs Computing kpt #: 246 total cpu time spent up to now is 534.4 secs Computing kpt #: 247 total cpu time spent up to now is 536.0 secs Computing kpt #: 248 total cpu time spent up to now is 537.7 secs Computing kpt #: 249 total cpu time spent up to now is 540.2 secs Computing kpt #: 250 total cpu time spent up to now is 542.6 secs Computing kpt #: 251 total cpu time spent up to now is 544.5 secs Computing kpt #: 252 total cpu time spent up to now is 546.1 secs Computing kpt #: 253 total cpu time spent up to now is 547.8 secs Computing kpt #: 254 total cpu time spent up to now is 549.9 secs Computing kpt #: 255 total cpu time spent up to now is 551.9 secs Computing kpt #: 256 total cpu time spent up to now is 553.7 secs Computing kpt #: 257 total cpu time spent up to now is 555.5 secs Computing kpt #: 258 total cpu time spent up to now is 557.3 secs Computing kpt #: 259 total cpu time spent up to now is 559.4 secs Computing kpt #: 260 total cpu time spent up to now is 562.1 secs Computing kpt #: 261 total cpu time spent up to now is 564.5 secs Computing kpt #: 262 total cpu time spent up to now is 566.5 secs Computing kpt #: 263 total cpu time spent up to now is 568.5 secs Computing kpt #: 264 total cpu time spent up to now is 570.7 secs Computing kpt #: 265 total cpu time spent up to now is 572.8 secs Computing kpt #: 266 total cpu time spent up to now is 574.9 secs Computing kpt #: 267 total cpu time spent up to now is 576.9 secs Computing kpt #: 268 total cpu time spent up to now is 579.3 secs Computing kpt #: 269 total cpu time spent up to now is 581.4 secs Computing kpt #: 270 total cpu time spent up to now is 583.1 secs Computing kpt #: 271 total cpu time spent up to now is 584.8 secs Computing kpt #: 272 total cpu time spent up to now is 586.9 secs Computing kpt #: 273 total cpu time spent up to now is 588.6 secs Computing kpt #: 274 total cpu time spent up to now is 590.3 secs Computing kpt #: 275 total cpu time spent up to now is 592.3 secs Computing kpt #: 276 total cpu time spent up to now is 594.0 secs Computing kpt #: 277 total cpu time spent up to now is 595.8 secs Computing kpt #: 278 total cpu time spent up to now is 597.8 secs Computing kpt #: 279 total cpu time spent up to now is 599.4 secs Computing kpt #: 280 total cpu time spent up to now is 601.1 secs Computing kpt #: 281 total cpu time spent up to now is 603.3 secs Computing kpt #: 282 total cpu time spent up to now is 605.4 secs Computing kpt #: 283 total cpu time spent up to now is 607.2 secs Computing kpt #: 284 total cpu time spent up to now is 609.6 secs Computing kpt #: 285 total cpu time spent up to now is 611.1 secs Computing kpt #: 286 total cpu time spent up to now is 612.6 secs Computing kpt #: 287 total cpu time spent up to now is 614.1 secs Computing kpt #: 288 total cpu time spent up to now is 616.2 secs Computing kpt #: 289 total cpu time spent up to now is 617.8 secs Computing kpt #: 290 total cpu time spent up to now is 619.7 secs Computing kpt #: 291 total cpu time spent up to now is 621.5 secs Computing kpt #: 292 total cpu time spent up to now is 623.5 secs Computing kpt #: 293 total cpu time spent up to now is 625.3 secs Computing kpt #: 294 total cpu time spent up to now is 627.2 secs Computing kpt #: 295 total cpu time spent up to now is 629.0 secs Computing kpt #: 296 total cpu time spent up to now is 630.7 secs Computing kpt #: 297 total cpu time spent up to now is 632.5 secs Computing kpt #: 298 total cpu time spent up to now is 634.2 secs Computing kpt #: 299 total cpu time spent up to now is 636.0 secs Computing kpt #: 300 total cpu time spent up to now is 638.9 secs Computing kpt #: 301 total cpu time spent up to now is 640.9 secs Computing kpt #: 302 total cpu time spent up to now is 642.8 secs Computing kpt #: 303 total cpu time spent up to now is 644.9 secs Computing kpt #: 304 total cpu time spent up to now is 646.7 secs Computing kpt #: 305 total cpu time spent up to now is 648.4 secs Computing kpt #: 306 total cpu time spent up to now is 650.2 secs Computing kpt #: 307 total cpu time spent up to now is 651.9 secs Computing kpt #: 308 total cpu time spent up to now is 653.6 secs Computing kpt #: 309 total cpu time spent up to now is 656.4 secs Computing kpt #: 310 total cpu time spent up to now is 658.3 secs Computing kpt #: 311 total cpu time spent up to now is 660.0 secs Computing kpt #: 312 total cpu time spent up to now is 661.7 secs Computing kpt #: 313 total cpu time spent up to now is 663.6 secs Computing kpt #: 314 total cpu time spent up to now is 665.5 secs Computing kpt #: 315 total cpu time spent up to now is 667.4 secs Computing kpt #: 316 total cpu time spent up to now is 669.3 secs Computing kpt #: 317 total cpu time spent up to now is 671.0 secs Computing kpt #: 318 total cpu time spent up to now is 672.7 secs Computing kpt #: 319 total cpu time spent up to now is 674.6 secs Computing kpt #: 320 total cpu time spent up to now is 676.5 secs Computing kpt #: 321 total cpu time spent up to now is 679.4 secs Computing kpt #: 322 total cpu time spent up to now is 681.2 secs Computing kpt #: 323 total cpu time spent up to now is 683.0 secs Computing kpt #: 324 total cpu time spent up to now is 684.6 secs Computing kpt #: 325 total cpu time spent up to now is 686.3 secs Computing kpt #: 326 total cpu time spent up to now is 688.0 secs Computing kpt #: 327 total cpu time spent up to now is 690.4 secs Computing kpt #: 328 total cpu time spent up to now is 692.3 secs Computing kpt #: 329 total cpu time spent up to now is 694.2 secs Computing kpt #: 330 total cpu time spent up to now is 696.1 secs Computing kpt #: 331 total cpu time spent up to now is 698.4 secs Computing kpt #: 332 total cpu time spent up to now is 700.5 secs Computing kpt #: 333 total cpu time spent up to now is 702.4 secs Computing kpt #: 334 total cpu time spent up to now is 704.7 secs Computing kpt #: 335 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 708.6 secs Computing kpt #: 336 total cpu time spent up to now is 711.2 secs Computing kpt #: 337 total cpu time spent up to now is 713.3 secs Computing kpt #: 338 total cpu time spent up to now is 714.7 secs Computing kpt #: 339 total cpu time spent up to now is 716.1 secs Computing kpt #: 340 total cpu time spent up to now is 717.5 secs Computing kpt #: 341 total cpu time spent up to now is 718.9 secs Computing kpt #: 342 total cpu time spent up to now is 720.7 secs Computing kpt #: 343 total cpu time spent up to now is 722.7 secs Computing kpt #: 344 total cpu time spent up to now is 724.1 secs Computing kpt #: 345 total cpu time spent up to now is 725.6 secs Computing kpt #: 346 total cpu time spent up to now is 727.1 secs Computing kpt #: 347 total cpu time spent up to now is 728.8 secs Computing kpt #: 348 total cpu time spent up to now is 730.8 secs Computing kpt #: 349 total cpu time spent up to now is 732.3 secs Computing kpt #: 350 total cpu time spent up to now is 733.8 secs Computing kpt #: 351 total cpu time spent up to now is 735.6 secs Computing kpt #: 352 total cpu time spent up to now is 737.5 secs Computing kpt #: 353 total cpu time spent up to now is 739.3 secs Computing kpt #: 354 total cpu time spent up to now is 741.1 secs Computing kpt #: 355 total cpu time spent up to now is 742.9 secs Computing kpt #: 356 total cpu time spent up to now is 744.7 secs Computing kpt #: 357 total cpu time spent up to now is 746.5 secs Computing kpt #: 358 total cpu time spent up to now is 748.3 secs Computing kpt #: 359 total cpu time spent up to now is 750.4 secs Computing kpt #: 360 total cpu time spent up to now is 752.6 secs Computing kpt #: 361 total cpu time spent up to now is 754.9 secs Computing kpt #: 362 total cpu time spent up to now is 756.8 secs Computing kpt #: 363 total cpu time spent up to now is 758.6 secs Computing kpt #: 364 total cpu time spent up to now is 760.3 secs Computing kpt #: 365 total cpu time spent up to now is 762.2 secs Computing kpt #: 366 total cpu time spent up to now is 764.1 secs Computing kpt #: 367 total cpu time spent up to now is 765.9 secs Computing kpt #: 368 total cpu time spent up to now is 767.7 secs Computing kpt #: 369 total cpu time spent up to now is 769.6 secs Computing kpt #: 370 total cpu time spent up to now is 771.5 secs Computing kpt #: 371 total cpu time spent up to now is 773.3 secs Computing kpt #: 372 total cpu time spent up to now is 775.2 secs Computing kpt #: 373 total cpu time spent up to now is 777.2 secs Computing kpt #: 374 total cpu time spent up to now is 779.1 secs Computing kpt #: 375 total cpu time spent up to now is 780.9 secs Computing kpt #: 376 total cpu time spent up to now is 783.0 secs Computing kpt #: 377 total cpu time spent up to now is 784.9 secs Computing kpt #: 378 total cpu time spent up to now is 786.8 secs Computing kpt #: 379 total cpu time spent up to now is 788.5 secs Computing kpt #: 380 total cpu time spent up to now is 790.2 secs Computing kpt #: 381 total cpu time spent up to now is 792.1 secs Computing kpt #: 382 total cpu time spent up to now is 794.1 secs Computing kpt #: 383 total cpu time spent up to now is 795.9 secs Computing kpt #: 384 total cpu time spent up to now is 797.6 secs Computing kpt #: 385 total cpu time spent up to now is 799.5 secs Computing kpt #: 386 total cpu time spent up to now is 801.4 secs Computing kpt #: 387 total cpu time spent up to now is 803.3 secs Computing kpt #: 388 total cpu time spent up to now is 805.0 secs Computing kpt #: 389 total cpu time spent up to now is 806.7 secs Computing kpt #: 390 total cpu time spent up to now is 808.4 secs Computing kpt #: 391 total cpu time spent up to now is 810.2 secs Computing kpt #: 392 total cpu time spent up to now is 811.9 secs Computing kpt #: 393 total cpu time spent up to now is 813.6 secs Computing kpt #: 394 total cpu time spent up to now is 815.3 secs Computing kpt #: 395 total cpu time spent up to now is 817.0 secs Computing kpt #: 396 total cpu time spent up to now is 818.9 secs Computing kpt #: 397 total cpu time spent up to now is 820.7 secs Computing kpt #: 398 total cpu time spent up to now is 822.3 secs Computing kpt #: 399 total cpu time spent up to now is 824.6 secs Computing kpt #: 400 total cpu time spent up to now is 826.0 secs Computing kpt #: 401 total cpu time spent up to now is 827.4 secs Computing kpt #: 402 total cpu time spent up to now is 829.2 secs Computing kpt #: 403 total cpu time spent up to now is 830.6 secs Computing kpt #: 404 total cpu time spent up to now is 832.0 secs Computing kpt #: 405 total cpu time spent up to now is 833.4 secs Computing kpt #: 406 total cpu time spent up to now is 835.1 secs Computing kpt #: 407 total cpu time spent up to now is 836.6 secs Computing kpt #: 408 total cpu time spent up to now is 838.1 secs ethr = 2.78E-11, avg # of iterations = 37.5 total cpu time spent up to now is 838.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4151 PWs) bands (ev): -46.6318 -46.6318 -46.6147 -46.6147 -23.3801 -23.3801 -23.3382 -23.3382 -22.7380 -22.7380 -22.7214 -22.7214 -22.7197 -22.7197 -22.6236 -22.6236 0.1806 0.1806 4.1362 4.1362 4.2860 4.2860 7.8277 7.8277 8.2028 8.2028 8.4241 8.4241 8.4405 8.4405 9.3478 9.3478 9.4449 9.4449 9.5360 9.5360 10.5547 10.5547 10.8132 10.8132 10.9590 10.9590 11.0319 11.0319 k = 0.0063 0.0192-0.0000 ( 4151 PWs) bands (ev): -46.6318 -46.6318 -46.6147 -46.6147 -23.3801 -23.3801 -23.3382 -23.3382 -22.7380 -22.7380 -22.7220 -22.7220 -22.7191 -22.7191 -22.6236 -22.6236 0.1822 0.1822 4.1374 4.1374 4.2875 4.2875 7.8211 7.8211 8.2036 8.2036 8.4161 8.4161 8.4333 8.4333 9.3461 9.3461 9.4576 9.4576 9.5377 9.5377 10.5442 10.5442 10.8226 10.8226 10.9618 10.9618 11.0282 11.0282 k = 0.0126 0.0384-0.0000 ( 4159 PWs) bands (ev): -46.6318 -46.6318 -46.6148 -46.6148 -23.3801 -23.3801 -23.3383 -23.3383 -22.7380 -22.7380 -22.7230 -22.7230 -22.7181 -22.7181 -22.6237 -22.6237 0.1868 0.1868 4.1410 4.1410 4.2919 4.2919 7.8005 7.8005 8.2061 8.2061 8.3948 8.3948 8.4120 8.4120 9.3409 9.3409 9.4938 9.4938 9.5429 9.5429 10.5162 10.5162 10.8469 10.8469 10.9703 10.9703 11.0175 11.0175 k = 0.0189 0.0577-0.0000 ( 4159 PWs) bands (ev): -46.6318 -46.6318 -46.6148 -46.6148 -23.3800 -23.3800 -23.3384 -23.3384 -22.7381 -22.7381 -22.7241 -22.7241 -22.7170 -22.7170 -22.6238 -22.6238 0.1946 0.1946 4.1469 4.1469 4.2994 4.2994 7.7644 7.7644 8.2103 8.2103 8.3664 8.3664 8.3771 8.3771 9.3324 9.3324 9.5464 9.5464 9.5533 9.5533 10.4773 10.4773 10.8798 10.8798 10.9832 10.9832 11.0020 11.0020 k = 0.0252 0.0769-0.0000 ( 4153 PWs) bands (ev): -46.6317 -46.6317 -46.6148 -46.6148 -23.3799 -23.3799 -23.3386 -23.3386 -22.7381 -22.7381 -22.7252 -22.7252 -22.7158 -22.7158 -22.6240 -22.6240 0.2054 0.2054 4.1552 4.1552 4.3098 4.3098 7.7111 7.7111 8.2162 8.2162 8.3291 8.3291 8.3384 8.3384 9.3208 9.3208 9.5604 9.5604 9.6181 9.6181 10.4321 10.4321 10.9162 10.9162 10.9775 10.9775 11.0063 11.0063 k = 0.0315 0.0961-0.0000 ( 4143 PWs) bands (ev): -46.6317 -46.6317 -46.6149 -46.6149 -23.3798 -23.3798 -23.3388 -23.3388 -22.7382 -22.7382 -22.7263 -22.7263 -22.7146 -22.7146 -22.6243 -22.6243 0.2194 0.2194 4.1659 4.1659 4.3231 4.3231 7.6401 7.6401 8.2237 8.2237 8.2700 8.2700 8.3152 8.3152 9.3064 9.3064 9.5721 9.5721 9.6955 9.6955 10.3833 10.3833 10.9472 10.9472 10.9611 10.9611 11.0303 11.0303 k = 0.0377 0.1153-0.0000 ( 4149 PWs) bands (ev): -46.6316 -46.6316 -46.6149 -46.6149 -23.3798 -23.3798 -23.3390 -23.3390 -22.7383 -22.7383 -22.7274 -22.7274 -22.7134 -22.7134 -22.6246 -22.6246 0.2364 0.2364 4.1790 4.1790 4.3394 4.3394 7.5527 7.5527 8.2002 8.2002 8.2328 8.2328 8.2999 8.2999 9.2894 9.2894 9.5844 9.5844 9.7783 9.7783 10.3324 10.3324 10.9268 10.9268 10.9938 10.9938 11.0598 11.0598 k = 0.0440 0.1345-0.0000 ( 4149 PWs) bands (ev): -46.6315 -46.6315 -46.6150 -46.6150 -23.3797 -23.3797 -23.3393 -23.3393 -22.7384 -22.7384 -22.7285 -22.7285 -22.7123 -22.7123 -22.6249 -22.6249 0.2565 0.2565 4.1944 4.1944 4.3587 4.3587 7.4514 7.4514 8.1210 8.1210 8.2434 8.2434 8.2925 8.2925 9.2703 9.2703 9.5966 9.5966 9.8638 9.8638 10.2801 10.2801 10.9013 10.9013 11.0305 11.0305 11.0938 11.0938 k = 0.0503 0.1537-0.0000 ( 4149 PWs) bands (ev): -46.6314 -46.6314 -46.6150 -46.6150 -23.3796 -23.3796 -23.3396 -23.3396 -22.7386 -22.7386 -22.7295 -22.7295 -22.7111 -22.7111 -22.6253 -22.6253 0.2797 0.2797 4.2121 4.2121 4.3808 4.3808 7.3390 7.3390 8.0334 8.0334 8.2557 8.2557 8.2923 8.2923 9.2493 9.2493 9.6082 9.6082 9.9502 9.9502 10.2271 10.2271 10.8765 10.8765 11.0659 11.0659 11.1320 11.1320 k = 0.0566 0.1730-0.0000 ( 4145 PWs) bands (ev): -46.6313 -46.6313 -46.6151 -46.6151 -23.3794 -23.3794 -23.3400 -23.3400 -22.7387 -22.7387 -22.7306 -22.7306 -22.7099 -22.7099 -22.6257 -22.6257 0.3059 0.3059 4.2322 4.2322 4.4058 4.4058 7.2181 7.2181 7.9384 7.9384 8.2694 8.2694 8.2979 8.2979 9.2269 9.2269 9.6186 9.6186 10.0363 10.0363 10.1739 10.1739 10.8535 10.8535 11.0996 11.0996 11.1741 11.1741 k = 0.0629 0.1922-0.0000 ( 4145 PWs) bands (ev): -46.6311 -46.6311 -46.6152 -46.6152 -23.3793 -23.3793 -23.3404 -23.3404 -22.7390 -22.7390 -22.7316 -22.7316 -22.7087 -22.7087 -22.6262 -22.6262 0.3352 0.3352 4.2545 4.2545 4.4336 4.4336 7.0909 7.0909 7.8370 7.8370 8.2845 8.2845 8.3084 8.3084 9.2033 9.2033 9.6273 9.6273 10.1149 10.1149 10.1269 10.1269 10.8332 10.8332 11.1313 11.1313 11.2196 11.2196 k = 0.0692 0.2114-0.0000 ( 4133 PWs) bands (ev): -46.6310 -46.6310 -46.6153 -46.6153 -23.3791 -23.3791 -23.3408 -23.3408 -22.7391 -22.7391 -22.7326 -22.7326 -22.7075 -22.7075 -22.6267 -22.6267 0.3676 0.3676 4.2792 4.2792 4.4642 4.4642 6.9590 6.9590 7.7299 7.7299 8.3011 8.3011 8.3227 8.3227 9.1790 9.1790 9.6338 9.6338 10.0666 10.0666 10.2054 10.2054 10.8163 10.8163 11.1607 11.1607 11.2684 11.2684 k = 0.0755 0.2306-0.0000 ( 4143 PWs) bands (ev): -46.6308 -46.6308 -46.6154 -46.6154 -23.3790 -23.3790 -23.3413 -23.3413 -22.7394 -22.7394 -22.7336 -22.7336 -22.7063 -22.7063 -22.6273 -22.6273 0.4030 0.4030 4.3060 4.3060 4.4976 4.4976 6.8237 6.8237 7.6180 7.6180 8.3188 8.3188 8.3403 8.3403 9.1542 9.1542 9.6379 9.6379 10.0138 10.0138 10.2868 10.2868 10.8034 10.8034 11.1877 11.1877 11.3201 11.3201 k = 0.0818 0.2498-0.0000 ( 4147 PWs) bands (ev): -46.6306 -46.6306 -46.6156 -46.6156 -23.3788 -23.3788 -23.3418 -23.3418 -22.7397 -22.7397 -22.7345 -22.7345 -22.7051 -22.7051 -22.6279 -22.6279 0.4414 0.4414 4.3350 4.3350 4.5336 4.5336 6.6861 6.6861 7.5020 7.5020 8.3378 8.3378 8.3606 8.3606 9.1293 9.1293 9.6393 9.6393 9.9615 9.9615 10.3660 10.3660 10.7949 10.7949 11.2123 11.2123 11.3745 11.3745 k = 0.0881 0.2690-0.0000 ( 4147 PWs) bands (ev): -46.6305 -46.6305 -46.6157 -46.6157 -23.3786 -23.3786 -23.3424 -23.3424 -22.7400 -22.7400 -22.7355 -22.7355 -22.7039 -22.7039 -22.6286 -22.6286 0.4827 0.4827 4.3661 4.3661 4.5723 4.5723 6.5469 6.5469 7.3825 7.3825 8.3578 8.3578 8.3831 8.3831 9.1046 9.1046 9.6378 9.6378 9.9098 9.9098 10.4430 10.4430 10.7912 10.7912 11.2344 11.2344 11.4312 11.4312 k = 0.0944 0.2883-0.0000 ( 4153 PWs) bands (ev): -46.6303 -46.6303 -46.6158 -46.6158 -23.3784 -23.3784 -23.3430 -23.3430 -22.7404 -22.7404 -22.7364 -22.7364 -22.7027 -22.7027 -22.6293 -22.6293 0.5271 0.5271 4.3993 4.3993 4.6135 4.6135 6.4068 6.4068 7.2602 7.2602 8.3787 8.3787 8.4073 8.4073 9.0804 9.0804 9.6333 9.6333 9.8590 9.8590 10.5177 10.5177 10.7924 10.7924 11.2541 11.2541 11.4902 11.4902 k = 0.1007 0.3075-0.0000 ( 4149 PWs) bands (ev): -46.6301 -46.6301 -46.6160 -46.6160 -23.3782 -23.3782 -23.3436 -23.3436 -22.7407 -22.7407 -22.7372 -22.7372 -22.7014 -22.7014 -22.6301 -22.6301 0.5745 0.5745 4.4344 4.4344 4.6571 4.6571 6.2664 6.2664 7.1356 7.1356 8.4002 8.4002 8.4331 8.4331 9.0570 9.0570 9.6259 9.6259 9.8091 9.8091 10.5899 10.5899 10.7986 10.7986 11.2713 11.2713 11.5511 11.5511 k = 0.1069 0.3267-0.0000 ( 4145 PWs) bands (ev): -46.6299 -46.6299 -46.6161 -46.6161 -23.3779 -23.3779 -23.3443 -23.3443 -22.7411 -22.7411 -22.7380 -22.7380 -22.7002 -22.7002 -22.6308 -22.6308 0.6247 0.6247 4.4713 4.4713 4.7031 4.7031 6.1263 6.1263 7.0094 7.0094 8.4221 8.4221 8.4599 8.4599 9.0349 9.0349 9.6157 9.6157 9.7603 9.7603 10.6598 10.6598 10.8098 10.8098 11.2861 11.2861 11.5926 11.5926 k = 0.1132 0.3459-0.0000 ( 4141 PWs) bands (ev): -46.6296 -46.6296 -46.6163 -46.6163 -23.3776 -23.3776 -23.3449 -23.3449 -22.7415 -22.7415 -22.7387 -22.7387 -22.6989 -22.6989 -22.6316 -22.6316 0.6780 0.6780 4.5097 4.5097 4.7512 4.7512 5.9869 5.9869 6.8820 6.8820 8.4441 8.4441 8.4874 8.4874 9.0144 9.0144 9.6029 9.6029 9.7125 9.7125 10.7273 10.7273 10.8258 10.8258 11.2984 11.2984 11.5371 11.5371 k = 0.1195 0.3651-0.0000 ( 4137 PWs) bands (ev): -46.6294 -46.6294 -46.6165 -46.6165 -23.3774 -23.3774 -23.3455 -23.3455 -22.7420 -22.7420 -22.7394 -22.7394 -22.6977 -22.6977 -22.6324 -22.6324 0.7341 0.7341 4.5493 4.5493 4.8013 4.8013 5.8490 5.8490 6.7541 6.7541 8.4658 8.4658 8.5153 8.5153 8.9960 8.9960 9.5877 9.5877 9.6661 9.6661 10.7923 10.7923 10.8466 10.8466 11.3084 11.3084 11.4854 11.4854 k = 0.1258 0.3843-0.0000 ( 4129 PWs) bands (ev): -46.6291 -46.6291 -46.6167 -46.6167 -23.3771 -23.3771 -23.3462 -23.3462 -22.7424 -22.7424 -22.7400 -22.7400 -22.6964 -22.6964 -22.6333 -22.6333 0.7931 0.7931 4.5896 4.5896 4.8530 4.8530 5.7132 5.7132 6.6262 6.6262 8.4866 8.4866 8.5433 8.5433 8.9802 8.9802 9.5704 9.5704 9.6209 9.6209 10.8530 10.8530 10.8733 10.8733 11.3161 11.3161 11.4376 11.4376 k = 0.1321 0.4036-0.0000 ( 4125 PWs) bands (ev): -46.6289 -46.6289 -46.6169 -46.6169 -23.3767 -23.3767 -23.3469 -23.3469 -22.7429 -22.7429 -22.7406 -22.7406 -22.6951 -22.6951 -22.6342 -22.6342 0.8549 0.8549 4.6296 4.6296 4.9059 4.9059 5.5808 5.5808 6.4991 6.4991 8.5059 8.5059 8.5710 8.5710 8.9678 8.9678 9.5513 9.5513 9.5772 9.5772 10.8954 10.8954 10.9199 10.9199 11.3216 11.3216 11.3941 11.3941 k = 0.1384 0.4228-0.0000 ( 4121 PWs) bands (ev): -46.6286 -46.6286 -46.6171 -46.6171 -23.3764 -23.3764 -23.3477 -23.3477 -22.7435 -22.7435 -22.7411 -22.7411 -22.6939 -22.6939 -22.6352 -22.6352 0.9196 0.9196 4.6674 4.6674 4.9594 4.9594 5.4537 5.4537 6.3736 6.3736 8.5231 8.5231 8.5980 8.5980 8.9594 8.9594 9.5300 9.5300 9.5357 9.5357 10.9283 10.9283 10.9769 10.9769 11.3246 11.3246 11.3554 11.3554 k = 0.1447 0.4420-0.0000 ( 4117 PWs) bands (ev): -46.6283 -46.6283 -46.6173 -46.6173 -23.3760 -23.3760 -23.3484 -23.3484 -22.7440 -22.7440 -22.7415 -22.7415 -22.6926 -22.6926 -22.6361 -22.6361 0.9870 0.9870 4.6998 4.6998 5.0126 5.0126 5.3355 5.3355 6.2508 6.2508 8.5374 8.5374 8.6238 8.6238 8.9557 8.9557 9.4935 9.4935 9.5097 9.5097 10.9632 10.9632 11.0323 11.0323 11.3181 11.3181 11.3289 11.3289 k = 0.1510 0.4612-0.0000 ( 4113 PWs) bands (ev): -46.6281 -46.6281 -46.6175 -46.6175 -23.3756 -23.3756 -23.3492 -23.3492 -22.7446 -22.7446 -22.7419 -22.7419 -22.6913 -22.6913 -22.6371 -22.6371 1.0572 1.0572 4.7196 4.7196 5.0639 5.0639 5.2334 5.2334 6.1325 6.1325 8.5482 8.5482 8.6482 8.6482 8.9574 8.9574 9.4544 9.4544 9.4870 9.4870 11.0004 11.0004 11.0852 11.0852 11.2908 11.2908 11.3265 11.3265 k = 0.1573 0.4804-0.0000 ( 4113 PWs) bands (ev): -46.6278 -46.6278 -46.6177 -46.6177 -23.3752 -23.3752 -23.3500 -23.3500 -22.7451 -22.7451 -22.7423 -22.7423 -22.6900 -22.6900 -22.6382 -22.6382 1.1302 1.1302 4.7141 4.7141 5.1106 5.1106 5.1604 5.1604 6.0214 6.0214 8.5551 8.5551 8.6708 8.6708 8.9647 8.9647 9.4168 9.4168 9.4638 9.4638 11.0397 11.0397 11.1347 11.1347 11.2678 11.2678 11.3238 11.3238 k = 0.1636 0.4996-0.0000 ( 4105 PWs) bands (ev): -46.6275 -46.6275 -46.6180 -46.6180 -23.3747 -23.3747 -23.3508 -23.3508 -22.7456 -22.7456 -22.7426 -22.7426 -22.6887 -22.6887 -22.6392 -22.6392 1.2058 1.2058 4.6705 4.6705 5.1279 5.1279 5.1496 5.1496 5.9221 5.9221 8.5580 8.5580 8.6911 8.6911 8.9777 8.9777 9.3807 9.3807 9.4401 9.4401 11.0805 11.0805 11.1790 11.1790 11.2526 11.2526 11.3195 11.3195 k = 0.1698 0.5189-0.0000 ( 4105 PWs) bands (ev): -46.6272 -46.6272 -46.6182 -46.6182 -23.3743 -23.3743 -23.3516 -23.3516 -22.7461 -22.7461 -22.7430 -22.7430 -22.6874 -22.6874 -22.6403 -22.6403 1.2840 1.2840 4.5913 4.5913 5.1361 5.1361 5.1714 5.1714 5.8419 5.8419 8.5572 8.5572 8.7088 8.7088 8.9960 8.9960 9.3464 9.3464 9.4163 9.4163 11.1226 11.1226 11.2086 11.2086 11.2546 11.2546 11.3135 11.3135 k = 0.1761 0.5381-0.0000 ( 4105 PWs) bands (ev): -46.6269 -46.6269 -46.6184 -46.6184 -23.3738 -23.3738 -23.3524 -23.3524 -22.7466 -22.7466 -22.7433 -22.7433 -22.6862 -22.6862 -22.6415 -22.6415 1.3647 1.3647 4.4906 4.4906 5.1634 5.1634 5.1739 5.1739 5.7905 5.7905 8.5533 8.5533 8.7235 8.7235 9.0190 9.0190 9.3138 9.3138 9.3923 9.3923 11.1650 11.1650 11.2149 11.2149 11.2827 11.2827 11.3060 11.3060 k = 0.1824 0.5573-0.0000 ( 4105 PWs) bands (ev): -46.6266 -46.6266 -46.6187 -46.6187 -23.3733 -23.3733 -23.3532 -23.3532 -22.7470 -22.7470 -22.7436 -22.7436 -22.6849 -22.6849 -22.6426 -22.6426 1.4480 1.4480 4.3794 4.3794 5.1307 5.1307 5.2185 5.2185 5.7745 5.7745 8.5470 8.5470 8.7351 8.7351 9.0460 9.0460 9.2830 9.2830 9.3684 9.3684 11.2028 11.2028 11.2219 11.2219 11.2963 11.2963 11.3181 11.3181 k = 0.1887 0.5765-0.0000 ( 4113 PWs) bands (ev): -46.6263 -46.6263 -46.6190 -46.6190 -23.3728 -23.3728 -23.3540 -23.3540 -22.7474 -22.7474 -22.7439 -22.7439 -22.6836 -22.6836 -22.6438 -22.6438 1.5336 1.5336 4.2638 4.2638 5.0649 5.0649 5.2748 5.2748 5.7917 5.7917 8.5387 8.5387 8.7432 8.7432 9.0762 9.0762 9.2540 9.2540 9.3447 9.3447 11.2163 11.2163 11.2564 11.2564 11.2862 11.2862 11.3509 11.3509 k = 0.1950 0.5957-0.0000 ( 4113 PWs) bands (ev): -46.6260 -46.6260 -46.6192 -46.6192 -23.3723 -23.3723 -23.3548 -23.3548 -22.7478 -22.7478 -22.7441 -22.7441 -22.6823 -22.6823 -22.6450 -22.6450 1.6215 1.6215 4.1467 4.1467 4.9779 4.9779 5.3371 5.3371 5.8332 5.8332 8.5292 8.5292 8.7478 8.7478 9.1090 9.1090 9.2267 9.2267 9.3213 9.3213 11.2267 11.2267 11.2731 11.2731 11.3000 11.3000 11.3803 11.3803 k = 0.2013 0.6149-0.0000 ( 4123 PWs) bands (ev): -46.6257 -46.6257 -46.6195 -46.6195 -23.3718 -23.3718 -23.3557 -23.3557 -22.7482 -22.7482 -22.7443 -22.7443 -22.6811 -22.6811 -22.6462 -22.6462 1.7116 1.7116 4.0298 4.0298 4.8783 4.8783 5.4036 5.4036 5.8905 5.8905 8.5187 8.5187 8.7487 8.7487 9.1437 9.1437 9.2014 9.2014 9.2982 9.2982 11.2409 11.2409 11.2603 11.2603 11.3419 11.3419 11.4056 11.4056 k = 0.2076 0.6342-0.0000 ( 4123 PWs) bands (ev): -46.6254 -46.6254 -46.6198 -46.6198 -23.3712 -23.3712 -23.3565 -23.3565 -22.7485 -22.7485 -22.7445 -22.7445 -22.6798 -22.6798 -22.6474 -22.6474 1.8037 1.8037 3.9139 3.9139 4.7717 4.7717 5.4735 5.4735 5.9582 5.9582 8.5077 8.5077 8.7459 8.7459 9.1748 9.1748 9.1831 9.1831 9.2757 9.2757 11.2454 11.2454 11.2596 11.2596 11.3828 11.3828 11.4269 11.4269 k = 0.2139 0.6534-0.0000 ( 4125 PWs) bands (ev): -46.6251 -46.6251 -46.6201 -46.6201 -23.3706 -23.3706 -23.3573 -23.3573 -22.7488 -22.7488 -22.7446 -22.7446 -22.6785 -22.6785 -22.6486 -22.6486 1.8975 1.8975 3.8000 3.8000 4.6615 4.6615 5.5463 5.5463 6.0328 6.0328 8.4964 8.4964 8.7394 8.7394 9.1556 9.1556 9.2180 9.2180 9.2536 9.2536 11.2301 11.2301 11.2801 11.2801 11.4218 11.4218 11.4446 11.4446 k = 0.2202 0.6726-0.0000 ( 4129 PWs) bands (ev): -46.6248 -46.6248 -46.6204 -46.6204 -23.3700 -23.3700 -23.3580 -23.3580 -22.7490 -22.7490 -22.7447 -22.7447 -22.6773 -22.6773 -22.6499 -22.6499 1.9926 1.9926 3.6887 3.6887 4.5495 4.5495 5.6217 5.6217 6.1123 6.1123 8.4850 8.4850 8.7295 8.7295 9.1358 9.1358 9.2320 9.2320 9.2561 9.2561 11.2135 11.2135 11.3008 11.3008 11.4577 11.4577 11.4608 11.4608 k = 0.2265 0.6918-0.0000 ( 4131 PWs) bands (ev): -46.6244 -46.6244 -46.6207 -46.6207 -23.3693 -23.3693 -23.3588 -23.3588 -22.7492 -22.7492 -22.7448 -22.7448 -22.6761 -22.6761 -22.6512 -22.6512 2.0886 2.0886 3.5806 3.5806 4.4370 4.4370 5.6994 5.6994 6.1956 6.1956 8.4735 8.4735 8.7162 8.7162 9.1179 9.1179 9.2110 9.2110 9.2949 9.2949 11.1961 11.1961 11.3175 11.3175 11.4779 11.4779 11.4900 11.4900 k = 0.2328 0.7110-0.0000 ( 4127 PWs) bands (ev): -46.6241 -46.6241 -46.6210 -46.6210 -23.3686 -23.3686 -23.3596 -23.3596 -22.7494 -22.7494 -22.7448 -22.7448 -22.6748 -22.6748 -22.6525 -22.6525 2.1846 2.1846 3.4769 3.4769 4.3248 4.3248 5.7792 5.7792 6.2817 6.2817 8.4622 8.4622 8.6997 8.6997 9.1017 9.1017 9.1907 9.1907 9.3338 9.3338 11.1778 11.1778 11.3250 11.3250 11.5010 11.5010 11.5167 11.5167 k = 0.2390 0.7302-0.0000 ( 4137 PWs) bands (ev): -46.6238 -46.6238 -46.6213 -46.6213 -23.3680 -23.3680 -23.3604 -23.3604 -22.7496 -22.7496 -22.7448 -22.7448 -22.6736 -22.6736 -22.6538 -22.6538 2.2791 2.2791 3.3789 3.3789 4.2133 4.2133 5.8610 5.8610 6.3701 6.3701 8.4511 8.4511 8.6803 8.6803 9.0874 9.0874 9.1710 9.1710 9.3728 9.3728 11.1588 11.1588 11.3198 11.3198 11.5299 11.5299 11.5384 11.5384 k = 0.2453 0.7495-0.0000 ( 4135 PWs) bands (ev): -46.6235 -46.6235 -46.6216 -46.6216 -23.3673 -23.3673 -23.3611 -23.3611 -22.7497 -22.7497 -22.7447 -22.7447 -22.6723 -22.6723 -22.6550 -22.6550 2.3697 2.3697 3.2893 3.2893 4.1030 4.1030 5.9446 5.9446 6.4602 6.4602 8.4401 8.4401 8.6583 8.6583 9.0750 9.0750 9.1519 9.1519 9.4116 9.4116 11.1392 11.1392 11.3019 11.3019 11.5416 11.5416 11.5751 11.5751 k = 0.2516 0.7687-0.0000 ( 4139 PWs) bands (ev): -46.6232 -46.6232 -46.6219 -46.6219 -23.3666 -23.3666 -23.3618 -23.3618 -22.7497 -22.7497 -22.7447 -22.7447 -22.6712 -22.6712 -22.6563 -22.6563 2.4518 2.4518 3.2126 3.2126 3.9941 3.9941 6.0300 6.0300 6.5517 6.5517 8.4294 8.4294 8.6339 8.6339 9.0644 9.0644 9.1335 9.1335 9.4501 9.4501 11.1191 11.1191 11.2728 11.2728 11.5367 11.5367 11.6214 11.6214 k = 0.2579 0.7879-0.0000 ( 4123 PWs) bands (ev): -46.6229 -46.6229 -46.6222 -46.6222 -23.3658 -23.3658 -23.3624 -23.3624 -22.7497 -22.7497 -22.7444 -22.7444 -22.6699 -22.6699 -22.6575 -22.6575 2.5172 2.5172 3.1572 3.1572 3.8868 3.8868 6.1170 6.1170 6.6442 6.6442 8.4188 8.4188 8.6073 8.6073 9.0556 9.0556 9.1157 9.1157 9.4880 9.4880 11.0987 11.0987 11.2343 11.2343 11.5171 11.5171 11.6725 11.6725 k = 0.2642 0.8071-0.0000 ( 4127 PWs) bands (ev): -46.6226 -46.6226 -46.6225 -46.6225 -23.3651 -23.3651 -23.3630 -23.3630 -22.7497 -22.7497 -22.7443 -22.7443 -22.6688 -22.6688 -22.6588 -22.6588 2.5537 2.5537 3.1351 3.1351 3.7813 3.7813 6.2055 6.2055 6.7373 6.7373 8.4085 8.4085 8.5790 8.5790 9.0486 9.0486 9.0987 9.0987 9.5253 9.5253 11.0779 11.0779 11.1877 11.1877 11.4847 11.4847 11.7265 11.7265 k = 0.2705 0.8263-0.0000 ( 4121 PWs) bands (ev): -46.6228 -46.6228 -46.6223 -46.6223 -23.3645 -23.3645 -23.3635 -23.3635 -22.7497 -22.7497 -22.7440 -22.7440 -22.6678 -22.6678 -22.6600 -22.6600 2.5521 2.5521 3.1558 3.1558 3.6778 3.6778 6.2954 6.2954 6.8308 6.8308 8.3983 8.3983 8.5490 8.5490 9.0434 9.0434 9.0823 9.0823 9.5619 9.5619 11.0570 11.0570 11.1343 11.1343 11.4427 11.4427 11.7821 11.7821 k = 0.2768 0.8455-0.0000 ( 4113 PWs) bands (ev): -46.6231 -46.6231 -46.6220 -46.6220 -23.3647 -23.3647 -23.3631 -23.3631 -22.7496 -22.7496 -22.7438 -22.7438 -22.6669 -22.6669 -22.6609 -22.6609 2.5163 2.5163 3.2151 3.2151 3.5763 3.5763 6.3866 6.3866 6.9242 6.9242 8.3882 8.3882 8.5177 8.5177 9.0399 9.0399 9.0666 9.0666 9.5976 9.5976 11.0360 11.0360 11.0752 11.0752 11.3946 11.3946 11.8381 11.8381 k = 0.2768 0.8455-0.0000 ( 4113 PWs) bands (ev): -46.6231 -46.6231 -46.6220 -46.6220 -23.3647 -23.3647 -23.3631 -23.3631 -22.7496 -22.7496 -22.7438 -22.7438 -22.6669 -22.6669 -22.6609 -22.6609 2.5163 2.5163 3.2151 3.2151 3.5763 3.5763 6.3866 6.3866 6.9242 6.9242 8.3882 8.3882 8.5177 8.5177 9.0399 9.0399 9.0666 9.0666 9.5976 9.5976 11.0360 11.0360 11.0752 11.0752 11.3946 11.3946 11.8381 11.8381 k = 0.2570 0.8455-0.0000 ( 4116 PWs) bands (ev): -46.6230 -46.6230 -46.6221 -46.6221 -23.3646 -23.3646 -23.3632 -23.3632 -22.7496 -22.7496 -22.7439 -22.7439 -22.6672 -22.6672 -22.6606 -22.6606 2.5280 2.5280 3.1916 3.1916 3.6143 3.6143 6.3393 6.3393 6.9152 6.9152 8.3919 8.3919 8.5218 8.5218 9.0387 9.0387 9.0720 9.0720 9.5891 9.5891 11.0398 11.0398 11.0944 11.0944 11.4098 11.4098 11.8198 11.8198 k = 0.2372 0.8455-0.0000 ( 4116 PWs) bands (ev): -46.6230 -46.6230 -46.6221 -46.6221 -23.3647 -23.3647 -23.3632 -23.3632 -22.7496 -22.7496 -22.7440 -22.7440 -22.6676 -22.6676 -22.6601 -22.6601 2.5343 2.5343 3.1673 3.1673 3.6660 3.6660 6.2594 6.2594 6.9390 6.9390 8.3968 8.3968 8.5152 8.5152 9.0335 9.0335 9.0783 9.0783 9.5852 9.5852 11.0384 11.0384 11.1145 11.1145 11.4245 11.4245 11.7992 11.7992 k = 0.2175 0.8455-0.0000 ( 4116 PWs) bands (ev): -46.6230 -46.6230 -46.6221 -46.6221 -23.3649 -23.3649 -23.3630 -23.3630 -22.7495 -22.7495 -22.7442 -22.7442 -22.6680 -22.6680 -22.6597 -22.6597 2.5362 2.5362 3.1429 3.1429 3.7291 3.7291 6.1588 6.1588 6.9837 6.9837 8.4028 8.4028 8.4991 8.4991 9.0242 9.0242 9.0850 9.0850 9.5859 9.5859 11.0321 11.0321 11.1353 11.1353 11.4383 11.4383 11.7772 11.7772 k = 0.1977 0.8455-0.0000 ( 4111 PWs) bands (ev): -46.6230 -46.6230 -46.6221 -46.6221 -23.3652 -23.3652 -23.3628 -23.3628 -22.7494 -22.7494 -22.7443 -22.7443 -22.6684 -22.6684 -22.6591 -22.6591 2.5349 2.5349 3.1194 3.1194 3.8019 3.8019 6.0466 6.0466 7.0404 7.0404 8.4098 8.4098 8.4745 8.4745 9.0116 9.0116 9.0915 9.0915 9.5909 9.5909 11.0214 11.0214 11.1567 11.1567 11.4508 11.4508 11.7544 11.7544 k = 0.1779 0.8455-0.0000 ( 4114 PWs) bands (ev): -46.6230 -46.6230 -46.6221 -46.6221 -23.3654 -23.3654 -23.3626 -23.3626 -22.7493 -22.7493 -22.7446 -22.7446 -22.6688 -22.6688 -22.6587 -22.6587 2.5313 2.5313 3.0971 3.0971 3.8826 3.8826 5.9279 5.9279 7.1039 7.1039 8.4176 8.4176 8.4429 8.4429 8.9962 8.9962 9.0974 9.0974 9.5993 9.5993 11.0072 11.0072 11.1785 11.1785 11.4617 11.4617 11.7312 11.7312 k = 0.1582 0.8455-0.0000 ( 4115 PWs) bands (ev): -46.6230 -46.6230 -46.6221 -46.6221 -23.3657 -23.3657 -23.3624 -23.3624 -22.7492 -22.7492 -22.7448 -22.7448 -22.6692 -22.6692 -22.6582 -22.6582 2.5264 2.5264 3.0766 3.0766 3.9701 3.9701 5.8057 5.8057 7.1709 7.1709 8.4053 8.4053 8.4262 8.4262 8.9789 8.9789 9.1024 9.1024 9.6103 9.6103 10.9905 10.9905 11.2006 11.2006 11.4706 11.4706 11.7081 11.7081 k = 0.1384 0.8455-0.0000 ( 4111 PWs) bands (ev): -46.6231 -46.6231 -46.6220 -46.6220 -23.3659 -23.3659 -23.3622 -23.3622 -22.7490 -22.7490 -22.7450 -22.7450 -22.6696 -22.6696 -22.6578 -22.6578 2.5209 2.5209 3.0581 3.0581 4.0632 4.0632 5.6817 5.6817 7.2396 7.2396 8.3629 8.3629 8.4352 8.4352 8.9606 8.9606 9.1066 9.1066 9.6230 9.6230 10.9723 10.9723 11.2230 11.2230 11.4773 11.4773 11.6856 11.6856 k = 0.1186 0.8455-0.0000 ( 4107 PWs) bands (ev): -46.6231 -46.6231 -46.6220 -46.6220 -23.3661 -23.3661 -23.3620 -23.3620 -22.7488 -22.7488 -22.7453 -22.7453 -22.6699 -22.6699 -22.6574 -22.6574 2.5152 2.5152 3.0417 3.0417 4.1611 4.1611 5.5570 5.5570 7.3082 7.3082 8.3171 8.3171 8.4443 8.4443 8.9423 8.9423 9.1099 9.1099 9.6364 9.6364 10.9538 10.9538 11.2453 11.2453 11.4814 11.4814 11.6644 11.6644 k = 0.0989 0.8455-0.0000 ( 4108 PWs) bands (ev): -46.6232 -46.6232 -46.6219 -46.6219 -23.3662 -23.3662 -23.3619 -23.3619 -22.7486 -22.7486 -22.7456 -22.7456 -22.6701 -22.6701 -22.6571 -22.6571 2.5098 2.5098 3.0277 3.0277 4.2632 4.2632 5.4322 5.4322 7.3753 7.3753 8.2692 8.2692 8.4533 8.4533 8.9247 8.9247 9.1123 9.1123 9.6496 9.6496 10.9359 10.9359 11.2674 11.2674 11.4826 11.4826 11.6452 11.6452 k = 0.0791 0.8455-0.0000 ( 4113 PWs) bands (ev): -46.6232 -46.6232 -46.6219 -46.6219 -23.3664 -23.3664 -23.3618 -23.3618 -22.7484 -22.7484 -22.7459 -22.7459 -22.6704 -22.6704 -22.6568 -22.6568 2.5050 2.5050 3.0162 3.0162 4.3690 4.3690 5.3079 5.3079 7.4389 7.4389 8.2212 8.2212 8.4616 8.4616 8.9089 8.9089 9.1141 9.1141 9.6617 9.6617 10.9198 10.9198 11.2888 11.2888 11.4807 11.4807 11.6289 11.6289 k = 0.0593 0.8455-0.0000 ( 4113 PWs) bands (ev): -46.6232 -46.6232 -46.6218 -46.6218 -23.3665 -23.3665 -23.3617 -23.3617 -22.7482 -22.7482 -22.7462 -22.7462 -22.6705 -22.6705 -22.6566 -22.6566 2.5010 2.5010 3.0071 3.0071 4.4780 4.4780 5.1846 5.1846 7.4964 7.4964 8.1757 8.1757 8.4688 8.4688 8.8955 8.8955 9.1153 9.1153 9.6720 9.6720 10.9062 10.9062 11.3087 11.3087 11.4757 11.4757 11.6162 11.6162 k = 0.0395 0.8455-0.0000 ( 4117 PWs) bands (ev): -46.6233 -46.6233 -46.6218 -46.6218 -23.3666 -23.3666 -23.3616 -23.3616 -22.7480 -22.7480 -22.7465 -22.7465 -22.6707 -22.6707 -22.6565 -22.6565 2.4981 2.4981 3.0006 3.0006 4.5897 4.5897 5.0627 5.0627 7.5439 7.5439 8.1366 8.1366 8.4744 8.4744 8.8853 8.8853 9.1161 9.1161 9.6798 9.6798 10.8959 10.8959 11.3260 11.3260 11.4687 11.4687 11.6074 11.6074 k = 0.0198 0.8455-0.0000 ( 4112 PWs) bands (ev): -46.6233 -46.6233 -46.6218 -46.6218 -23.3666 -23.3666 -23.3616 -23.3616 -22.7477 -22.7477 -22.7467 -22.7467 -22.6707 -22.6707 -22.6563 -22.6563 2.4963 2.4963 2.9967 2.9967 4.7035 4.7035 4.9428 4.9428 7.5763 7.5763 8.1094 8.1094 8.4780 8.4780 8.8789 8.8789 9.1165 9.1165 9.6847 9.6847 10.8895 10.8895 11.3384 11.3384 11.4622 11.4622 11.6024 11.6024 k = 0.0000 0.8455-0.0000 ( 4110 PWs) bands (ev): -46.6233 -46.6233 -46.6218 -46.6218 -23.3667 -23.3667 -23.3615 -23.3615 -22.7477 -22.7477 -22.7468 -22.7468 -22.6708 -22.6708 -22.6563 -22.6563 2.4957 2.4957 2.9954 2.9954 4.8018 4.8018 4.8425 4.8425 7.5879 7.5879 8.0994 8.0994 8.4792 8.4792 8.8767 8.8767 9.1167 9.1167 9.6864 9.6864 10.8873 10.8873 11.3430 11.3430 11.4595 11.4595 11.6008 11.6008 k = 0.0000 0.8455-0.0000 ( 4110 PWs) bands (ev): -46.6233 -46.6233 -46.6218 -46.6218 -23.3667 -23.3667 -23.3615 -23.3615 -22.7477 -22.7477 -22.7468 -22.7468 -22.6708 -22.6708 -22.6563 -22.6563 2.4957 2.4957 2.9954 2.9954 4.8018 4.8018 4.8425 4.8425 7.5879 7.5879 8.0994 8.0994 8.4792 8.4792 8.8767 8.8767 9.1167 9.1167 9.6864 9.6864 10.8873 10.8873 11.3430 11.3430 11.4595 11.4595 11.6008 11.6008 k = 0.0000 0.8455 0.0202 ( 4108 PWs) bands (ev): -46.6233 -46.6233 -46.6218 -46.6218 -23.3666 -23.3666 -23.3615 -23.3615 -22.7477 -22.7477 -22.7468 -22.7468 -22.6707 -22.6707 -22.6563 -22.6563 2.4969 2.4969 2.9969 2.9969 4.8023 4.8023 4.8438 4.8438 7.5886 7.5886 8.0978 8.0978 8.4761 8.4761 8.8732 8.8732 9.1137 9.1137 9.6878 9.6878 10.8762 10.8762 11.3479 11.3479 11.4597 11.4597 11.6019 11.6019 k = 0.0000 0.8455 0.0405 ( 4114 PWs) bands (ev): -46.6233 -46.6233 -46.6218 -46.6218 -23.3667 -23.3667 -23.3616 -23.3616 -22.7477 -22.7477 -22.7468 -22.7468 -22.6708 -22.6708 -22.6563 -22.6563 2.5005 2.5005 3.0013 3.0013 4.8040 4.8040 4.8478 4.8478 7.5908 7.5908 8.0925 8.0925 8.4672 8.4672 8.8625 8.8625 9.1048 9.1048 9.6918 9.6918 10.8447 10.8447 11.3610 11.3610 11.4603 11.4603 11.6051 11.6051 k = 0.0000 0.8455 0.0607 ( 4114 PWs) bands (ev): -46.6233 -46.6233 -46.6218 -46.6218 -23.3667 -23.3667 -23.3616 -23.3616 -22.7478 -22.7478 -22.7469 -22.7469 -22.6708 -22.6708 -22.6563 -22.6563 2.5066 2.5066 3.0086 3.0086 4.8067 4.8067 4.8545 4.8545 7.5942 7.5942 8.0830 8.0830 8.4534 8.4534 8.8447 8.8447 9.0904 9.0904 9.6982 9.6982 10.7972 10.7972 11.3786 11.3786 11.4613 11.4613 11.6102 11.6102 k = 0.0000 0.8455 0.0809 ( 4114 PWs) bands (ev): -46.6233 -46.6233 -46.6218 -46.6218 -23.3668 -23.3668 -23.3617 -23.3617 -22.7478 -22.7478 -22.7470 -22.7470 -22.6708 -22.6708 -22.6563 -22.6563 2.5150 2.5150 3.0189 3.0189 4.8105 4.8105 4.8639 4.8639 7.5990 7.5990 8.0679 8.0679 8.4366 8.4366 8.8198 8.8198 9.0710 9.0710 9.7068 9.7068 10.7379 10.7379 11.3975 11.3975 11.4626 11.4626 11.6164 11.6164 k = 0.0000 0.8455 0.1012 ( 4116 PWs) bands (ev): -46.6232 -46.6232 -46.6218 -46.6218 -23.3668 -23.3668 -23.3617 -23.3617 -22.7479 -22.7479 -22.7471 -22.7471 -22.6708 -22.6708 -22.6563 -22.6563 2.5259 2.5259 3.0320 3.0320 4.8153 4.8153 4.8758 4.8758 7.6051 7.6051 8.0455 8.0455 8.4188 8.4188 8.7879 8.7879 9.0474 9.0474 9.7172 9.7172 10.6705 10.6705 11.4154 11.4154 11.4644 11.4644 11.6232 11.6232 k = 0.0000 0.8455 0.1214 ( 4118 PWs) bands (ev): -46.6232 -46.6232 -46.6218 -46.6218 -23.3669 -23.3669 -23.3618 -23.3618 -22.7480 -22.7480 -22.7472 -22.7472 -22.6708 -22.6708 -22.6564 -22.6564 2.5392 2.5392 3.0481 3.0481 4.8213 4.8213 4.8903 4.8903 7.6122 7.6122 8.0141 8.0141 8.4026 8.4026 8.7491 8.7491 9.0201 9.0201 9.7291 9.7291 10.5973 10.5973 11.4313 11.4313 11.4665 11.4665 11.6296 11.6296 k = 0.0000 0.8455 0.1416 ( 4114 PWs) bands (ev): -46.6232 -46.6232 -46.6218 -46.6218 -23.3669 -23.3669 -23.3619 -23.3619 -22.7481 -22.7481 -22.7473 -22.7473 -22.6708 -22.6708 -22.6564 -22.6564 2.5549 2.5549 3.0670 3.0670 4.8282 4.8282 4.9074 4.9074 7.6203 7.6203 7.9726 7.9726 8.3897 8.3897 8.7038 8.7038 8.9899 8.9899 9.7421 9.7421 10.5202 10.5202 11.4446 11.4446 11.4690 11.4690 11.6347 11.6347 k = 0.0000 0.8455 0.1619 ( 4116 PWs) bands (ev): -46.6232 -46.6232 -46.6217 -46.6217 -23.3670 -23.3670 -23.3620 -23.3620 -22.7483 -22.7483 -22.7475 -22.7475 -22.6708 -22.6708 -22.6564 -22.6564 2.5729 2.5729 3.0888 3.0888 4.8362 4.8362 4.9268 4.9268 7.6291 7.6291 7.9206 7.9206 8.3813 8.3813 8.6523 8.6523 8.9574 8.9574 9.7559 9.7559 10.4405 10.4405 11.4553 11.4553 11.4720 11.4720 11.6377 11.6377 k = 0.0000 0.8455 0.1821 ( 4120 PWs) bands (ev): -46.6232 -46.6232 -46.6217 -46.6217 -23.3672 -23.3672 -23.3622 -23.3622 -22.7485 -22.7485 -22.7477 -22.7477 -22.6708 -22.6708 -22.6564 -22.6564 2.5934 2.5934 3.1134 3.1134 4.8451 4.8451 4.9486 4.9486 7.6383 7.6383 7.8586 7.8586 8.3777 8.3777 8.5952 8.5952 8.9230 8.9230 9.7703 9.7703 10.3590 10.3590 11.4634 11.4634 11.4755 11.4755 11.6383 11.6383 k = 0.0000 0.8455 0.2023 ( 4118 PWs) bands (ev): -46.6232 -46.6232 -46.6217 -46.6217 -23.3673 -23.3673 -23.3623 -23.3623 -22.7487 -22.7487 -22.7479 -22.7479 -22.6708 -22.6708 -22.6564 -22.6564 2.6162 2.6162 3.1408 3.1408 4.8550 4.8550 4.9726 4.9726 7.6475 7.6475 7.7880 7.7880 8.3784 8.3784 8.5332 8.5332 8.8873 8.8873 9.7850 9.7850 10.2764 10.2764 11.4692 11.4692 11.4795 11.4795 11.6362 11.6362 k = 0.0000 0.8455 0.2226 ( 4112 PWs) bands (ev): -46.6232 -46.6232 -46.6217 -46.6217 -23.3674 -23.3674 -23.3624 -23.3624 -22.7488 -22.7488 -22.7481 -22.7481 -22.6708 -22.6708 -22.6564 -22.6564 2.6413 2.6413 3.1710 3.1710 4.8658 4.8658 4.9987 4.9987 7.6561 7.6561 7.7100 7.7100 8.3828 8.3828 8.4673 8.4673 8.8507 8.8507 9.7998 9.7998 10.1931 10.1931 11.4731 11.4731 11.4834 11.4834 11.6316 11.6316 k = 0.0000 0.8455 0.2428 ( 4118 PWs) bands (ev): -46.6232 -46.6232 -46.6217 -46.6217 -23.3675 -23.3675 -23.3626 -23.3626 -22.7491 -22.7491 -22.7483 -22.7483 -22.6708 -22.6708 -22.6565 -22.6565 2.6687 2.6687 3.2039 3.2039 4.8775 4.8775 5.0268 5.0268 7.6259 7.6259 7.6634 7.6634 8.3897 8.3897 8.3993 8.3993 8.8135 8.8135 9.8144 9.8144 10.1096 10.1096 11.4752 11.4752 11.4869 11.4869 11.6251 11.6251 k = 0.0000 0.8455 0.2631 ( 4124 PWs) bands (ev): -46.6231 -46.6231 -46.6217 -46.6217 -23.3677 -23.3677 -23.3627 -23.3627 -22.7493 -22.7493 -22.7486 -22.7486 -22.6708 -22.6708 -22.6565 -22.6565 2.6985 2.6985 3.2395 3.2395 4.8901 4.8901 5.0567 5.0567 7.5373 7.5373 7.6678 7.6678 8.3287 8.3287 8.4007 8.4007 8.7761 8.7761 9.8285 9.8285 10.0260 10.0260 11.4754 11.4754 11.4900 11.4900 11.6175 11.6175 k = 0.0000 0.8455 0.2833 ( 4118 PWs) bands (ev): -46.6231 -46.6231 -46.6216 -46.6216 -23.3678 -23.3678 -23.3629 -23.3629 -22.7495 -22.7495 -22.7488 -22.7488 -22.6708 -22.6708 -22.6565 -22.6565 2.7305 2.7305 3.2777 3.2777 4.9035 4.9035 5.0881 5.0881 7.4451 7.4451 7.6677 7.6677 8.2600 8.2600 8.4129 8.4129 8.7389 8.7389 9.8420 9.8420 9.9427 9.9427 11.4727 11.4727 11.4933 11.4933 11.6096 11.6096 k = 0.0000 0.8455 0.3035 ( 4122 PWs) bands (ev): -46.6231 -46.6231 -46.6216 -46.6216 -23.3679 -23.3679 -23.3631 -23.3631 -22.7498 -22.7498 -22.7491 -22.7491 -22.6708 -22.6708 -22.6565 -22.6565 2.7648 2.7648 3.3184 3.3184 4.9176 4.9176 5.1208 5.1208 7.3504 7.3504 7.6605 7.6605 8.1950 8.1950 8.4269 8.4269 8.7024 8.7024 9.8511 9.8511 9.8631 9.8631 11.4667 11.4667 11.4967 11.4967 11.6025 11.6025 k = 0.0000 0.8455 0.3238 ( 4122 PWs) bands (ev): -46.6231 -46.6231 -46.6216 -46.6216 -23.3681 -23.3681 -23.3633 -23.3633 -22.7500 -22.7500 -22.7493 -22.7493 -22.6708 -22.6708 -22.6565 -22.6565 2.8013 2.8013 3.3617 3.3617 4.9324 4.9324 5.1545 5.1545 7.2543 7.2543 7.6428 7.6428 8.1372 8.1372 8.4423 8.4423 8.6672 8.6672 9.7758 9.7758 9.8672 9.8672 11.4571 11.4571 11.5003 11.5003 11.5968 11.5968 k = 0.0000 0.8455 0.3440 ( 4122 PWs) bands (ev): -46.6231 -46.6231 -46.6216 -46.6216 -23.3682 -23.3682 -23.3635 -23.3635 -22.7502 -22.7502 -22.7496 -22.7496 -22.6708 -22.6708 -22.6566 -22.6566 2.8399 2.8399 3.4074 3.4074 4.9479 4.9479 5.1887 5.1887 7.1576 7.1576 7.6113 7.6113 8.0899 8.0899 8.4589 8.4589 8.6338 8.6338 9.6936 9.6936 9.8774 9.8774 11.4442 11.4442 11.5040 11.5040 11.5929 11.5929 k = 0.0000 0.8455 0.3642 ( 4120 PWs) bands (ev): -46.6230 -46.6230 -46.6216 -46.6216 -23.3684 -23.3684 -23.3636 -23.3636 -22.7505 -22.7505 -22.7499 -22.7499 -22.6708 -22.6708 -22.6566 -22.6566 2.8807 2.8807 3.4554 3.4554 4.9639 4.9639 5.2230 5.2230 7.0613 7.0613 7.5641 7.5641 8.0549 8.0549 8.4763 8.4763 8.6029 8.6029 9.6119 9.6119 9.8861 9.8861 11.4285 11.4285 11.5077 11.5077 11.5906 11.5906 k = 0.0000 0.8455 0.3845 ( 4112 PWs) bands (ev): -46.6230 -46.6230 -46.6215 -46.6215 -23.3685 -23.3685 -23.3638 -23.3638 -22.7507 -22.7507 -22.7502 -22.7502 -22.6708 -22.6708 -22.6566 -22.6566 2.9236 2.9236 3.5057 3.5057 4.9805 4.9805 5.2567 5.2567 6.9665 6.9665 7.5018 7.5018 8.0313 8.0313 8.4943 8.4943 8.5755 8.5755 9.5308 9.5308 9.8930 9.8930 11.4109 11.4109 11.5114 11.5114 11.5897 11.5897 k = 0.0000 0.8455 0.4047 ( 4108 PWs) bands (ev): -46.6230 -46.6230 -46.6215 -46.6215 -23.3686 -23.3686 -23.3640 -23.3640 -22.7510 -22.7510 -22.7504 -22.7504 -22.6707 -22.6707 -22.6566 -22.6566 2.9684 2.9684 3.5581 3.5581 4.9975 4.9975 5.2891 5.2891 6.8743 6.8743 7.4273 7.4273 8.0158 8.0158 8.5125 8.5125 8.5525 8.5525 9.4506 9.4506 9.8977 9.8977 11.3921 11.3921 11.5148 11.5148 11.5899 11.5899 k = 0.0000 0.8455 0.4249 ( 4108 PWs) bands (ev): -46.6230 -46.6230 -46.6215 -46.6215 -23.3688 -23.3688 -23.3642 -23.3642 -22.7512 -22.7512 -22.7507 -22.7507 -22.6707 -22.6707 -22.6566 -22.6566 3.0152 3.0152 3.6126 3.6126 5.0149 5.0149 5.3192 5.3192 6.7858 6.7858 7.3438 7.3438 8.0049 8.0049 8.5291 8.5291 8.5365 8.5365 9.3715 9.3715 9.9000 9.9000 11.3727 11.3727 11.5178 11.5178 11.5908 11.5908 k = 0.0000 0.8455 0.4452 ( 4114 PWs) bands (ev): -46.6229 -46.6229 -46.6215 -46.6215 -23.3690 -23.3690 -23.3644 -23.3644 -22.7515 -22.7515 -22.7510 -22.7510 -22.6707 -22.6707 -22.6566 -22.6566 3.0639 3.0639 3.6689 3.6689 5.0326 5.0326 5.3457 5.3457 6.7024 6.7024 7.2540 7.2540 7.9954 7.9954 8.5220 8.5220 8.5497 8.5497 9.2938 9.2938 9.8996 9.8996 11.3533 11.3533 11.5198 11.5198 11.5922 11.5922 k = 0.0000 0.8455 0.4654 ( 4114 PWs) bands (ev): -46.6229 -46.6229 -46.6215 -46.6215 -23.3691 -23.3691 -23.3646 -23.3646 -22.7518 -22.7518 -22.7513 -22.7513 -22.6707 -22.6707 -22.6566 -22.6566 3.1144 3.1144 3.7269 3.7269 5.0505 5.0505 5.3672 5.3672 6.6259 6.6259 7.1601 7.1601 7.9851 7.9851 8.5170 8.5170 8.5668 8.5668 9.2180 9.2180 9.8962 9.8962 11.3345 11.3345 11.5195 11.5195 11.5935 11.5935 k = 0.0000 0.8455 0.4856 ( 4116 PWs) bands (ev): -46.6229 -46.6229 -46.6214 -46.6214 -23.3693 -23.3693 -23.3647 -23.3647 -22.7520 -22.7520 -22.7515 -22.7515 -22.6707 -22.6707 -22.6566 -22.6566 3.1664 3.1664 3.7864 3.7864 5.0686 5.0686 5.3820 5.3820 6.5580 6.5580 7.0636 7.0636 7.9728 7.9728 8.5187 8.5187 8.5824 8.5824 9.1447 9.1447 9.8897 9.8897 11.3168 11.3168 11.5121 11.5121 11.5755 11.5755 k = 0.0000 0.8455 0.5059 ( 4122 PWs) bands (ev): -46.6229 -46.6229 -46.6214 -46.6214 -23.3695 -23.3695 -23.3649 -23.3649 -22.7523 -22.7523 -22.7518 -22.7518 -22.6707 -22.6707 -22.6567 -22.6567 3.2200 3.2200 3.8472 3.8472 5.0868 5.0868 5.3883 5.3883 6.5006 6.5006 6.9656 6.9656 7.9581 7.9581 8.5268 8.5268 8.5957 8.5957 9.0749 9.0749 9.8799 9.8799 11.3004 11.3004 11.4898 11.4898 11.5575 11.5575 k = 0.0000 0.8455 0.5261 ( 4114 PWs) bands (ev): -46.6228 -46.6228 -46.6214 -46.6214 -23.3696 -23.3696 -23.3651 -23.3651 -22.7525 -22.7525 -22.7520 -22.7520 -22.6707 -22.6707 -22.6566 -22.6566 3.2749 3.2749 3.9090 3.9090 5.1051 5.1051 5.3845 5.3845 6.4552 6.4552 6.8671 6.8671 7.9409 7.9409 8.5409 8.5409 8.6050 8.6050 9.0101 9.0101 9.8668 9.8668 11.2859 11.2859 11.4580 11.4580 11.5532 11.5532 k = 0.0000 0.8455 0.5463 ( 4122 PWs) bands (ev): -46.6228 -46.6228 -46.6214 -46.6214 -23.3698 -23.3698 -23.3652 -23.3652 -22.7528 -22.7528 -22.7523 -22.7523 -22.6707 -22.6707 -22.6567 -22.6567 3.3309 3.3309 3.9715 3.9715 5.1232 5.1232 5.3696 5.3696 6.4230 6.4230 6.7688 6.7688 7.9219 7.9219 8.5601 8.5601 8.6083 8.6083 8.9527 8.9527 9.8506 9.8506 11.2733 11.2733 11.4261 11.4261 11.5535 11.5535 k = 0.0000 0.8455 0.5666 ( 4122 PWs) bands (ev): -46.6228 -46.6228 -46.6214 -46.6214 -23.3699 -23.3699 -23.3654 -23.3654 -22.7530 -22.7530 -22.7525 -22.7525 -22.6707 -22.6707 -22.6567 -22.6567 3.3878 3.3878 4.0342 4.0342 5.1413 5.1413 5.3434 5.3434 6.4039 6.4039 6.6715 6.6715 7.9018 7.9018 8.5832 8.5832 8.6025 8.6025 8.9059 8.9059 9.8313 9.8313 11.2632 11.2632 11.3971 11.3971 11.5552 11.5552 k = 0.0000 0.8455 0.5868 ( 4120 PWs) bands (ev): -46.6228 -46.6228 -46.6214 -46.6214 -23.3700 -23.3700 -23.3655 -23.3655 -22.7532 -22.7532 -22.7527 -22.7527 -22.6707 -22.6707 -22.6567 -22.6567 3.4451 3.4451 4.0966 4.0966 5.1593 5.1593 5.3071 5.3071 6.3970 6.3970 6.5759 6.5759 7.8811 7.8811 8.5844 8.5844 8.6100 8.6100 8.8726 8.8726 9.8094 9.8094 11.2557 11.2557 11.3718 11.3718 11.5573 11.5573 k = 0.0000 0.8455 0.6070 ( 4120 PWs) bands (ev): -46.6228 -46.6228 -46.6213 -46.6213 -23.3701 -23.3701 -23.3657 -23.3657 -22.7533 -22.7533 -22.7529 -22.7529 -22.6707 -22.6707 -22.6567 -22.6567 3.5025 3.5025 4.1583 4.1583 5.1771 5.1771 5.2624 5.2624 6.4003 6.4003 6.4827 6.4827 7.8607 7.8607 8.5548 8.5548 8.6385 8.6385 8.8533 8.8533 9.7852 9.7852 11.2511 11.2511 11.3502 11.3502 11.5595 11.5595 k = 0.0000 0.8455 0.6273 ( 4124 PWs) bands (ev): -46.6228 -46.6228 -46.6213 -46.6213 -23.3702 -23.3702 -23.3658 -23.3658 -22.7535 -22.7535 -22.7532 -22.7532 -22.6707 -22.6707 -22.6567 -22.6567 3.5593 3.5593 4.2184 4.2184 5.1948 5.1948 5.2117 5.2117 6.3915 6.3915 6.4128 6.4128 7.8410 7.8410 8.5165 8.5165 8.6683 8.6683 8.8451 8.8451 9.7595 9.7595 11.2495 11.2495 11.3321 11.3321 11.5616 11.5616 k = 0.0000 0.8455 0.6475 ( 4132 PWs) bands (ev): -46.6228 -46.6228 -46.6213 -46.6213 -23.3703 -23.3703 -23.3660 -23.3660 -22.7537 -22.7537 -22.7534 -22.7534 -22.6707 -22.6707 -22.6568 -22.6568 3.6150 3.6150 4.2760 4.2760 5.1575 5.1575 5.2123 5.2123 6.3063 6.3063 6.4288 6.4288 7.8225 7.8225 8.4739 8.4739 8.6984 8.6984 8.8441 8.8441 9.7329 9.7329 11.2511 11.2511 11.3174 11.3174 11.5635 11.5635 k = 0.0000 0.8455 0.6677 ( 4130 PWs) bands (ev): -46.6227 -46.6227 -46.6213 -46.6213 -23.3704 -23.3704 -23.3660 -23.3660 -22.7538 -22.7538 -22.7535 -22.7535 -22.6707 -22.6707 -22.6567 -22.6567 3.6685 3.6685 4.3302 4.3302 5.1025 5.1025 5.2294 5.2294 6.2257 6.2257 6.4486 6.4486 7.8057 7.8057 8.4311 8.4311 8.7279 8.7279 8.8469 8.8469 9.7064 9.7064 11.2560 11.2560 11.3058 11.3058 11.5648 11.5648 k = 0.0000 0.8455 0.6880 ( 4128 PWs) bands (ev): -46.6227 -46.6227 -46.6213 -46.6213 -23.3705 -23.3705 -23.3661 -23.3661 -22.7539 -22.7539 -22.7537 -22.7537 -22.6707 -22.6707 -22.6567 -22.6567 3.7186 3.7186 4.3796 4.3796 5.0492 5.0492 5.2461 5.2461 6.1517 6.1517 6.4694 6.4694 7.7910 7.7910 8.3909 8.3909 8.7558 8.7558 8.8515 8.8515 9.6809 9.6809 11.2640 11.2640 11.2970 11.2970 11.5626 11.5626 k = 0.0000 0.8455 0.7082 ( 4122 PWs) bands (ev): -46.6227 -46.6227 -46.6213 -46.6213 -23.3705 -23.3705 -23.3662 -23.3662 -22.7539 -22.7539 -22.7537 -22.7537 -22.6706 -22.6706 -22.6567 -22.6567 3.7638 3.7638 4.4229 4.4229 5.0002 5.0002 5.2620 5.2620 6.0862 6.0862 6.4893 6.4893 7.7785 7.7785 8.3554 8.3554 8.7809 8.7809 8.8564 8.8564 9.6576 9.6576 11.2738 11.2738 11.2922 11.2922 11.5318 11.5318 k = 0.0000 0.8455 0.7285 ( 4122 PWs) bands (ev): -46.6227 -46.6227 -46.6213 -46.6213 -23.3705 -23.3705 -23.3662 -23.3662 -22.7540 -22.7540 -22.7538 -22.7538 -22.6706 -22.6706 -22.6567 -22.6567 3.8022 3.8022 4.4587 4.4587 4.9581 4.9581 5.2763 5.2763 6.0312 6.0312 6.5066 6.5066 7.7686 7.7686 8.3261 8.3261 8.8021 8.8021 8.8608 8.8608 9.6377 9.6377 11.2785 11.2785 11.2976 11.2976 11.4910 11.4910 k = 0.0000 0.8455 0.7487 ( 4124 PWs) bands (ev): -46.6227 -46.6227 -46.6213 -46.6213 -23.3706 -23.3706 -23.3663 -23.3663 -22.7541 -22.7541 -22.7539 -22.7539 -22.6706 -22.6706 -22.6567 -22.6567 3.8319 3.8319 4.4855 4.4855 4.9254 4.9254 5.2880 5.2880 5.9892 5.9892 6.5199 6.5199 7.7614 7.7614 8.3042 8.3042 8.8183 8.8183 8.8643 8.8643 9.6224 9.6224 11.2772 11.2772 11.3135 11.3135 11.4537 11.4537 k = 0.0000 0.8455 0.7689 ( 4126 PWs) bands (ev): -46.6227 -46.6227 -46.6213 -46.6213 -23.3706 -23.3706 -23.3663 -23.3663 -22.7541 -22.7541 -22.7540 -22.7540 -22.6706 -22.6706 -22.6568 -22.6568 3.8507 3.8507 4.5021 4.5021 4.9047 4.9047 5.2958 5.2958 5.9627 5.9627 6.5284 6.5284 7.7570 7.7570 8.2907 8.2907 8.8285 8.8285 8.8664 8.8664 9.6128 9.6128 11.2757 11.2757 11.3312 11.3312 11.4237 11.4237 k = 0.0000 0.8455 0.7892 ( 4128 PWs) bands (ev): -46.6227 -46.6227 -46.6213 -46.6213 -23.3706 -23.3706 -23.3663 -23.3663 -22.7541 -22.7541 -22.7540 -22.7540 -22.6707 -22.6707 -22.6568 -22.6568 3.8572 3.8572 4.5077 4.5077 4.8976 4.8976 5.2985 5.2985 5.9536 5.9536 6.5312 6.5312 7.7556 7.7556 8.2862 8.2862 8.8320 8.8320 8.8672 8.8672 9.6094 9.6094 11.2752 11.2752 11.3407 11.3407 11.4101 11.4101 k = 0.0000 0.8455 0.7892 ( 4128 PWs) bands (ev): -46.6227 -46.6227 -46.6213 -46.6213 -23.3706 -23.3706 -23.3663 -23.3663 -22.7541 -22.7541 -22.7540 -22.7540 -22.6707 -22.6707 -22.6568 -22.6568 3.8572 3.8572 4.5077 4.5077 4.8976 4.8976 5.2985 5.2985 5.9536 5.9536 6.5312 6.5312 7.7556 7.7556 8.2862 8.2862 8.8320 8.8320 8.8672 8.8672 9.6094 9.6094 11.2752 11.2752 11.3407 11.3407 11.4101 11.4101 k = 0.0198 0.8455 0.7892 ( 4126 PWs) bands (ev): -46.6227 -46.6227 -46.6213 -46.6213 -23.3706 -23.3706 -23.3663 -23.3663 -22.7543 -22.7543 -22.7537 -22.7537 -22.6706 -22.6706 -22.6568 -22.6568 3.8581 3.8581 4.5084 4.5084 4.8974 4.8974 5.2905 5.2905 5.9545 5.9545 6.5410 6.5410 7.7457 7.7457 8.2965 8.2965 8.7794 8.7794 8.9188 8.9188 9.6077 9.6077 11.2752 11.2752 11.3409 11.3409 11.4085 11.4085 k = 0.0395 0.8455 0.7892 ( 4128 PWs) bands (ev): -46.6227 -46.6227 -46.6213 -46.6213 -23.3706 -23.3706 -23.3664 -23.3664 -22.7546 -22.7546 -22.7534 -22.7534 -22.6706 -22.6706 -22.6569 -22.6569 3.8608 3.8608 4.5106 4.5106 4.8971 4.8971 5.2672 5.2672 5.9573 5.9573 6.5695 6.5695 7.7182 7.7182 8.3254 8.3254 8.7120 8.7120 8.9832 8.9832 9.6027 9.6027 11.2751 11.2751 11.3414 11.3414 11.4037 11.4037 k = 0.0593 0.8455 0.7892 ( 4130 PWs) bands (ev): -46.6227 -46.6227 -46.6213 -46.6213 -23.3705 -23.3705 -23.3664 -23.3664 -22.7549 -22.7549 -22.7531 -22.7531 -22.6704 -22.6704 -22.6570 -22.6570 3.8653 3.8653 4.5142 4.5142 4.8964 4.8964 5.2309 5.2309 5.9618 5.9618 6.6146 6.6146 7.6781 7.6781 8.3677 8.3677 8.6438 8.6438 9.0462 9.0462 9.5946 9.5946 11.2751 11.2751 11.3421 11.3421 11.3959 11.3959 k = 0.0791 0.8455 0.7892 ( 4128 PWs) bands (ev): -46.6226 -46.6226 -46.6213 -46.6213 -23.3704 -23.3704 -23.3665 -23.3665 -22.7551 -22.7551 -22.7528 -22.7528 -22.6702 -22.6702 -22.6572 -22.6572 3.8715 3.8715 4.5190 4.5190 4.8954 4.8954 5.1842 5.1842 5.9682 5.9682 6.6734 6.6734 7.6301 7.6301 8.4185 8.4185 8.5758 8.5758 9.1067 9.1067 9.5835 9.5835 11.2750 11.2750 11.3430 11.3430 11.3853 11.3853 k = 0.0989 0.8455 0.7892 ( 4124 PWs) bands (ev): -46.6226 -46.6226 -46.6214 -46.6214 -23.3703 -23.3703 -23.3666 -23.3666 -22.7554 -22.7554 -22.7525 -22.7525 -22.6700 -22.6700 -22.6575 -22.6575 3.8793 3.8793 4.5251 4.5251 4.8940 4.8940 5.1302 5.1302 5.9762 5.9762 6.7432 6.7432 7.5781 7.5781 8.4739 8.4739 8.5088 8.5088 9.1639 9.1639 9.5701 9.5701 11.2750 11.2750 11.3439 11.3439 11.3725 11.3725 k = 0.1186 0.8455 0.7892 ( 4120 PWs) bands (ev): -46.6226 -46.6226 -46.6214 -46.6214 -23.3701 -23.3701 -23.3667 -23.3667 -22.7556 -22.7556 -22.7522 -22.7522 -22.6697 -22.6697 -22.6578 -22.6578 3.8886 3.8886 4.5320 4.5320 4.8921 4.8921 5.0716 5.0716 5.9859 5.9859 6.8212 6.8212 7.5244 7.5244 8.4426 8.4426 8.5319 8.5319 9.2171 9.2171 9.5547 9.5547 11.2751 11.2751 11.3440 11.3440 11.3586 11.3586 k = 0.1384 0.8455 0.7892 ( 4116 PWs) bands (ev): -46.6225 -46.6225 -46.6215 -46.6215 -23.3699 -23.3699 -23.3668 -23.3668 -22.7558 -22.7558 -22.7520 -22.7520 -22.6694 -22.6694 -22.6581 -22.6581 3.8991 3.8991 4.5394 4.5394 4.8895 4.8895 5.0109 5.0109 5.9970 5.9970 6.9050 6.9050 7.4709 7.4709 8.3789 8.3789 8.5894 8.5894 9.2652 9.2652 9.5382 9.5382 11.2751 11.2751 11.3373 11.3373 11.3499 11.3499 k = 0.1582 0.8455 0.7892 ( 4114 PWs) bands (ev): -46.6225 -46.6225 -46.6215 -46.6215 -23.3697 -23.3697 -23.3670 -23.3670 -22.7559 -22.7559 -22.7517 -22.7517 -22.6690 -22.6690 -22.6586 -22.6586 3.9106 3.9106 4.5466 4.5466 4.8862 4.8862 4.9505 4.9505 6.0096 6.0096 6.9925 6.9925 7.4189 7.4189 8.3180 8.3180 8.6451 8.6451 9.3075 9.3075 9.5213 9.5213 11.2751 11.2751 11.3219 11.3219 11.3494 11.3494 k = 0.1779 0.8455 0.7892 ( 4114 PWs) bands (ev): -46.6224 -46.6224 -46.6215 -46.6215 -23.3695 -23.3695 -23.3672 -23.3672 -22.7561 -22.7561 -22.7515 -22.7515 -22.6686 -22.6686 -22.6590 -22.6590 3.9226 3.9226 4.5525 4.5525 4.8807 4.8807 4.8944 4.8944 6.0233 6.0233 7.0816 7.0816 7.3693 7.3693 8.2612 8.2612 8.6974 8.6974 9.3429 9.3429 9.5051 9.5051 11.2749 11.2749 11.3056 11.3056 11.3499 11.3499 k = 0.1977 0.8455 0.7892 ( 4114 PWs) bands (ev): -46.6224 -46.6224 -46.6216 -46.6216 -23.3693 -23.3693 -23.3673 -23.3673 -22.7562 -22.7562 -22.7513 -22.7513 -22.6681 -22.6681 -22.6595 -22.6595 3.9346 3.9346 4.5550 4.5550 4.8411 4.8411 4.8779 4.8779 6.0382 6.0382 7.1697 7.1697 7.3231 7.3231 8.2102 8.2102 8.7446 8.7446 9.3704 9.3704 9.4909 9.4909 11.2737 11.2737 11.2910 11.2910 11.3505 11.3505 k = 0.2175 0.8455 0.7892 ( 4118 PWs) bands (ev): -46.6224 -46.6224 -46.6216 -46.6216 -23.3692 -23.3692 -23.3675 -23.3675 -22.7563 -22.7563 -22.7511 -22.7511 -22.6677 -22.6677 -22.6600 -22.6600 3.9458 3.9458 4.5514 4.5514 4.8009 4.8009 4.8713 4.8713 6.0540 6.0540 7.2536 7.2536 7.2809 7.2809 8.1673 8.1673 8.7852 8.7852 9.3890 9.3890 9.4801 9.4801 11.2685 11.2685 11.2822 11.2822 11.3509 11.3509 k = 0.2372 0.8455 0.7892 ( 4114 PWs) bands (ev): -46.6224 -46.6224 -46.6216 -46.6216 -23.3690 -23.3690 -23.3676 -23.3676 -22.7563 -22.7563 -22.7510 -22.7510 -22.6673 -22.6673 -22.6605 -22.6605 3.9549 3.9549 4.5390 4.5390 4.7753 4.7753 4.8636 4.8636 6.0705 6.0705 7.2430 7.2430 7.3298 7.3298 8.1364 8.1364 8.8176 8.8176 9.3978 9.3978 9.4740 9.4740 11.2594 11.2594 11.2799 11.2799 11.3510 11.3510 k = 0.2570 0.8455 0.7892 ( 4118 PWs) bands (ev): -46.6225 -46.6225 -46.6215 -46.6215 -23.3690 -23.3690 -23.3676 -23.3676 -22.7563 -22.7563 -22.7509 -22.7509 -22.6669 -22.6669 -22.6609 -22.6609 3.9606 3.9606 4.5186 4.5186 4.7657 4.7657 4.8545 4.8545 6.0877 6.0877 7.2104 7.2104 7.3922 7.3922 8.1225 8.1225 8.8404 8.8404 9.3960 9.3960 9.4737 9.4737 11.2519 11.2519 11.2795 11.2795 11.3508 11.3508 k = 0.2768 0.8455 0.7892 ( 4114 PWs) bands (ev): -46.6226 -46.6226 -46.6214 -46.6214 -23.3691 -23.3691 -23.3674 -23.3674 -22.7563 -22.7563 -22.7508 -22.7508 -22.6666 -22.6666 -22.6612 -22.6612 3.9609 3.9609 4.4952 4.4952 4.7692 4.7692 4.8437 4.8437 6.1053 6.1053 7.1835 7.1835 7.4352 7.4352 8.1308 8.1308 8.8529 8.8529 9.3831 9.3831 9.4799 9.4799 11.2477 11.2477 11.2795 11.2795 11.3503 11.3503 k = 0.2768 0.8455 0.7892 ( 4114 PWs) bands (ev): -46.6226 -46.6226 -46.6214 -46.6214 -23.3691 -23.3691 -23.3674 -23.3674 -22.7563 -22.7563 -22.7508 -22.7508 -22.6666 -22.6666 -22.6612 -22.6612 3.9609 3.9609 4.4952 4.4952 4.7692 4.7692 4.8437 4.8437 6.1053 6.1053 7.1835 7.1835 7.4352 7.4352 8.1308 8.1308 8.8529 8.8529 9.3831 9.3831 9.4799 9.4799 11.2477 11.2477 11.2795 11.2795 11.3503 11.3503 k = 0.2705 0.8263 0.7892 ( 4118 PWs) bands (ev): -46.6223 -46.6223 -46.6217 -46.6217 -23.3688 -23.3688 -23.3679 -23.3679 -22.7564 -22.7564 -22.7510 -22.7510 -22.6675 -22.6675 -22.6603 -22.6603 3.9606 3.9606 4.5708 4.5708 4.7529 4.7529 4.8769 4.8769 6.0532 6.0532 7.2614 7.2614 7.3314 7.3314 8.0627 8.0627 8.8277 8.8277 9.4422 9.4422 9.4519 9.4519 11.2550 11.2550 11.2794 11.2794 11.3516 11.3516 k = 0.2642 0.8071 0.7892 ( 4110 PWs) bands (ev): -46.6220 -46.6220 -46.6220 -46.6220 -23.3692 -23.3692 -23.3676 -23.3676 -22.7564 -22.7564 -22.7512 -22.7512 -22.6685 -22.6685 -22.6591 -22.6591 3.9391 3.9391 4.6479 4.6479 4.7615 4.7615 4.8981 4.8981 6.0159 6.0159 7.2302 7.2302 7.3366 7.3366 7.9961 7.9961 8.8005 8.8005 9.4204 9.4204 9.5072 9.5072 11.2623 11.2623 11.2801 11.2801 11.3515 11.3515 k = 0.2579 0.7879 0.7892 ( 4110 PWs) bands (ev): -46.6223 -46.6223 -46.6217 -46.6217 -23.3698 -23.3698 -23.3670 -23.3670 -22.7564 -22.7564 -22.7513 -22.7513 -22.6697 -22.6697 -22.6578 -22.6578 3.8988 3.8988 4.7262 4.7262 4.7924 4.7924 4.9046 4.9046 5.9960 5.9960 7.1317 7.1317 7.4084 7.4084 7.9311 7.9311 8.7714 8.7714 9.3940 9.3940 9.5698 9.5698 11.2683 11.2683 11.2824 11.2824 11.3501 11.3501 k = 0.2516 0.7687 0.7892 ( 4110 PWs) bands (ev): -46.6226 -46.6226 -46.6213 -46.6213 -23.3705 -23.3705 -23.3664 -23.3664 -22.7564 -22.7564 -22.7514 -22.7514 -22.6709 -22.6709 -22.6565 -22.6565 3.8442 3.8442 4.8056 4.8056 4.8408 4.8408 4.8955 4.8955 5.9950 5.9950 7.0361 7.0361 7.4759 7.4759 7.8680 7.8680 8.7404 8.7404 9.3702 9.3702 9.6329 9.6329 11.2710 11.2710 11.2883 11.2883 11.3479 11.3479 k = 0.2453 0.7495 0.7892 ( 4110 PWs) bands (ev): -46.6229 -46.6229 -46.6210 -46.6210 -23.3711 -23.3711 -23.3657 -23.3657 -22.7563 -22.7563 -22.7515 -22.7515 -22.6721 -22.6721 -22.6552 -22.6552 3.7800 3.7800 4.8687 4.8687 4.8861 4.8861 4.9041 4.9041 6.0125 6.0125 6.9439 6.9439 7.5382 7.5382 7.8068 7.8068 8.7078 8.7078 9.3494 9.3494 9.6963 9.6963 11.2710 11.2710 11.2970 11.2970 11.3456 11.3456 k = 0.2390 0.7302 0.7892 ( 4098 PWs) bands (ev): -46.6232 -46.6232 -46.6207 -46.6207 -23.3718 -23.3718 -23.3650 -23.3650 -22.7562 -22.7562 -22.7515 -22.7515 -22.6734 -22.6734 -22.6539 -22.6539 3.7098 3.7098 4.8305 4.8305 4.9673 4.9673 4.9740 4.9740 6.0468 6.0468 6.8552 6.8552 7.5942 7.5942 7.7478 7.7478 8.6737 8.6737 9.3324 9.3324 9.7598 9.7598 11.2695 11.2695 11.3071 11.3071 11.3440 11.3440 k = 0.2328 0.7110 0.7892 ( 4090 PWs) bands (ev): -46.6235 -46.6235 -46.6204 -46.6204 -23.3724 -23.3724 -23.3643 -23.3643 -22.7560 -22.7560 -22.7515 -22.7515 -22.6746 -22.6746 -22.6525 -22.6525 3.6360 3.6360 4.7803 4.7803 5.0490 5.0490 5.0506 5.0506 6.0956 6.0956 6.7708 6.7708 7.6425 7.6425 7.6920 7.6920 8.6382 8.6382 9.3198 9.3198 9.8234 9.8234 11.2670 11.2670 11.3178 11.3178 11.3439 11.3439 k = 0.2265 0.6918 0.7892 ( 4092 PWs) bands (ev): -46.6238 -46.6238 -46.6201 -46.6201 -23.3730 -23.3730 -23.3636 -23.3636 -22.7559 -22.7559 -22.7515 -22.7515 -22.6760 -22.6760 -22.6512 -22.6512 3.5603 3.5603 4.7214 4.7214 5.1304 5.1304 5.1317 5.1317 6.1560 6.1560 6.6911 6.6911 7.6352 7.6352 7.6863 7.6863 8.6016 8.6016 9.3121 9.3121 9.8869 9.8869 11.2636 11.2636 11.3283 11.3283 11.3464 11.3464 k = 0.2202 0.6726 0.7892 ( 4084 PWs) bands (ev): -46.6242 -46.6242 -46.6198 -46.6198 -23.3736 -23.3736 -23.3629 -23.3629 -22.7556 -22.7556 -22.7514 -22.7514 -22.6772 -22.6772 -22.6499 -22.6499 3.4841 3.4841 4.6563 4.6563 5.2122 5.2122 5.2140 5.2140 6.2258 6.2258 6.6172 6.6172 7.5848 7.5848 7.7181 7.7181 8.5639 8.5639 9.3098 9.3098 9.9502 9.9502 11.2595 11.2595 11.3377 11.3377 11.3526 11.3526 k = 0.2139 0.6534 0.7892 ( 4096 PWs) bands (ev): -46.6245 -46.6245 -46.6195 -46.6195 -23.3742 -23.3742 -23.3622 -23.3622 -22.7554 -22.7554 -22.7513 -22.7513 -22.6786 -22.6786 -22.6487 -22.6487 3.4079 3.4079 4.5870 4.5870 5.2935 5.2935 5.2960 5.2960 6.3030 6.3030 6.5504 6.5504 7.5369 7.5369 7.7414 7.7414 8.5253 8.5253 9.3133 9.3133 10.0130 10.0130 11.2545 11.2545 11.3459 11.3459 11.3628 11.3628 k = 0.2076 0.6342 0.7892 ( 4100 PWs) bands (ev): -46.6248 -46.6248 -46.6193 -46.6193 -23.3748 -23.3748 -23.3615 -23.3615 -22.7551 -22.7551 -22.7512 -22.7512 -22.6800 -22.6800 -22.6474 -22.6474 3.3325 3.3325 4.5149 4.5149 5.3715 5.3715 5.3773 5.3773 6.3862 6.3862 6.4928 6.4928 7.4925 7.4925 7.7554 7.7554 8.4861 8.4861 9.3227 9.3227 10.0754 10.0754 11.2489 11.2489 11.3540 11.3540 11.3753 11.3753 k = 0.2013 0.6149 0.7892 ( 4102 PWs) bands (ev): -46.6251 -46.6251 -46.6190 -46.6190 -23.3754 -23.3754 -23.3607 -23.3607 -22.7548 -22.7548 -22.7510 -22.7510 -22.6813 -22.6813 -22.6462 -22.6462 3.2581 3.2581 4.4412 4.4412 5.4432 5.4432 5.4576 5.4576 6.4471 6.4471 6.4743 6.4743 7.4522 7.4522 7.7602 7.7602 8.4463 8.4463 9.3377 9.3377 10.1371 10.1371 11.2426 11.2426 11.3629 11.3629 11.3889 11.3889 k = 0.1950 0.5957 0.7892 ( 4102 PWs) bands (ev): -46.6254 -46.6254 -46.6187 -46.6187 -23.3759 -23.3759 -23.3600 -23.3600 -22.7545 -22.7545 -22.7508 -22.7508 -22.6827 -22.6827 -22.6450 -22.6450 3.1850 3.1850 4.3668 4.3668 5.5044 5.5044 5.5362 5.5362 6.4172 6.4172 6.5662 6.5662 7.4163 7.4163 7.7563 7.7563 8.4062 8.4062 9.3580 9.3580 10.1980 10.1980 11.2357 11.2357 11.3726 11.3726 11.4032 11.4032 k = 0.1887 0.5765 0.7892 ( 4098 PWs) bands (ev): -46.6257 -46.6257 -46.6184 -46.6184 -23.3764 -23.3764 -23.3592 -23.3592 -22.7541 -22.7541 -22.7506 -22.7506 -22.6840 -22.6840 -22.6437 -22.6437 3.1136 3.1136 4.2923 4.2923 5.5506 5.5506 5.6124 5.6124 6.4074 6.4074 6.6615 6.6615 7.3856 7.3856 7.7443 7.7443 8.3659 8.3659 9.3829 9.3829 10.2580 10.2580 11.2282 11.2282 11.3826 11.3826 11.4180 11.4180 k = 0.1824 0.5573 0.7892 ( 4094 PWs) bands (ev): -46.6260 -46.6260 -46.6182 -46.6182 -23.3769 -23.3769 -23.3584 -23.3584 -22.7537 -22.7537 -22.7504 -22.7504 -22.6853 -22.6853 -22.6425 -22.6425 3.0439 3.0439 4.2182 4.2182 5.5781 5.5781 5.6856 5.6856 6.4210 6.4210 6.7596 6.7596 7.3606 7.3606 7.7252 7.7252 8.3256 8.3256 9.4117 9.4117 10.3169 10.3169 11.2202 11.2202 11.3925 11.3925 11.4331 11.4331 k = 0.1761 0.5381 0.7892 ( 4114 PWs) bands (ev): -46.6263 -46.6263 -46.6179 -46.6179 -23.3774 -23.3774 -23.3578 -23.3578 -22.7533 -22.7533 -22.7501 -22.7501 -22.6867 -22.6867 -22.6414 -22.6414 2.9761 2.9761 4.1450 4.1450 5.5859 5.5859 5.7549 5.7549 6.4590 6.4590 6.8601 6.8601 7.3423 7.3423 7.6999 7.6999 8.2854 8.2854 9.4437 9.4437 10.3746 10.3746 11.2117 11.2117 11.4021 11.4021 11.4484 11.4484 k = 0.1698 0.5189 0.7892 ( 4122 PWs) bands (ev): -46.6266 -46.6266 -46.6177 -46.6177 -23.3779 -23.3779 -23.3570 -23.3570 -22.7529 -22.7529 -22.7499 -22.7499 -22.6881 -22.6881 -22.6403 -22.6403 2.9103 2.9103 4.0730 4.0730 5.5760 5.5760 5.8194 5.8194 6.5192 6.5192 6.9626 6.9626 7.3313 7.3313 7.6693 7.6693 8.2454 8.2454 9.4783 9.4783 10.4310 10.4310 11.2028 11.2028 11.4110 11.4110 11.4638 11.4638 k = 0.1636 0.4996 0.7892 ( 4118 PWs) bands (ev): -46.6269 -46.6269 -46.6174 -46.6174 -23.3784 -23.3784 -23.3563 -23.3563 -22.7524 -22.7524 -22.7495 -22.7495 -22.6894 -22.6894 -22.6392 -22.6392 2.8465 2.8465 4.0023 4.0023 5.5527 5.5527 5.8782 5.8782 6.5972 6.5972 7.0669 7.0669 7.3285 7.3285 7.6345 7.6345 8.2059 8.2059 9.5146 9.5146 10.4859 10.4859 11.1935 11.1935 11.4191 11.4191 11.4792 11.4792 k = 0.1573 0.4804 0.7892 ( 4122 PWs) bands (ev): -46.6272 -46.6272 -46.6172 -46.6172 -23.3788 -23.3788 -23.3556 -23.3556 -22.7520 -22.7520 -22.7491 -22.7491 -22.6908 -22.6908 -22.6381 -22.6381 2.7848 2.7848 3.9334 3.9334 5.5199 5.5199 5.9303 5.9303 6.6888 6.6888 7.1727 7.1727 7.3346 7.3346 7.5963 7.5963 8.1669 8.1669 9.5523 9.5523 10.5392 10.5392 11.1839 11.1839 11.4263 11.4263 11.4945 11.4945 k = 0.1510 0.4612 0.7892 ( 4126 PWs) bands (ev): -46.6275 -46.6275 -46.6170 -46.6170 -23.3792 -23.3792 -23.3549 -23.3549 -22.7516 -22.7516 -22.7486 -22.7486 -22.6921 -22.6921 -22.6370 -22.6370 2.7253 2.7253 3.8662 3.8662 5.4813 5.4813 5.9753 5.9753 6.7904 6.7904 7.2798 7.2798 7.3502 7.3502 7.5556 7.5556 8.1287 8.1287 9.5909 9.5909 10.5909 10.5909 11.1739 11.1739 11.4327 11.4327 11.5096 11.5096 k = 0.1447 0.4420 0.7892 ( 4130 PWs) bands (ev): -46.6278 -46.6278 -46.6167 -46.6167 -23.3796 -23.3796 -23.3542 -23.3542 -22.7511 -22.7511 -22.7482 -22.7482 -22.6934 -22.6934 -22.6360 -22.6360 2.6681 2.6681 3.8011 3.8011 5.4392 5.4392 6.0125 6.0125 6.8993 6.8993 7.3751 7.3751 7.3882 7.3882 7.5131 7.5131 8.0914 8.0914 9.6300 9.6300 10.6408 10.6408 11.1637 11.1637 11.4382 11.4382 11.5244 11.5244 k = 0.1384 0.4228 0.7892 ( 4134 PWs) bands (ev): -46.6280 -46.6280 -46.6165 -46.6165 -23.3799 -23.3799 -23.3535 -23.3535 -22.7507 -22.7507 -22.7476 -22.7476 -22.6947 -22.6947 -22.6350 -22.6350 2.6131 2.6131 3.7380 3.7380 5.3954 5.3954 6.0421 6.0421 7.0137 7.0137 7.4100 7.4100 7.4695 7.4695 7.4969 7.4969 8.0552 8.0552 9.6694 9.6694 10.6889 10.6889 11.1531 11.1531 11.4429 11.4429 11.5386 11.5386 k = 0.1321 0.4036 0.7892 ( 4138 PWs) bands (ev): -46.6283 -46.6283 -46.6163 -46.6163 -23.3803 -23.3803 -23.3528 -23.3528 -22.7503 -22.7503 -22.7470 -22.7470 -22.6961 -22.6961 -22.6340 -22.6340 2.5604 2.5604 3.6772 3.6772 5.3510 5.3510 6.0642 6.0642 7.1322 7.1322 7.4238 7.4238 7.4553 7.4553 7.6060 7.6060 8.0206 8.0206 9.7088 9.7088 10.7349 10.7349 11.1422 11.1422 11.4467 11.4467 11.5520 11.5520 k = 0.1258 0.3843 0.7892 ( 4128 PWs) bands (ev): -46.6285 -46.6285 -46.6161 -46.6161 -23.3806 -23.3806 -23.3521 -23.3521 -22.7499 -22.7499 -22.7463 -22.7463 -22.6973 -22.6973 -22.6331 -22.6331 2.5100 2.5100 3.6187 3.6187 5.3069 5.3069 6.0796 6.0796 7.2538 7.2538 7.3799 7.3799 7.5069 7.5069 7.7143 7.7143 7.9886 7.9886 9.7482 9.7482 10.7790 10.7790 11.1310 11.1310 11.4498 11.4498 11.5642 11.5642 k = 0.1195 0.3651 0.7892 ( 4124 PWs) bands (ev): -46.6288 -46.6288 -46.6159 -46.6159 -23.3809 -23.3809 -23.3515 -23.3515 -22.7495 -22.7495 -22.7456 -22.7456 -22.6986 -22.6986 -22.6321 -22.6321 2.4620 2.4620 3.5626 3.5626 5.2636 5.2636 6.0889 6.0889 7.3356 7.3356 7.3778 7.3778 7.5662 7.5662 7.8172 7.8172 7.9637 7.9637 9.7875 9.7875 10.8210 10.8210 11.1194 11.1194 11.4522 11.4522 11.5608 11.5608 k = 0.1132 0.3459 0.7892 ( 4126 PWs) bands (ev): -46.6290 -46.6290 -46.6158 -46.6158 -23.3812 -23.3812 -23.3509 -23.3509 -22.7492 -22.7492 -22.7448 -22.7448 -22.6999 -22.6999 -22.6313 -22.6313 2.4163 2.4163 3.5091 3.5091 5.2215 5.2215 6.0932 6.0932 7.2921 7.2921 7.5033 7.5033 7.6315 7.6315 7.8802 7.8802 7.9805 7.9805 9.8264 9.8264 10.8607 10.8607 11.1072 11.1072 11.4539 11.4539 11.5252 11.5252 k = 0.1069 0.3267 0.7892 ( 4138 PWs) bands (ev): -46.6292 -46.6292 -46.6156 -46.6156 -23.3815 -23.3815 -23.3503 -23.3503 -22.7489 -22.7489 -22.7440 -22.7440 -22.7013 -22.7013 -22.6305 -22.6305 2.3731 2.3731 3.4580 3.4580 5.1809 5.1809 6.0934 6.0934 7.2494 7.2494 7.6299 7.6299 7.7016 7.7016 7.8707 7.8707 8.0713 8.0713 9.8650 9.8650 10.8983 10.8983 11.0942 11.0942 11.4550 11.4550 11.4839 11.4839 k = 0.1007 0.3075 0.7892 ( 4142 PWs) bands (ev): -46.6295 -46.6295 -46.6154 -46.6154 -23.3817 -23.3817 -23.3497 -23.3497 -22.7486 -22.7486 -22.7432 -22.7432 -22.7025 -22.7025 -22.6297 -22.6297 2.3322 2.3322 3.4096 3.4096 5.1420 5.1420 6.0903 6.0903 7.2081 7.2081 7.7568 7.7568 7.7749 7.7749 7.8461 7.8461 8.1790 8.1790 9.9030 9.9030 10.9336 10.9336 11.0801 11.0801 11.4387 11.4387 11.4555 11.4555 k = 0.0944 0.2883 0.7892 ( 4138 PWs) bands (ev): -46.6297 -46.6297 -46.6153 -46.6153 -23.3820 -23.3820 -23.3491 -23.3491 -22.7483 -22.7483 -22.7423 -22.7423 -22.7038 -22.7038 -22.6289 -22.6289 2.2937 2.2937 3.3639 3.3639 5.1051 5.1051 6.0848 6.0848 7.1682 7.1682 7.8184 7.8184 7.8522 7.8522 7.8838 7.8838 8.2896 8.2896 9.9405 9.9405 10.9664 10.9664 11.0642 11.0642 11.3908 11.3908 11.4553 11.4553 k = 0.0881 0.2690 0.7892 ( 4130 PWs) bands (ev): -46.6298 -46.6298 -46.6152 -46.6152 -23.3822 -23.3822 -23.3485 -23.3485 -22.7481 -22.7481 -22.7414 -22.7414 -22.7050 -22.7050 -22.6281 -22.6281 2.2577 2.2577 3.3209 3.3209 5.0701 5.0701 6.0775 6.0775 7.1301 7.1301 7.7934 7.7934 7.9286 7.9286 8.0100 8.0100 8.4011 8.4011 9.9773 9.9773 10.9963 10.9963 11.0460 11.0460 11.3417 11.3417 11.4545 11.4545 k = 0.0818 0.2498 0.7892 ( 4138 PWs) bands (ev): -46.6300 -46.6300 -46.6150 -46.6150 -23.3824 -23.3824 -23.3481 -23.3481 -22.7479 -22.7479 -22.7405 -22.7405 -22.7063 -22.7063 -22.6274 -22.6274 2.2241 2.2241 3.2807 3.2807 5.0374 5.0374 6.0691 6.0691 7.0939 7.0939 7.7690 7.7690 8.0059 8.0059 8.1348 8.1348 8.5126 8.5126 10.0133 10.0133 11.0139 11.0139 11.0333 11.0333 11.2934 11.2934 11.4532 11.4532 k = 0.0755 0.2306 0.7892 ( 4138 PWs) bands (ev): -46.6302 -46.6302 -46.6149 -46.6149 -23.3826 -23.3826 -23.3476 -23.3476 -22.7477 -22.7477 -22.7395 -22.7395 -22.7075 -22.7075 -22.6268 -22.6268 2.1930 2.1930 3.2433 3.2433 5.0068 5.0068 6.0599 6.0599 7.0598 7.0598 7.7459 7.7459 8.0824 8.0824 8.2577 8.2577 8.6238 8.6238 10.0482 10.0482 10.9891 10.9891 11.0539 11.0539 11.2484 11.2484 11.4513 11.4513 k = 0.0692 0.2114 0.7892 ( 4142 PWs) bands (ev): -46.6303 -46.6303 -46.6148 -46.6148 -23.3828 -23.3828 -23.3472 -23.3472 -22.7475 -22.7475 -22.7386 -22.7386 -22.7087 -22.7087 -22.6262 -22.6262 2.1644 2.1644 3.2088 3.2088 4.9785 4.9785 6.0504 6.0504 7.0279 7.0279 7.7244 7.7244 8.1571 8.1571 8.3777 8.3777 8.7344 8.7344 10.0820 10.0820 10.9506 10.9506 11.0767 11.0767 11.2097 11.2097 11.4489 11.4489 k = 0.0629 0.1922 0.7892 ( 4140 PWs) bands (ev): -46.6305 -46.6305 -46.6147 -46.6147 -23.3829 -23.3829 -23.3468 -23.3468 -22.7473 -22.7473 -22.7376 -22.7376 -22.7098 -22.7098 -22.6257 -22.6257 2.1382 2.1382 3.1771 3.1771 4.9526 4.9526 6.0409 6.0409 6.9985 6.9985 7.7045 7.7045 8.2293 8.2293 8.4941 8.4941 8.8441 8.8441 10.1143 10.1143 10.9017 10.9017 11.0970 11.0970 11.1792 11.1792 11.4459 11.4459 k = 0.0566 0.1730 0.7892 ( 4148 PWs) bands (ev): -46.6306 -46.6306 -46.6146 -46.6146 -23.3831 -23.3831 -23.3465 -23.3465 -22.7471 -22.7471 -22.7366 -22.7366 -22.7110 -22.7110 -22.6252 -22.6252 2.1145 2.1145 3.1484 3.1484 4.9290 4.9290 6.0318 6.0318 6.9715 6.9715 7.6864 7.6864 8.2979 8.2979 8.6058 8.6058 8.9525 8.9525 10.1449 10.1449 10.8433 10.8433 11.1130 11.1130 11.1581 11.1581 11.4426 11.4426 k = 0.0503 0.1537 0.7892 ( 4144 PWs) bands (ev): -46.6307 -46.6307 -46.6145 -46.6145 -23.3832 -23.3832 -23.3461 -23.3461 -22.7470 -22.7470 -22.7357 -22.7357 -22.7121 -22.7121 -22.6248 -22.6248 2.0932 2.0932 3.1226 3.1226 4.9078 4.9078 6.0231 6.0231 6.9471 6.9471 7.6701 7.6701 8.3621 8.3621 8.7117 8.7117 9.0593 9.0593 10.1736 10.1736 10.7775 10.7775 11.1189 11.1189 11.1510 11.1510 11.4389 11.4389 k = 0.0440 0.1345 0.7892 ( 4140 PWs) bands (ev): -46.6309 -46.6309 -46.6144 -46.6144 -23.3833 -23.3833 -23.3458 -23.3458 -22.7468 -22.7468 -22.7347 -22.7347 -22.7132 -22.7132 -22.6244 -22.6244 2.0745 2.0745 3.0998 3.0998 4.8891 4.8891 6.0151 6.0151 6.9254 6.9254 7.6555 7.6555 8.4212 8.4212 8.8105 8.8105 9.1639 9.1639 10.2000 10.2000 10.7063 10.7063 11.1126 11.1126 11.1584 11.1584 11.4350 11.4350 k = 0.0377 0.1153 0.7892 ( 4136 PWs) bands (ev): -46.6309 -46.6309 -46.6144 -46.6144 -23.3833 -23.3833 -23.3455 -23.3455 -22.7467 -22.7467 -22.7338 -22.7338 -22.7142 -22.7142 -22.6240 -22.6240 2.0582 2.0582 3.0801 3.0801 4.8728 4.8728 6.0079 6.0079 6.9065 6.9065 7.6429 7.6429 8.4743 8.4743 8.9008 8.9008 9.2656 9.2656 10.2238 10.2238 10.6320 10.6320 11.1043 11.1043 11.1691 11.1691 11.4310 11.4310 k = 0.0315 0.0961 0.7892 ( 4132 PWs) bands (ev): -46.6310 -46.6310 -46.6143 -46.6143 -23.3834 -23.3834 -23.3453 -23.3453 -22.7465 -22.7465 -22.7329 -22.7329 -22.7152 -22.7152 -22.6237 -22.6237 2.0445 2.0445 3.0633 3.0633 4.8590 4.8590 6.0016 6.0016 6.8903 6.8903 7.6322 7.6322 8.5206 8.5206 8.9811 8.9811 9.3632 9.3632 10.2447 10.2447 10.5565 10.5565 11.0971 11.0971 11.1789 11.1789 11.4270 11.4270 k = 0.0252 0.0769 0.7892 ( 4132 PWs) bands (ev): -46.6311 -46.6311 -46.6143 -46.6143 -23.3835 -23.3835 -23.3451 -23.3451 -22.7465 -22.7465 -22.7321 -22.7321 -22.7160 -22.7160 -22.6235 -22.6235 2.0332 2.0332 3.0495 3.0495 4.8477 4.8477 5.9964 5.9964 6.8771 6.8771 7.6233 7.6233 8.5596 8.5596 9.0498 9.0498 9.4550 9.4550 10.2622 10.2622 10.4824 10.4824 11.0914 11.0914 11.1872 11.1872 11.4234 11.4234 k = 0.0189 0.0577 0.7892 ( 4136 PWs) bands (ev): -46.6311 -46.6311 -46.6142 -46.6142 -23.3835 -23.3835 -23.3450 -23.3450 -22.7464 -22.7464 -22.7315 -22.7315 -22.7168 -22.7168 -22.6233 -22.6233 2.0244 2.0244 3.0388 3.0388 4.8389 4.8389 5.9922 5.9922 6.8667 6.8667 7.6165 7.6165 8.5906 8.5906 9.1053 9.1053 9.5379 9.5379 10.2760 10.2760 10.4132 10.4132 11.0871 11.0871 11.1937 11.1937 11.4202 11.4202 k = 0.0126 0.0384 0.7892 ( 4140 PWs) bands (ev): -46.6312 -46.6312 -46.6142 -46.6142 -23.3836 -23.3836 -23.3449 -23.3449 -22.7464 -22.7464 -22.7309 -22.7309 -22.7174 -22.7174 -22.6232 -22.6232 2.0182 2.0182 3.0312 3.0312 4.8326 4.8326 5.9892 5.9892 6.8593 6.8593 7.6115 7.6115 8.6130 8.6130 9.1462 9.1462 9.6072 9.6072 10.2851 10.2851 10.3544 10.3544 11.0842 11.0842 11.1983 11.1983 11.4178 11.4178 k = 0.0063 0.0192 0.7892 ( 4132 PWs) bands (ev): -46.6312 -46.6312 -46.6142 -46.6142 -23.3836 -23.3836 -23.3448 -23.3448 -22.7463 -22.7463 -22.7306 -22.7306 -22.7177 -22.7177 -22.6231 -22.6231 2.0144 2.0144 3.0266 3.0266 4.8288 4.8288 5.9874 5.9874 6.8548 6.8548 7.6086 7.6086 8.6267 8.6267 9.1712 9.1712 9.6550 9.6550 10.2870 10.2870 10.3166 10.3166 11.0824 11.0824 11.2011 11.2011 11.4163 11.4163 k = 0.0000 0.0000 0.7892 ( 4126 PWs) bands (ev): -46.6312 -46.6312 -46.6142 -46.6142 -23.3836 -23.3836 -23.3448 -23.3448 -22.7463 -22.7463 -22.7304 -22.7304 -22.7178 -22.7178 -22.6230 -22.6230 2.0132 2.0132 3.0250 3.0250 4.8276 4.8276 5.9868 5.9868 6.8533 6.8533 7.6076 7.6076 8.6313 8.6313 9.1797 9.1797 9.6724 9.6724 10.2825 10.2825 10.3075 10.3075 11.0818 11.0818 11.2021 11.2021 11.4158 11.4158 k = 0.0000 0.0000 0.7892 ( 4126 PWs) bands (ev): -46.6312 -46.6312 -46.6142 -46.6142 -23.3836 -23.3836 -23.3448 -23.3448 -22.7463 -22.7463 -22.7304 -22.7304 -22.7178 -22.7178 -22.6230 -22.6230 2.0132 2.0132 3.0250 3.0250 4.8276 4.8276 5.9868 5.9868 6.8533 6.8533 7.6076 7.6076 8.6313 8.6313 9.1797 9.1797 9.6724 9.6724 10.2825 10.2825 10.3075 10.3075 11.0818 11.0818 11.2021 11.2021 11.4158 11.4158 k = 0.0000 0.0000 0.7689 ( 4130 PWs) bands (ev): -46.6312 -46.6312 -46.6142 -46.6142 -23.3836 -23.3836 -23.3448 -23.3448 -22.7463 -22.7463 -22.7304 -22.7304 -22.7178 -22.7178 -22.6231 -22.6231 2.0021 2.0021 3.0381 3.0381 4.8267 4.8267 5.9770 5.9770 6.8641 6.8641 7.6097 7.6097 8.6323 8.6323 9.1762 9.1762 9.6763 9.6763 10.2801 10.2801 10.3055 10.3055 11.0771 11.0771 11.1889 11.1889 11.4274 11.4274 k = 0.0000 0.0000 0.7487 ( 4126 PWs) bands (ev): -46.6312 -46.6312 -46.6142 -46.6142 -23.3835 -23.3835 -23.3447 -23.3447 -22.7462 -22.7462 -22.7304 -22.7304 -22.7178 -22.7178 -22.6231 -22.6231 1.9707 1.9707 3.0756 3.0756 4.8242 4.8242 5.9490 5.9490 6.8949 6.8949 7.6161 7.6161 8.6356 8.6356 9.1663 9.1663 9.6877 9.6877 10.2713 10.2713 10.3010 10.3010 11.0638 11.0638 11.1557 11.1557 11.4564 11.4564 k = 0.0000 0.0000 0.7285 ( 4136 PWs) bands (ev): -46.6312 -46.6312 -46.6142 -46.6142 -23.3836 -23.3836 -23.3447 -23.3447 -22.7462 -22.7462 -22.7303 -22.7303 -22.7179 -22.7179 -22.6231 -22.6231 1.9226 1.9226 3.1336 3.1336 4.8201 4.8201 5.9061 5.9061 6.9422 6.9422 7.6267 7.6267 8.6411 8.6411 9.1507 9.1507 9.7057 9.7057 10.2542 10.2542 10.2967 10.2967 11.0442 11.0442 11.1118 11.1118 11.4935 11.4935 k = 0.0000 0.0000 0.7082 ( 4136 PWs) bands (ev): -46.6312 -46.6312 -46.6142 -46.6142 -23.3835 -23.3835 -23.3446 -23.3446 -22.7461 -22.7461 -22.7302 -22.7302 -22.7179 -22.7179 -22.6231 -22.6231 1.8626 1.8626 3.2074 3.2074 4.8147 4.8147 5.8524 5.8524 7.0022 7.0022 7.6414 7.6414 8.6486 8.6486 9.1304 9.1304 9.7293 9.7293 10.2289 10.2289 10.2930 10.2930 11.0200 11.0200 11.0631 11.0631 11.5340 11.5340 k = 0.0000 0.0000 0.6880 ( 4144 PWs) bands (ev): -46.6312 -46.6312 -46.6142 -46.6142 -23.3835 -23.3835 -23.3445 -23.3445 -22.7460 -22.7460 -22.7301 -22.7301 -22.7180 -22.7180 -22.6231 -22.6231 1.7945 1.7945 3.2929 3.2929 4.8082 4.8082 5.7912 5.7912 7.0712 7.0712 7.6600 7.6600 8.6584 8.6584 9.1067 9.1067 9.7574 9.7574 10.1970 10.1970 10.2894 10.2894 10.9905 10.9905 11.0147 11.0147 11.5758 11.5758 k = 0.0000 0.0000 0.6677 ( 4144 PWs) bands (ev): -46.6312 -46.6312 -46.6142 -46.6142 -23.3834 -23.3834 -23.3444 -23.3444 -22.7459 -22.7459 -22.7300 -22.7300 -22.7180 -22.7180 -22.6231 -22.6231 1.7213 1.7213 3.3870 3.3870 4.8009 4.8009 5.7252 5.7252 7.1465 7.1465 7.6824 7.6824 8.6703 8.6703 9.0803 9.0803 9.7891 9.7891 10.1597 10.1597 10.2856 10.2856 10.9480 10.9480 10.9766 10.9766 11.6180 11.6180 k = 0.0000 0.0000 0.6475 ( 4140 PWs) bands (ev): -46.6312 -46.6312 -46.6142 -46.6142 -23.3834 -23.3834 -23.3443 -23.3443 -22.7457 -22.7457 -22.7297 -22.7297 -22.7180 -22.7180 -22.6231 -22.6231 1.6451 1.6451 3.4872 3.4872 4.7934 4.7934 5.6562 5.6562 7.2260 7.2260 7.7084 7.7084 8.6843 8.6843 9.0521 9.0521 9.8237 9.8237 10.1183 10.1183 10.2815 10.2815 10.8966 10.8966 10.9463 10.9463 11.6603 11.6603 k = 0.0000 0.0000 0.6273 ( 4144 PWs) bands (ev): -46.6313 -46.6313 -46.6142 -46.6142 -23.3833 -23.3833 -23.3441 -23.3441 -22.7455 -22.7455 -22.7296 -22.7296 -22.7181 -22.7181 -22.6231 -22.6231 1.5674 1.5674 3.5913 3.5913 4.7864 4.7864 5.5856 5.5856 7.3082 7.3082 7.7378 7.7378 8.7003 8.7003 9.0226 9.0226 9.8604 9.8604 10.0738 10.0738 10.2771 10.2771 10.8440 10.8440 10.9168 10.9168 11.7029 11.7029 k = 0.0000 0.0000 0.6070 ( 4142 PWs) bands (ev): -46.6313 -46.6313 -46.6143 -46.6143 -23.3832 -23.3832 -23.3440 -23.3440 -22.7453 -22.7453 -22.7293 -22.7293 -22.7181 -22.7181 -22.6231 -22.6231 1.4893 1.4893 3.6975 3.6975 4.7807 4.7807 5.5144 5.5144 7.3919 7.3919 7.7702 7.7702 8.7184 8.7184 8.9924 8.9924 9.8989 9.8989 10.0270 10.0270 10.2723 10.2723 10.7923 10.7923 10.8867 10.8867 11.7456 11.7456 k = 0.0000 0.0000 0.5868 ( 4118 PWs) bands (ev): -46.6313 -46.6313 -46.6143 -46.6143 -23.3830 -23.3830 -23.3437 -23.3437 -22.7450 -22.7450 -22.7290 -22.7290 -22.7181 -22.7181 -22.6231 -22.6231 1.4116 1.4116 3.8040 3.8040 4.7778 4.7778 5.4432 5.4432 7.4760 7.4760 7.8055 7.8055 8.7386 8.7386 8.9618 8.9618 9.9383 9.9383 9.9792 9.9792 10.2673 10.2673 10.7423 10.7423 10.8557 10.8557 11.7869 11.7869 k = 0.0000 0.0000 0.5666 ( 4120 PWs) bands (ev): -46.6313 -46.6313 -46.6143 -46.6143 -23.3829 -23.3829 -23.3435 -23.3435 -22.7447 -22.7447 -22.7287 -22.7287 -22.7182 -22.7182 -22.6231 -22.6231 1.3347 1.3347 3.9083 3.9083 4.7795 4.7795 5.3727 5.3727 7.5598 7.5598 7.8433 7.8433 8.7606 8.7606 8.9311 8.9311 9.9280 9.9280 9.9815 9.9815 10.2621 10.2621 10.6947 10.6947 10.8235 10.8235 11.8063 11.8063 k = 0.0000 0.0000 0.5463 ( 4118 PWs) bands (ev): -46.6313 -46.6313 -46.6143 -46.6143 -23.3828 -23.3828 -23.3433 -23.3433 -22.7445 -22.7445 -22.7284 -22.7284 -22.7183 -22.7183 -22.6231 -22.6231 1.2592 1.2592 4.0076 4.0076 4.7886 4.7886 5.3030 5.3030 7.6425 7.6425 7.8834 7.8834 8.7846 8.7846 8.9004 8.9004 9.8788 9.8788 10.0232 10.0232 10.2567 10.2567 10.6502 10.6502 10.7899 10.7899 11.8012 11.8012 k = 0.0000 0.0000 0.5261 ( 4112 PWs) bands (ev): -46.6313 -46.6313 -46.6143 -46.6143 -23.3826 -23.3826 -23.3430 -23.3430 -22.7441 -22.7441 -22.7281 -22.7281 -22.7183 -22.7183 -22.6231 -22.6231 1.1853 1.1853 4.0978 4.0978 4.8088 4.8088 5.2347 5.2347 7.7233 7.7233 7.9254 7.9254 8.8105 8.8105 8.8700 8.8700 9.8293 9.8293 10.0662 10.0662 10.2513 10.2513 10.6093 10.6093 10.7547 10.7547 11.7931 11.7931 k = 0.0000 0.0000 0.5059 ( 4114 PWs) bands (ev): -46.6314 -46.6314 -46.6143 -46.6143 -23.3825 -23.3825 -23.3428 -23.3428 -22.7439 -22.7439 -22.7278 -22.7278 -22.7184 -22.7184 -22.6231 -22.6231 1.1133 1.1133 4.1745 4.1745 4.8445 4.8445 5.1679 5.1679 7.8017 7.8017 7.9690 7.9690 8.8372 8.8372 8.8410 8.8410 9.7802 9.7802 10.1099 10.1099 10.2460 10.2460 10.5725 10.5725 10.7177 10.7177 11.7841 11.7841 k = 0.0000 0.0000 0.4856 ( 4114 PWs) bands (ev): -46.6314 -46.6314 -46.6144 -46.6144 -23.3824 -23.3824 -23.3425 -23.3425 -22.7435 -22.7435 -22.7274 -22.7274 -22.7184 -22.7184 -22.6232 -22.6232 1.0433 1.0433 4.2339 4.2339 4.8995 4.8995 5.1028 5.1028 7.8770 7.8770 8.0139 8.0139 8.8105 8.8105 8.8676 8.8676 9.7320 9.7320 10.1541 10.1541 10.2410 10.2410 10.5402 10.5402 10.6790 10.6790 11.7745 11.7745 k = 0.0000 0.0000 0.4654 ( 4118 PWs) bands (ev): -46.6314 -46.6314 -46.6144 -46.6144 -23.3823 -23.3823 -23.3423 -23.3423 -22.7432 -22.7432 -22.7271 -22.7271 -22.7185 -22.7185 -22.6232 -22.6232 0.9756 0.9756 4.2746 4.2746 4.9750 4.9750 5.0396 5.0396 7.9486 7.9486 8.0597 8.0597 8.7817 8.7817 8.8985 8.8985 9.6849 9.6849 10.1986 10.1986 10.2363 10.2363 10.5130 10.5130 10.6383 10.6383 11.7644 11.7644 k = 0.0000 0.0000 0.4452 ( 4118 PWs) bands (ev): -46.6314 -46.6314 -46.6144 -46.6144 -23.3821 -23.3821 -23.3420 -23.3420 -22.7429 -22.7429 -22.7268 -22.7268 -22.7186 -22.7186 -22.6232 -22.6232 0.9102 0.9102 4.2988 4.2988 4.9783 4.9783 5.0689 5.0689 8.0160 8.0160 8.1061 8.1061 8.7536 8.7536 8.9310 8.9310 9.6393 9.6393 10.2305 10.2305 10.2449 10.2449 10.4910 10.4910 10.5956 10.5956 11.7540 11.7540 k = 0.0000 0.0000 0.4249 ( 4116 PWs) bands (ev): -46.6315 -46.6315 -46.6144 -46.6144 -23.3819 -23.3819 -23.3418 -23.3418 -22.7425 -22.7425 -22.7264 -22.7264 -22.7186 -22.7186 -22.6233 -22.6233 0.8472 0.8472 4.3101 4.3101 4.9193 4.9193 5.1774 5.1774 8.0786 8.0786 8.1525 8.1525 8.7263 8.7263 8.9649 8.9649 9.5954 9.5954 10.2275 10.2275 10.2893 10.2893 10.4745 10.4745 10.5509 10.5509 11.7433 11.7433 k = 0.0000 0.0000 0.4047 ( 4125 PWs) bands (ev): -46.6315 -46.6315 -46.6144 -46.6144 -23.3818 -23.3818 -23.3416 -23.3416 -22.7422 -22.7422 -22.7261 -22.7261 -22.7187 -22.7187 -22.6233 -22.6233 0.7868 0.7868 4.3122 4.3122 4.8625 4.8625 5.2967 5.2967 8.1361 8.1361 8.1987 8.1987 8.7000 8.7000 8.9999 8.9999 9.5534 9.5534 10.2246 10.2246 10.3343 10.3343 10.4633 10.4633 10.5048 10.5048 11.7323 11.7323 k = 0.0000 0.0000 0.3845 ( 4131 PWs) bands (ev): -46.6315 -46.6315 -46.6145 -46.6145 -23.3817 -23.3817 -23.3413 -23.3413 -22.7419 -22.7419 -22.7257 -22.7257 -22.7188 -22.7188 -22.6234 -22.6234 0.7290 0.7290 4.3083 4.3083 4.8081 4.8081 5.4238 5.4238 8.1881 8.1881 8.2441 8.2441 8.6745 8.6745 9.0361 9.0361 9.5136 9.5136 10.2225 10.2225 10.3791 10.3791 10.4476 10.4476 10.4669 10.4669 11.7212 11.7212 k = 0.0000 0.0000 0.3642 ( 4129 PWs) bands (ev): -46.6316 -46.6316 -46.6145 -46.6145 -23.3815 -23.3815 -23.3411 -23.3411 -22.7415 -22.7415 -22.7254 -22.7254 -22.7188 -22.7188 -22.6234 -22.6234 0.6739 0.6739 4.3002 4.3002 4.7560 4.7560 5.5566 5.5566 8.2345 8.2345 8.2882 8.2882 8.6501 8.6501 9.0732 9.0732 9.4763 9.4763 10.2215 10.2215 10.3985 10.3985 10.4258 10.4258 10.4639 10.4639 11.7099 11.7099 k = 0.0000 0.0000 0.3440 ( 4131 PWs) bands (ev): -46.6316 -46.6316 -46.6145 -46.6145 -23.3814 -23.3814 -23.3408 -23.3408 -22.7412 -22.7412 -22.7250 -22.7250 -22.7189 -22.7189 -22.6234 -22.6234 0.6215 0.6215 4.2896 4.2896 4.7065 4.7065 5.6935 5.6935 8.2752 8.2752 8.3305 8.3305 8.6267 8.6267 9.1109 9.1109 9.4416 9.4416 10.2217 10.2217 10.3461 10.3461 10.4648 10.4648 10.4747 10.4747 11.6986 11.6986 k = 0.0000 0.0000 0.3238 ( 4131 PWs) bands (ev): -46.6316 -46.6316 -46.6145 -46.6145 -23.3812 -23.3812 -23.3405 -23.3405 -22.7409 -22.7409 -22.7247 -22.7247 -22.7190 -22.7190 -22.6235 -22.6235 0.5719 0.5719 4.2773 4.2773 4.6594 4.6594 5.8334 5.8334 8.3103 8.3103 8.3703 8.3703 8.6044 8.6044 9.1490 9.1490 9.4099 9.4099 10.2234 10.2234 10.2902 10.2902 10.4808 10.4808 10.5148 10.5148 11.6872 11.6872 k = 0.0000 0.0000 0.3035 ( 4131 PWs) bands (ev): -46.6316 -46.6316 -46.6145 -46.6145 -23.3811 -23.3811 -23.3403 -23.3403 -22.7405 -22.7405 -22.7243 -22.7243 -22.7190 -22.7190 -22.6235 -22.6235 0.5251 0.5251 4.2642 4.2642 4.6150 4.6150 5.9755 5.9755 8.3400 8.3400 8.4069 8.4069 8.5833 8.5833 9.1872 9.1872 9.3815 9.3815 10.2224 10.2224 10.2364 10.2364 10.4979 10.4979 10.5579 10.5579 11.6758 11.6758 k = 0.0000 0.0000 0.2833 ( 4131 PWs) bands (ev): -46.6317 -46.6317 -46.6146 -46.6146 -23.3809 -23.3809 -23.3401 -23.3401 -22.7402 -22.7402 -22.7240 -22.7240 -22.7191 -22.7191 -22.6235 -22.6235 0.4811 0.4811 4.2506 4.2506 4.5733 4.5733 6.1190 6.1190 8.3647 8.3647 8.4396 8.4396 8.5634 8.5634 9.2252 9.2252 9.3566 9.3566 10.1691 10.1691 10.2347 10.2347 10.5188 10.5188 10.6005 10.6005 11.6645 11.6645 k = 0.0000 0.0000 0.2631 ( 4133 PWs) bands (ev): -46.6317 -46.6317 -46.6146 -46.6146 -23.3808 -23.3808 -23.3398 -23.3398 -22.7399 -22.7399 -22.7237 -22.7237 -22.7192 -22.7192 -22.6235 -22.6235 0.4401 0.4401 4.2371 4.2371 4.5342 4.5342 6.2635 6.2635 8.3847 8.3847 8.4676 8.4676 8.5447 8.5447 9.2626 9.2626 9.3355 9.3355 10.1064 10.1064 10.2428 10.2428 10.5431 10.5431 10.6420 10.6420 11.6533 11.6533 k = 0.0000 0.0000 0.2428 ( 4139 PWs) bands (ev): -46.6317 -46.6317 -46.6146 -46.6146 -23.3807 -23.3807 -23.3396 -23.3396 -22.7396 -22.7396 -22.7234 -22.7234 -22.7192 -22.7192 -22.6236 -22.6236 0.4020 0.4020 4.2238 4.2238 4.4979 4.4979 6.4083 6.4083 8.4007 8.4007 8.4900 8.4900 8.5273 8.5273 9.2990 9.2990 9.3185 9.3185 10.0417 10.0417 10.2539 10.2539 10.5698 10.5698 10.6823 10.6823 11.6423 11.6423 k = 0.0000 0.0000 0.2226 ( 4139 PWs) bands (ev): -46.6317 -46.6317 -46.6146 -46.6146 -23.3806 -23.3806 -23.3394 -23.3394 -22.7394 -22.7394 -22.7231 -22.7231 -22.7193 -22.7193 -22.6236 -22.6236 0.3669 0.3669 4.2110 4.2110 4.4644 4.4644 6.5530 6.5530 8.4130 8.4130 8.5052 8.5052 8.5118 8.5118 9.3057 9.3057 9.3340 9.3340 9.9757 9.9757 10.2682 10.2682 10.5982 10.5982 10.7210 10.7210 11.6315 11.6315 k = 0.0000 0.0000 0.2023 ( 4147 PWs) bands (ev): -46.6317 -46.6317 -46.6146 -46.6146 -23.3805 -23.3805 -23.3393 -23.3393 -22.7392 -22.7392 -22.7228 -22.7228 -22.7194 -22.7194 -22.6236 -22.6236 0.3347 0.3347 4.1989 4.1989 4.4336 4.4336 6.6970 6.6970 8.4223 8.4223 8.4960 8.4960 8.5149 8.5149 9.2972 9.2972 9.3672 9.3672 9.9090 9.9090 10.2858 10.2858 10.6274 10.6274 10.7579 10.7579 11.6210 11.6210 k = 0.0000 0.0000 0.1821 ( 4131 PWs) bands (ev): -46.6318 -46.6318 -46.6146 -46.6146 -23.3804 -23.3804 -23.3390 -23.3390 -22.7389 -22.7389 -22.7225 -22.7225 -22.7194 -22.7194 -22.6236 -22.6236 0.3056 0.3056 4.1876 4.1876 4.4058 4.4058 6.8398 6.8398 8.4290 8.4290 8.4826 8.4826 8.5153 8.5153 9.2928 9.2928 9.3982 9.3982 9.8424 9.8424 10.3070 10.3070 10.6567 10.6567 10.7927 10.7927 11.5849 11.5849 k = 0.0000 0.0000 0.1619 ( 4139 PWs) bands (ev): -46.6318 -46.6318 -46.6147 -46.6147 -23.3803 -23.3803 -23.3389 -23.3389 -22.7387 -22.7387 -22.7223 -22.7223 -22.7194 -22.7194 -22.6236 -22.6236 0.2794 0.2794 4.1772 4.1772 4.3807 4.3807 6.9807 6.9807 8.4337 8.4337 8.4705 8.4705 8.5072 8.5072 9.2921 9.2921 9.4265 9.4265 9.7768 9.7768 10.3318 10.3318 10.6852 10.6852 10.8251 10.8251 11.4968 11.4968 k = 0.0000 0.0000 0.1416 ( 4143 PWs) bands (ev): -46.6318 -46.6318 -46.6147 -46.6147 -23.3802 -23.3802 -23.3387 -23.3387 -22.7385 -22.7385 -22.7221 -22.7221 -22.7195 -22.7195 -22.6236 -22.6236 0.2563 0.2563 4.1679 4.1679 4.3586 4.3586 7.1190 7.1190 8.4368 8.4368 8.4598 8.4598 8.4897 8.4897 9.2948 9.2948 9.4520 9.4520 9.7134 9.7134 10.3601 10.3601 10.7122 10.7122 10.8547 10.8547 11.4119 11.4119 k = 0.0000 0.0000 0.1214 ( 4153 PWs) bands (ev): -46.6318 -46.6318 -46.6147 -46.6147 -23.3802 -23.3802 -23.3386 -23.3386 -22.7384 -22.7384 -22.7220 -22.7220 -22.7196 -22.7196 -22.6236 -22.6236 0.2363 0.2363 4.1596 4.1596 4.3394 4.3394 7.2537 7.2537 8.4386 8.4386 8.4505 8.4505 8.4628 8.4628 9.3002 9.3002 9.4742 9.4742 9.6536 9.6536 10.3917 10.3917 10.7371 10.7371 10.8812 10.8812 11.3310 11.3310 k = 0.0000 0.0000 0.1012 ( 4147 PWs) bands (ev): -46.6318 -46.6318 -46.6147 -46.6147 -23.3802 -23.3802 -23.3385 -23.3385 -22.7382 -22.7382 -22.7218 -22.7218 -22.7196 -22.7196 -22.6236 -22.6236 0.2193 0.2193 4.1526 4.1526 4.3231 4.3231 7.3838 7.3838 8.4262 8.4262 8.4391 8.4391 8.4432 8.4432 9.3076 9.3076 9.4930 9.4930 9.5985 9.5985 10.4257 10.4257 10.7593 10.7593 10.9043 10.9043 11.2552 11.2552 k = 0.0000 0.0000 0.0809 ( 4151 PWs) bands (ev): -46.6318 -46.6318 -46.6147 -46.6147 -23.3801 -23.3801 -23.3384 -23.3384 -22.7381 -22.7381 -22.7217 -22.7217 -22.7196 -22.7196 -22.6236 -22.6236 0.2054 0.2054 4.1467 4.1467 4.3097 4.3097 7.5075 7.5075 8.3807 8.3807 8.4354 8.4354 8.4409 8.4409 9.3165 9.3165 9.5084 9.5084 9.5498 9.5498 10.4609 10.4609 10.7781 10.7781 10.9237 10.9237 11.1858 11.1858 k = 0.0000 0.0000 0.0607 ( 4147 PWs) bands (ev): -46.6318 -46.6318 -46.6147 -46.6147 -23.3801 -23.3801 -23.3383 -23.3383 -22.7380 -22.7380 -22.7215 -22.7215 -22.7197 -22.7197 -22.6236 -22.6236 0.1946 0.1946 4.1421 4.1421 4.2993 4.2993 7.6220 7.6220 8.3279 8.3279 8.4305 8.4305 8.4408 8.4408 9.3263 9.3263 9.5075 9.5075 9.5211 9.5211 10.4952 10.4952 10.7933 10.7933 10.9391 10.9391 11.1250 11.1250 k = 0.0000 0.0000 0.0405 ( 4147 PWs) bands (ev): -46.6318 -46.6318 -46.6147 -46.6147 -23.3801 -23.3801 -23.3383 -23.3383 -22.7380 -22.7380 -22.7215 -22.7215 -22.7197 -22.7197 -22.6236 -22.6236 0.1868 0.1868 4.1388 4.1388 4.2919 4.2919 7.7224 7.7224 8.2721 8.2721 8.4270 8.4270 8.4407 8.4407 9.3361 9.3361 9.4751 9.4751 9.5292 9.5292 10.5254 10.5254 10.8043 10.8043 10.9502 10.9502 11.0760 11.0760 k = 0.0000 0.0000 0.0202 ( 4151 PWs) bands (ev): -46.6318 -46.6318 -46.6147 -46.6147 -23.3801 -23.3801 -23.3382 -23.3382 -22.7380 -22.7380 -22.7214 -22.7214 -22.7197 -22.7197 -22.6236 -22.6236 0.1822 0.1822 4.1369 4.1369 4.2875 4.2875 7.7978 7.7978 8.2237 8.2237 8.4248 8.4248 8.4406 8.4406 9.3444 9.3444 9.4530 9.4530 9.5343 9.5343 10.5468 10.5468 10.8110 10.8110 10.9568 10.9568 11.0435 11.0435 k = 0.0000 0.0000 0.0000 ( 4151 PWs) bands (ev): -46.6318 -46.6318 -46.6147 -46.6147 -23.3801 -23.3801 -23.3382 -23.3382 -22.7380 -22.7380 -22.7214 -22.7214 -22.7197 -22.7197 -22.6236 -22.6236 0.1806 0.1806 4.1362 4.1362 4.2860 4.2860 7.8277 7.8277 8.2028 8.2028 8.4241 8.4241 8.4405 8.4405 9.3478 9.3478 9.4449 9.4449 9.5360 9.5360 10.5547 10.5547 10.8132 10.8132 10.9590 10.9590 11.0319 11.0319 k = 0.0000 0.0000 0.0000 ( 4151 PWs) bands (ev): -46.6318 -46.6318 -46.6147 -46.6147 -23.3801 -23.3801 -23.3382 -23.3382 -22.7380 -22.7380 -22.7214 -22.7214 -22.7197 -22.7197 -22.6236 -22.6236 0.1806 0.1806 4.1362 4.1362 4.2860 4.2860 7.8277 7.8277 8.2028 8.2028 8.4241 8.4241 8.4405 8.4405 9.3478 9.3478 9.4449 9.4449 9.5360 9.5360 10.5547 10.5547 10.8132 10.8132 10.9590 10.9590 11.0319 11.0319 k =-0.0192 0.0063 0.0000 ( 4151 PWs) bands (ev): -46.6318 -46.6318 -46.6147 -46.6147 -23.3801 -23.3801 -23.3382 -23.3382 -22.7380 -22.7380 -22.7214 -22.7214 -22.7196 -22.7196 -22.6236 -22.6236 0.1821 0.1821 4.0569 4.0569 4.3667 4.3667 7.8275 7.8275 8.2024 8.2024 8.4236 8.4236 8.4405 8.4405 9.3479 9.3479 9.4446 9.4446 9.5359 9.5359 10.5537 10.5537 10.8150 10.8150 10.9602 10.9602 11.0330 11.0330 k =-0.0385 0.0126 0.0000 ( 4145 PWs) bands (ev): -46.6318 -46.6318 -46.6148 -46.6148 -23.3800 -23.3800 -23.3382 -23.3382 -22.7379 -22.7379 -22.7216 -22.7216 -22.7192 -22.7192 -22.6238 -22.6238 0.1865 0.1865 3.9329 3.9329 4.4953 4.4953 7.8267 7.8267 8.2012 8.2012 8.4223 8.4223 8.4406 8.4406 9.3482 9.3482 9.4435 9.4435 9.5355 9.5355 10.5507 10.5507 10.8204 10.8204 10.9637 10.9637 11.0363 11.0363 k =-0.0577 0.0189 0.0000 ( 4149 PWs) bands (ev): -46.6318 -46.6318 -46.6148 -46.6148 -23.3799 -23.3799 -23.3383 -23.3383 -22.7379 -22.7379 -22.7219 -22.7219 -22.7188 -22.7188 -22.6240 -22.6240 0.1937 0.1937 3.8048 3.8048 4.6311 4.6311 7.8253 7.8253 8.1992 8.1992 8.4200 8.4200 8.4409 8.4409 9.3485 9.3485 9.4413 9.4413 9.5350 9.5350 10.5459 10.5459 10.8292 10.8292 10.9693 10.9693 11.0418 11.0418 k =-0.0769 0.0252 0.0000 ( 4157 PWs) bands (ev): -46.6318 -46.6318 -46.6148 -46.6148 -23.3797 -23.3797 -23.3385 -23.3385 -22.7378 -22.7378 -22.7222 -22.7222 -22.7184 -22.7184 -22.6245 -22.6245 0.2039 0.2039 3.6769 3.6769 4.7696 4.7696 7.8233 7.8233 8.1965 8.1965 8.4169 8.4169 8.4418 8.4418 9.3491 9.3491 9.4374 9.4374 9.5342 9.5342 10.5394 10.5394 10.8415 10.8415 10.9769 10.9769 11.0494 11.0494 k =-0.0962 0.0315 0.0000 ( 4155 PWs) bands (ev): -46.6317 -46.6317 -46.6149 -46.6149 -23.3795 -23.3795 -23.3386 -23.3386 -22.7377 -22.7377 -22.7224 -22.7224 -22.7178 -22.7178 -22.6249 -22.6249 0.2170 0.2170 3.5502 3.5502 4.9097 4.9097 7.8205 7.8205 8.1931 8.1931 8.4131 8.4131 8.4435 8.4435 9.3498 9.3498 9.4313 9.4313 9.5332 9.5332 10.5315 10.5315 10.8571 10.8571 10.9862 10.9862 11.0589 11.0589 k =-0.1154 0.0378 0.0000 ( 4158 PWs) bands (ev): -46.6317 -46.6317 -46.6149 -46.6149 -23.3794 -23.3794 -23.3388 -23.3388 -22.7377 -22.7377 -22.7226 -22.7226 -22.7172 -22.7172 -22.6255 -22.6255 0.2328 0.2328 3.4253 3.4253 5.0510 5.0510 7.8169 7.8169 8.1891 8.1891 8.4085 8.4085 8.4464 8.4464 9.3507 9.3507 9.4221 9.4221 9.5319 9.5319 10.5225 10.5225 10.8759 10.8759 10.9968 10.9968 11.0704 11.0704 k =-0.1346 0.0441 0.0000 ( 4166 PWs) bands (ev): -46.6316 -46.6316 -46.6150 -46.6150 -23.3791 -23.3791 -23.3390 -23.3390 -22.7376 -22.7376 -22.7228 -22.7228 -22.7166 -22.7166 -22.6261 -22.6261 0.2516 0.2516 3.3024 3.3024 5.1932 5.1932 7.8123 7.8123 8.1845 8.1845 8.4032 8.4032 8.4510 8.4510 9.3517 9.3517 9.4091 9.4091 9.5305 9.5305 10.5127 10.5127 10.8977 10.8977 11.0086 11.0086 11.0836 11.0836 k =-0.1538 0.0504 0.0000 ( 4164 PWs) bands (ev): -46.6315 -46.6315 -46.6150 -46.6150 -23.3788 -23.3788 -23.3393 -23.3393 -22.7375 -22.7375 -22.7229 -22.7229 -22.7159 -22.7159 -22.6269 -22.6269 0.2731 0.2731 3.1816 3.1816 5.3359 5.3359 7.8068 7.8068 8.1794 8.1794 8.3974 8.3974 8.4574 8.4574 9.3528 9.3528 9.3914 9.3914 9.5289 9.5289 10.5022 10.5022 10.9222 10.9222 11.0211 11.0211 11.0984 11.0984 k =-0.1731 0.0567 0.0000 ( 4154 PWs) bands (ev): -46.6315 -46.6315 -46.6151 -46.6151 -23.3785 -23.3785 -23.3395 -23.3395 -22.7374 -22.7374 -22.7229 -22.7229 -22.7152 -22.7152 -22.6276 -22.6276 0.2973 0.2973 3.0631 3.0631 5.4790 5.4790 7.8003 7.8003 8.1740 8.1740 8.3912 8.3912 8.4659 8.4659 9.3542 9.3542 9.3684 9.3684 9.5270 9.5270 10.4914 10.4914 10.9494 10.9494 11.0343 11.0343 11.1146 11.1146 k =-0.1923 0.0630 0.0000 ( 4150 PWs) bands (ev): -46.6314 -46.6314 -46.6152 -46.6152 -23.3781 -23.3781 -23.3397 -23.3397 -22.7373 -22.7373 -22.7230 -22.7230 -22.7144 -22.7144 -22.6285 -22.6285 0.3242 0.3242 2.9470 2.9470 5.6222 5.6222 7.7930 7.7930 8.1682 8.1682 8.3846 8.3846 8.4766 8.4766 9.3394 9.3394 9.3557 9.3557 9.5250 9.5250 10.4804 10.4804 10.9789 10.9789 11.0478 11.0478 11.1319 11.1319 k =-0.2115 0.0692 0.0000 ( 4144 PWs) bands (ev): -46.6313 -46.6313 -46.6153 -46.6153 -23.3777 -23.3777 -23.3400 -23.3400 -22.7372 -22.7372 -22.7230 -22.7230 -22.7136 -22.7136 -22.6294 -22.6294 0.3536 0.3536 2.8335 2.8335 5.7652 5.7652 7.7851 7.7851 8.1622 8.1622 8.3778 8.3778 8.4895 8.4895 9.3044 9.3044 9.3572 9.3572 9.5229 9.5229 10.4695 10.4695 11.0103 11.0103 11.0614 11.0614 11.1502 11.1502 k =-0.2308 0.0755 0.0000 ( 4132 PWs) bands (ev): -46.6312 -46.6312 -46.6154 -46.6154 -23.3773 -23.3773 -23.3402 -23.3402 -22.7371 -22.7371 -22.7229 -22.7229 -22.7128 -22.7128 -22.6303 -22.6303 0.3856 0.3856 2.7227 2.7227 5.9077 5.9077 7.7767 7.7767 8.1560 8.1560 8.3709 8.3709 8.5043 8.5043 9.2630 9.2630 9.3589 9.3589 9.5207 9.5207 10.4587 10.4587 11.0434 11.0434 11.0752 11.0752 11.1693 11.1693 k =-0.2500 0.0818 0.0000 ( 4128 PWs) bands (ev): -46.6311 -46.6311 -46.6155 -46.6155 -23.3769 -23.3769 -23.3405 -23.3405 -22.7371 -22.7371 -22.7228 -22.7228 -22.7120 -22.7120 -22.6313 -22.6313 0.4200 0.4200 2.6148 2.6148 6.0493 6.0493 7.7682 7.7682 8.1499 8.1499 8.3640 8.3640 8.5206 8.5206 9.2157 9.2157 9.3607 9.3607 9.5183 9.5183 10.4481 10.4481 11.0769 11.0769 11.0897 11.0897 11.1888 11.1888 k =-0.2692 0.0881 0.0000 ( 4124 PWs) bands (ev): -46.6310 -46.6310 -46.6155 -46.6155 -23.3765 -23.3765 -23.3408 -23.3408 -22.7371 -22.7371 -22.7228 -22.7228 -22.7112 -22.7112 -22.6323 -22.6323 0.4566 0.4566 2.5099 2.5099 6.1896 6.1896 7.7598 7.7598 8.1437 8.1437 8.3571 8.3571 8.5378 8.5378 9.1627 9.1627 9.3625 9.3625 9.5160 9.5160 10.4380 10.4380 11.0991 11.0991 11.1161 11.1161 11.2085 11.2085 k =-0.2885 0.0944 0.0000 ( 4128 PWs) bands (ev): -46.6309 -46.6309 -46.6156 -46.6156 -23.3762 -23.3762 -23.3411 -23.3411 -22.7371 -22.7371 -22.7227 -22.7227 -22.7104 -22.7104 -22.6333 -22.6333 0.4952 0.4952 2.4084 2.4084 6.3282 6.3282 7.7521 7.7521 8.1378 8.1378 8.3504 8.3504 8.5551 8.5551 9.1051 9.1051 9.3643 9.3643 9.5136 9.5136 10.4284 10.4284 11.1122 11.1122 11.1516 11.1516 11.2281 11.2281 k =-0.3077 0.1007 0.0000 ( 4142 PWs) bands (ev): -46.6308 -46.6308 -46.6157 -46.6157 -23.3759 -23.3759 -23.3415 -23.3415 -22.7371 -22.7371 -22.7226 -22.7226 -22.7097 -22.7097 -22.6343 -22.6343 0.5356 0.5356 2.3105 2.3105 6.4643 6.4643 7.7455 7.7455 8.1320 8.1320 8.3440 8.3440 8.5709 8.5709 9.0442 9.0442 9.3662 9.3662 9.5113 9.5113 10.4194 10.4194 11.1240 11.1240 11.1878 11.1878 11.2476 11.2476 k =-0.3269 0.1070 0.0000 ( 4124 PWs) bands (ev): -46.6307 -46.6307 -46.6158 -46.6158 -23.3755 -23.3755 -23.3417 -23.3417 -22.7371 -22.7371 -22.7224 -22.7224 -22.7088 -22.7088 -22.6352 -22.6352 0.5774 0.5774 2.2165 2.2165 6.5973 6.5973 7.7406 7.7406 8.1265 8.1265 8.3379 8.3379 8.5828 8.5828 8.9824 8.9824 9.3680 9.3680 9.5090 9.5090 10.4111 10.4111 11.1349 11.1349 11.2233 11.2233 11.2669 11.2669 k =-0.3462 0.1133 0.0000 ( 4130 PWs) bands (ev): -46.6306 -46.6306 -46.6159 -46.6159 -23.3751 -23.3751 -23.3420 -23.3420 -22.7371 -22.7371 -22.7223 -22.7223 -22.7081 -22.7081 -22.6362 -22.6362 0.6203 0.6203 2.1269 2.1269 6.7261 6.7261 7.7383 7.7383 8.1214 8.1214 8.3322 8.3322 8.5868 8.5868 8.9238 8.9238 9.3697 9.3697 9.5068 9.5068 10.4035 10.4035 11.1449 11.1449 11.2567 11.2567 11.2865 11.2865 k =-0.3654 0.1196 0.0000 ( 4134 PWs) bands (ev): -46.6306 -46.6306 -46.6160 -46.6160 -23.3748 -23.3748 -23.3422 -23.3422 -22.7371 -22.7371 -22.7222 -22.7222 -22.7074 -22.7074 -22.6371 -22.6371 0.6636 0.6636 2.0423 2.0423 6.8493 6.8493 7.7394 7.7394 8.1168 8.1168 8.3271 8.3271 8.5765 8.5765 8.8749 8.8749 9.3713 9.3713 9.5049 9.5049 10.3966 10.3966 11.1539 11.1539 11.2847 11.2847 11.3088 11.3088 k =-0.3846 0.1259 0.0000 ( 4136 PWs) bands (ev): -46.6305 -46.6305 -46.6161 -46.6161 -23.3745 -23.3745 -23.3425 -23.3425 -22.7371 -22.7371 -22.7222 -22.7222 -22.7067 -22.7067 -22.6380 -22.6380 0.7066 0.7066 1.9635 1.9635 6.9649 6.9649 7.7456 7.7456 8.1127 8.1127 8.3225 8.3225 8.5451 8.5451 8.8424 8.8424 9.3728 9.3728 9.5030 9.5030 10.3906 10.3906 11.1618 11.1618 11.3047 11.3047 11.3354 11.3354 k =-0.4038 0.1322 0.0000 ( 4134 PWs) bands (ev): -46.6304 -46.6304 -46.6161 -46.6161 -23.3743 -23.3743 -23.3427 -23.3427 -22.7371 -22.7371 -22.7221 -22.7221 -22.7061 -22.7061 -22.6387 -22.6387 0.7482 0.7482 1.8916 1.8916 7.0702 7.0702 7.7588 7.7588 8.1090 8.1090 8.3185 8.3185 8.4919 8.4919 8.8275 8.8275 9.3741 9.3741 9.5014 9.5014 10.3855 10.3855 11.1686 11.1686 11.3194 11.3194 11.3625 11.3625 k =-0.4231 0.1385 0.0000 ( 4130 PWs) bands (ev): -46.6304 -46.6304 -46.6162 -46.6162 -23.3740 -23.3740 -23.3429 -23.3429 -22.7372 -22.7372 -22.7220 -22.7220 -22.7056 -22.7056 -22.6393 -22.6393 0.7869 0.7869 1.8281 1.8281 7.1617 7.1617 7.7812 7.7812 8.1060 8.1060 8.3152 8.3152 8.4231 8.4231 8.8246 8.8246 9.3752 9.3752 9.5001 9.5001 10.3812 10.3812 11.1743 11.1743 11.3310 11.3310 11.3872 11.3872 k =-0.4423 0.1448 0.0000 ( 4134 PWs) bands (ev): -46.6303 -46.6303 -46.6162 -46.6162 -23.3739 -23.3739 -23.3430 -23.3430 -22.7372 -22.7372 -22.7219 -22.7219 -22.7052 -22.7052 -22.6398 -22.6398 0.8208 0.8208 1.7748 1.7748 7.2354 7.2354 7.8146 7.8146 8.1037 8.1037 8.3125 8.3125 8.3469 8.3469 8.8272 8.8272 9.3761 9.3761 9.4990 9.4990 10.3779 10.3779 11.1788 11.1788 11.3399 11.3399 11.4078 11.4078 k =-0.4615 0.1511 0.0000 ( 4136 PWs) bands (ev): -46.6303 -46.6303 -46.6163 -46.6163 -23.3737 -23.3737 -23.3432 -23.3432 -22.7372 -22.7372 -22.7219 -22.7219 -22.7049 -22.7049 -22.6402 -22.6402 0.8477 0.8477 1.7341 1.7341 7.2884 7.2884 7.8578 7.8578 8.1019 8.1019 8.2708 8.2708 8.3107 8.3107 8.8313 8.8313 9.3767 9.3767 9.4982 9.4982 10.3755 10.3755 11.1820 11.1820 11.3463 11.3463 11.4232 11.4232 k =-0.4808 0.1574 0.0000 ( 4138 PWs) bands (ev): -46.6303 -46.6303 -46.6163 -46.6163 -23.3737 -23.3737 -23.3432 -23.3432 -22.7372 -22.7372 -22.7219 -22.7219 -22.7047 -22.7047 -22.6404 -22.6404 0.8652 0.8652 1.7083 1.7083 7.3197 7.3197 7.9018 7.9018 8.1009 8.1009 8.2069 8.2069 8.3095 8.3095 8.8345 8.8345 9.3771 9.3771 9.4978 9.4978 10.3741 10.3741 11.1839 11.1839 11.3502 11.3502 11.4328 11.4328 k =-0.5000 0.1637 0.0000 ( 4142 PWs) bands (ev): -46.6303 -46.6303 -46.6163 -46.6163 -23.3736 -23.3736 -23.3433 -23.3433 -22.7373 -22.7373 -22.7219 -22.7219 -22.7047 -22.7047 -22.6405 -22.6405 0.8713 0.8713 1.6995 1.6995 7.3300 7.3300 7.9233 7.9233 8.1005 8.1005 8.1790 8.1790 8.3091 8.3091 8.8357 8.8357 9.3772 9.3772 9.4976 9.4976 10.3736 10.3736 11.1845 11.1845 11.3514 11.3514 11.4360 11.4360 k =-0.5000 0.1637 0.0000 ( 4142 PWs) bands (ev): -46.6303 -46.6303 -46.6163 -46.6163 -23.3736 -23.3736 -23.3433 -23.3433 -22.7373 -22.7373 -22.7219 -22.7219 -22.7047 -22.7047 -22.6405 -22.6405 0.8713 0.8713 1.6995 1.6995 7.3300 7.3300 7.9233 7.9233 8.1005 8.1005 8.1790 8.1790 8.3091 8.3091 8.8357 8.8357 9.3772 9.3772 9.4976 9.4976 10.3736 10.3736 11.1845 11.1845 11.3514 11.3514 11.4360 11.4360 k =-0.4938 0.1826-0.0000 ( 4134 PWs) bands (ev): -46.6303 -46.6303 -46.6163 -46.6163 -23.3736 -23.3736 -23.3433 -23.3433 -22.7373 -22.7373 -22.7220 -22.7220 -22.7045 -22.7045 -22.6405 -22.6405 0.8727 0.8727 1.7010 1.7010 7.3238 7.3238 7.9121 7.9121 8.1009 8.1009 8.1792 8.1792 8.3201 8.3201 8.8360 8.8360 9.3766 9.3766 9.4963 9.4963 10.3725 10.3725 11.1738 11.1738 11.3502 11.3502 11.4491 11.4491 k =-0.4876 0.2016-0.0000 ( 4134 PWs) bands (ev): -46.6303 -46.6303 -46.6163 -46.6163 -23.3736 -23.3736 -23.3433 -23.3433 -22.7373 -22.7373 -22.7222 -22.7222 -22.7042 -22.7042 -22.6405 -22.6405 0.8769 0.8769 1.7055 1.7055 7.3045 7.3045 7.8837 7.8837 8.1021 8.1021 8.1799 8.1799 8.3484 8.3484 8.8370 8.8370 9.3748 9.3748 9.4927 9.4927 10.3693 10.3693 11.1469 11.1469 11.3457 11.3457 11.4838 11.4838 k =-0.4814 0.2205-0.0000 ( 4130 PWs) bands (ev): -46.6302 -46.6302 -46.6163 -46.6163 -23.3736 -23.3736 -23.3434 -23.3434 -22.7374 -22.7374 -22.7226 -22.7226 -22.7037 -22.7037 -22.6406 -22.6406 0.8839 0.8839 1.7131 1.7131 7.2706 7.2706 7.8480 7.8480 8.1040 8.1040 8.1810 8.1810 8.3855 8.3855 8.8385 8.8385 9.3717 9.3717 9.4872 9.4872 10.3640 10.3640 11.1122 11.1122 11.3378 11.3378 11.5320 11.5320 k =-0.4752 0.2394-0.0000 ( 4120 PWs) bands (ev): -46.6302 -46.6302 -46.6163 -46.6163 -23.3735 -23.3735 -23.3435 -23.3435 -22.7375 -22.7375 -22.7232 -22.7232 -22.7030 -22.7030 -22.6408 -22.6408 0.8937 0.8937 1.7237 1.7237 7.2206 7.2206 7.8138 7.8138 8.1067 8.1067 8.1823 8.1823 8.4242 8.4242 8.8407 8.8407 9.3674 9.3674 9.4808 9.4808 10.3567 10.3567 11.0750 11.0750 11.3264 11.3264 11.5884 11.5884 k =-0.4690 0.2584-0.0000 ( 4112 PWs) bands (ev): -46.6301 -46.6301 -46.6164 -46.6164 -23.3735 -23.3735 -23.3437 -23.3437 -22.7376 -22.7376 -22.7238 -22.7238 -22.7022 -22.7022 -22.6409 -22.6409 0.9063 0.9063 1.7374 1.7374 7.1539 7.1539 7.7859 7.7859 8.1102 8.1102 8.1839 8.1839 8.4597 8.4597 8.8435 8.8435 9.3620 9.3620 9.4745 9.4745 10.3474 10.3474 11.0380 11.0380 11.3118 11.3118 11.6503 11.6503 k =-0.4628 0.2773-0.0000 ( 4110 PWs) bands (ev): -46.6300 -46.6300 -46.6164 -46.6164 -23.3734 -23.3734 -23.3439 -23.3439 -22.7378 -22.7378 -22.7245 -22.7245 -22.7013 -22.7013 -22.6412 -22.6412 0.9217 0.9217 1.7540 1.7540 7.0714 7.0714 7.7663 7.7663 8.1144 8.1144 8.1856 8.1856 8.4890 8.4890 8.8467 8.8467 9.3553 9.3553 9.4698 9.4698 10.3363 10.3363 11.0025 11.0025 11.2943 11.2943 11.7163 11.7163 k =-0.4566 0.2963-0.0000 ( 4116 PWs) bands (ev): -46.6299 -46.6299 -46.6165 -46.6165 -23.3734 -23.3734 -23.3442 -23.3442 -22.7381 -22.7381 -22.7254 -22.7254 -22.7003 -22.7003 -22.6415 -22.6415 0.9399 0.9399 1.7736 1.7736 6.9752 6.9752 7.7548 7.7548 8.1192 8.1192 8.1872 8.1872 8.5097 8.5097 8.8505 8.8505 9.3475 9.3475 9.4682 9.4682 10.3234 10.3234 10.9691 10.9691 11.2739 11.2739 11.7855 11.7855 k =-0.4504 0.3152-0.0000 ( 4116 PWs) bands (ev): -46.6298 -46.6298 -46.6166 -46.6166 -23.3733 -23.3733 -23.3445 -23.3445 -22.7384 -22.7384 -22.7262 -22.7262 -22.6993 -22.6993 -22.6418 -22.6418 0.9609 0.9609 1.7963 1.7963 6.8679 6.8679 7.7502 7.7502 8.1248 8.1248 8.1885 8.1885 8.5203 8.5203 8.8546 8.8546 9.3385 9.3385 9.4711 9.4711 10.3089 10.3089 10.9383 10.9383 11.2510 11.2510 11.8576 11.8576 k =-0.4442 0.3341-0.0000 ( 4120 PWs) bands (ev): -46.6297 -46.6297 -46.6167 -46.6167 -23.3732 -23.3732 -23.3449 -23.3449 -22.7387 -22.7387 -22.7271 -22.7271 -22.6982 -22.6982 -22.6422 -22.6422 0.9846 0.9846 1.8220 1.8220 6.7517 6.7517 7.7511 7.7511 8.1309 8.1309 8.1892 8.1892 8.5198 8.5198 8.8592 8.8592 9.3284 9.3284 9.4798 9.4798 10.2929 10.2929 10.9103 10.9103 11.2258 11.2258 11.9323 11.9323 k =-0.4380 0.3531-0.0000 ( 4120 PWs) bands (ev): -46.6296 -46.6296 -46.6167 -46.6167 -23.3731 -23.3731 -23.3452 -23.3452 -22.7390 -22.7390 -22.7279 -22.7279 -22.6970 -22.6970 -22.6426 -22.6426 1.0111 1.0111 1.8506 1.8506 6.6287 6.6287 7.7564 7.7564 8.1377 8.1377 8.1892 8.1892 8.5078 8.5078 8.8639 8.8639 9.3174 9.3174 9.4950 9.4950 10.2755 10.2755 10.8853 10.8853 11.1986 11.1986 12.0032 12.0032 k =-0.4318 0.3720-0.0000 ( 4112 PWs) bands (ev): -46.6294 -46.6294 -46.6168 -46.6168 -23.3730 -23.3730 -23.3457 -23.3457 -22.7394 -22.7394 -22.7288 -22.7288 -22.6958 -22.6958 -22.6431 -22.6431 1.0404 1.0404 1.8822 1.8822 6.5003 6.5003 7.7652 7.7652 8.1450 8.1450 8.1880 8.1880 8.4846 8.4846 8.8689 8.8689 9.3053 9.3053 9.5169 9.5169 10.2569 10.2569 10.8633 10.8633 11.1699 11.1699 12.0059 12.0059 k =-0.4256 0.3910-0.0000 ( 4130 PWs) bands (ev): -46.6293 -46.6293 -46.6170 -46.6170 -23.3729 -23.3729 -23.3462 -23.3462 -22.7398 -22.7398 -22.7297 -22.7297 -22.6946 -22.6946 -22.6437 -22.6437 1.0724 1.0724 1.9167 1.9167 6.3677 6.3677 7.7768 7.7768 8.1529 8.1529 8.1854 8.1854 8.4511 8.4511 8.8740 8.8740 9.2924 9.2924 9.5454 9.5454 10.2373 10.2373 10.8443 10.8443 11.1401 11.1401 12.0079 12.0079 k =-0.4194 0.4099-0.0000 ( 4134 PWs) bands (ev): -46.6291 -46.6291 -46.6171 -46.6171 -23.3727 -23.3727 -23.3467 -23.3467 -22.7402 -22.7402 -22.7306 -22.7306 -22.6934 -22.6934 -22.6442 -22.6442 1.1071 1.1071 1.9542 1.9542 6.2319 6.2319 7.7905 7.7905 8.1612 8.1612 8.1808 8.1808 8.4084 8.4084 8.8791 8.8791 9.2788 9.2788 9.5799 9.5799 10.2167 10.2167 10.8284 10.8284 11.1097 11.1097 12.0095 12.0095 k =-0.4132 0.4288-0.0000 ( 4134 PWs) bands (ev): -46.6290 -46.6290 -46.6172 -46.6172 -23.3726 -23.3726 -23.3472 -23.3472 -22.7407 -22.7407 -22.7315 -22.7315 -22.6921 -22.6921 -22.6448 -22.6448 1.1445 1.1445 1.9947 1.9947 6.0937 6.0937 7.8057 7.8057 8.1699 8.1699 8.1740 8.1740 8.3580 8.3580 8.8842 8.8842 9.2644 9.2644 9.6199 9.6199 10.1953 10.1953 10.8154 10.8154 11.0793 11.0793 12.0106 12.0106 k =-0.4070 0.4478-0.0000 ( 4142 PWs) bands (ev): -46.6288 -46.6288 -46.6173 -46.6173 -23.3725 -23.3725 -23.3478 -23.3478 -22.7412 -22.7412 -22.7323 -22.7323 -22.6909 -22.6909 -22.6455 -22.6455 1.1847 1.1847 2.0380 2.0380 5.9536 5.9536 7.8216 7.8216 8.1643 8.1643 8.1790 8.1790 8.3015 8.3015 8.8892 8.8892 9.2495 9.2495 9.6647 9.6647 10.1732 10.1732 10.8053 10.8053 11.0498 11.0498 12.0111 12.0111 k =-0.4008 0.4667-0.0000 ( 4136 PWs) bands (ev): -46.6286 -46.6286 -46.6175 -46.6175 -23.3723 -23.3723 -23.3484 -23.3484 -22.7417 -22.7417 -22.7331 -22.7331 -22.6895 -22.6895 -22.6461 -22.6461 1.2275 1.2275 2.0843 2.0843 5.8122 5.8122 7.8370 7.8370 8.1514 8.1514 8.1884 8.1884 8.2411 8.2411 8.8941 8.8941 9.2342 9.2342 9.7138 9.7138 10.1505 10.1505 10.7980 10.7980 11.0217 11.0217 12.0112 12.0112 k =-0.3946 0.4857-0.0000 ( 4134 PWs) bands (ev): -46.6284 -46.6284 -46.6176 -46.6176 -23.3721 -23.3721 -23.3490 -23.3490 -22.7422 -22.7422 -22.7338 -22.7338 -22.6882 -22.6882 -22.6468 -22.6468 1.2730 1.2730 2.1334 2.1334 5.6700 5.6700 7.8496 7.8496 8.1346 8.1346 8.1792 8.1792 8.1985 8.1985 8.8989 8.8989 9.2187 9.2187 9.7665 9.7665 10.1273 10.1273 10.7934 10.7934 10.9959 10.9959 12.0108 12.0108 k =-0.3884 0.5046-0.0000 ( 4122 PWs) bands (ev): -46.6282 -46.6282 -46.6178 -46.6178 -23.3718 -23.3718 -23.3496 -23.3496 -22.7426 -22.7426 -22.7346 -22.7346 -22.6869 -22.6869 -22.6475 -22.6475 1.3211 1.3211 2.1853 2.1853 5.5272 5.5272 7.8549 7.8549 8.1131 8.1131 8.1226 8.1226 8.2082 8.2082 8.9037 8.9037 9.2030 9.2030 9.8226 9.8226 10.1037 10.1037 10.7914 10.7914 10.9732 10.9732 12.0100 12.0100 k =-0.3822 0.5236-0.0000 ( 4126 PWs) bands (ev): -46.6279 -46.6279 -46.6180 -46.6180 -23.3716 -23.3716 -23.3503 -23.3503 -22.7432 -22.7432 -22.7353 -22.7353 -22.6856 -22.6856 -22.6483 -22.6483 1.3718 1.3718 2.2401 2.2401 5.3844 5.3844 7.8441 7.8441 8.0779 8.0779 8.0886 8.0886 8.2182 8.2182 8.9084 8.9084 9.1873 9.1873 9.8816 9.8816 10.0798 10.0798 10.7918 10.7918 10.9544 10.9544 12.0088 12.0088 k =-0.3760 0.5425-0.0000 ( 4122 PWs) bands (ev): -46.6277 -46.6277 -46.6181 -46.6181 -23.3713 -23.3713 -23.3510 -23.3510 -22.7437 -22.7437 -22.7360 -22.7360 -22.6842 -22.6842 -22.6490 -22.6490 1.4251 1.4251 2.2977 2.2977 5.2416 5.2416 7.8077 7.8077 8.0552 8.0552 8.0604 8.0604 8.2285 8.2285 8.9133 8.9133 9.1718 9.1718 9.9431 9.9431 10.0558 10.0558 10.7945 10.7945 10.9400 10.9400 12.0073 12.0073 k =-0.3698 0.5614-0.0000 ( 4122 PWs) bands (ev): -46.6274 -46.6274 -46.6183 -46.6183 -23.3711 -23.3711 -23.3517 -23.3517 -22.7442 -22.7442 -22.7367 -22.7367 -22.6829 -22.6829 -22.6499 -22.6499 1.4810 1.4810 2.3581 2.3581 5.0993 5.0993 7.7477 7.7477 8.0207 8.0207 8.0607 8.0607 8.2387 8.2387 8.9184 8.9184 9.1565 9.1565 10.0049 10.0049 10.0335 10.0335 10.7994 10.7994 10.9307 10.9307 12.0055 12.0055 k =-0.3636 0.5804-0.0000 ( 4132 PWs) bands (ev): -46.6272 -46.6272 -46.6185 -46.6185 -23.3708 -23.3708 -23.3524 -23.3524 -22.7448 -22.7448 -22.7373 -22.7373 -22.6816 -22.6816 -22.6508 -22.6508 1.5393 1.5393 2.4213 2.4213 4.9577 4.9577 7.6731 7.6731 7.9789 7.9789 8.0760 8.0760 8.2491 8.2491 8.9238 8.9238 9.1417 9.1417 10.0043 10.0043 10.0755 10.0755 10.8062 10.8062 10.9269 10.9269 12.0034 12.0034 k =-0.3574 0.5993-0.0000 ( 4130 PWs) bands (ev): -46.6269 -46.6269 -46.6187 -46.6187 -23.3705 -23.3705 -23.3531 -23.3531 -22.7453 -22.7453 -22.7379 -22.7379 -22.6802 -22.6802 -22.6516 -22.6516 1.6002 1.6002 2.4872 2.4872 4.8169 4.8169 7.5904 7.5904 7.9312 7.9312 8.0986 8.0986 8.2594 8.2594 8.9296 8.9296 9.1275 9.1275 9.9796 9.9796 10.1433 10.1433 10.8150 10.8150 10.9288 10.9288 12.0011 12.0011 k =-0.3512 0.6183-0.0000 ( 4138 PWs) bands (ev): -46.6267 -46.6267 -46.6189 -46.6189 -23.3702 -23.3702 -23.3539 -23.3539 -22.7458 -22.7458 -22.7386 -22.7386 -22.6789 -22.6789 -22.6525 -22.6525 1.6634 1.6634 2.5557 2.5557 4.6772 4.6772 7.5032 7.5032 7.8779 7.8779 8.1253 8.1253 8.2697 8.2697 8.9360 8.9360 9.1139 9.1139 9.9541 9.9541 10.2133 10.2133 10.8255 10.8255 10.9367 10.9367 11.9984 11.9984 k =-0.3450 0.6372-0.0000 ( 4138 PWs) bands (ev): -46.6264 -46.6264 -46.6192 -46.6192 -23.3699 -23.3699 -23.3547 -23.3547 -22.7463 -22.7463 -22.7392 -22.7392 -22.6775 -22.6775 -22.6535 -22.6535 1.7290 1.7290 2.6270 2.6270 4.5387 4.5387 7.4130 7.4130 7.8191 7.8191 8.1544 8.1544 8.2799 8.2799 8.9429 8.9429 9.1012 9.1012 9.9282 9.9282 10.2849 10.2849 10.8376 10.8376 10.9506 10.9506 11.9954 11.9954 k =-0.3388 0.6561-0.0000 ( 4130 PWs) bands (ev): -46.6261 -46.6261 -46.6194 -46.6194 -23.3694 -23.3694 -23.3555 -23.3555 -22.7467 -22.7467 -22.7397 -22.7397 -22.6762 -22.6762 -22.6545 -22.6545 1.7968 1.7968 2.7009 2.7009 4.4018 4.4018 7.3209 7.3209 7.7550 7.7550 8.1853 8.1853 8.2901 8.2901 8.9506 8.9506 9.0893 9.0893 9.9017 9.9017 10.3578 10.3578 10.8511 10.8511 10.9702 10.9702 11.9918 11.9918 k =-0.3326 0.6751-0.0000 ( 4128 PWs) bands (ev): -46.6258 -46.6258 -46.6196 -46.6196 -23.3690 -23.3690 -23.3563 -23.3563 -22.7471 -22.7471 -22.7402 -22.7402 -22.6748 -22.6748 -22.6554 -22.6554 1.8668 1.8668 2.7774 2.7774 4.2666 4.2666 7.2276 7.2276 7.6861 7.6861 8.2174 8.2174 8.3002 8.3002 8.9589 8.9589 9.0785 9.0785 9.8747 9.8747 10.4317 10.4317 10.8660 10.8660 10.9955 10.9955 11.9875 11.9875 k =-0.3264 0.6940-0.0000 ( 4124 PWs) bands (ev): -46.6255 -46.6255 -46.6199 -46.6199 -23.3686 -23.3686 -23.3570 -23.3570 -22.7475 -22.7475 -22.7407 -22.7407 -22.6734 -22.6734 -22.6564 -22.6564 1.9387 1.9387 2.8565 2.8565 4.1333 4.1333 7.1336 7.1336 7.6128 7.6128 8.2504 8.2504 8.3102 8.3102 8.9680 8.9680 9.0687 9.0687 9.8471 9.8471 10.5063 10.5063 10.8820 10.8820 11.0261 11.0261 11.9825 11.9825 k =-0.3202 0.7130-0.0000 ( 4116 PWs) bands (ev): -46.6252 -46.6252 -46.6201 -46.6201 -23.3681 -23.3681 -23.3578 -23.3578 -22.7479 -22.7479 -22.7412 -22.7412 -22.6721 -22.6721 -22.6574 -22.6574 2.0125 2.0125 2.9381 2.9381 4.0023 4.0023 7.0391 7.0391 7.5355 7.5355 8.2839 8.2839 8.3201 8.3201 8.9778 8.9778 9.0602 9.0602 9.8188 9.8188 10.5813 10.5813 10.8990 10.8990 11.0616 11.0616 11.9765 11.9765 k =-0.3140 0.7319-0.0000 ( 4120 PWs) bands (ev): -46.6250 -46.6250 -46.6204 -46.6204 -23.3677 -23.3677 -23.3586 -23.3586 -22.7482 -22.7482 -22.7417 -22.7417 -22.6709 -22.6709 -22.6584 -22.6584 2.0878 2.0878 3.0222 3.0222 3.8738 3.8738 6.9445 6.9445 7.4547 7.4547 8.3178 8.3178 8.3299 8.3299 8.9883 8.9883 9.0530 9.0530 9.7898 9.7898 10.6562 10.6562 10.9169 10.9169 11.1015 11.1015 11.9695 11.9695 k =-0.3078 0.7508-0.0000 ( 4112 PWs) bands (ev): -46.6246 -46.6246 -46.6206 -46.6206 -23.3672 -23.3672 -23.3594 -23.3594 -22.7485 -22.7485 -22.7421 -22.7421 -22.6696 -22.6696 -22.6593 -22.6593 2.1642 2.1642 3.1087 3.1087 3.7484 3.7484 6.8501 6.8501 7.3710 7.3710 8.3396 8.3396 8.3519 8.3519 8.9996 8.9996 9.0471 9.0471 9.7600 9.7600 10.7306 10.7306 10.9356 10.9356 11.1452 11.1452 11.9613 11.9613 k =-0.3016 0.7698-0.0000 ( 4116 PWs) bands (ev): -46.6243 -46.6243 -46.6209 -46.6209 -23.3667 -23.3667 -23.3602 -23.3602 -22.7488 -22.7488 -22.7425 -22.7425 -22.6684 -22.6684 -22.6602 -22.6602 2.2410 2.2410 3.1977 3.1977 3.6268 3.6268 6.7560 6.7560 7.2848 7.2848 8.3494 8.3494 8.3859 8.3859 9.0116 9.0116 9.0426 9.0426 9.7294 9.7294 10.8040 10.8040 10.9549 10.9549 11.1922 11.1922 11.9518 11.9518 k =-0.2954 0.7887-0.0000 ( 4100 PWs) bands (ev): -46.6240 -46.6240 -46.6212 -46.6212 -23.3662 -23.3662 -23.3609 -23.3609 -22.7490 -22.7490 -22.7428 -22.7428 -22.6674 -22.6674 -22.6610 -22.6610 2.3172 2.3172 3.2889 3.2889 3.5100 3.5100 6.6624 6.6624 7.1966 7.1966 8.3590 8.3590 8.4197 8.4197 9.0243 9.0243 9.0396 9.0396 9.6978 9.6978 10.8759 10.8759 10.9747 10.9747 11.2417 11.2417 11.9409 11.9409 k =-0.2892 0.8077-0.0000 ( 4105 PWs) bands (ev): -46.6237 -46.6237 -46.6214 -46.6214 -23.3657 -23.3657 -23.3617 -23.3617 -22.7492 -22.7492 -22.7432 -22.7432 -22.6666 -22.6666 -22.6615 -22.6615 2.3911 2.3911 3.3822 3.3822 3.4002 3.4002 6.5696 6.5696 7.1069 7.1069 8.3687 8.3687 8.4531 8.4531 9.0376 9.0376 9.0383 9.0383 9.6653 9.6653 10.9455 10.9455 10.9949 10.9949 11.2927 11.2927 11.9265 11.9265 k =-0.2830 0.8266-0.0000 ( 4111 PWs) bands (ev): -46.6234 -46.6234 -46.6217 -46.6217 -23.3652 -23.3652 -23.3624 -23.3624 -22.7494 -22.7494 -22.7435 -22.7435 -22.6665 -22.6665 -22.6615 -22.6615 2.4594 2.4594 3.2995 3.2995 3.4784 3.4784 6.4776 6.4776 7.0159 7.0159 8.3785 8.3785 8.4858 8.4858 9.0382 9.0382 9.0518 9.0518 9.6319 9.6319 11.0121 11.0121 11.0154 11.0154 11.3442 11.3442 11.8911 11.8911 k =-0.2768 0.8455-0.0000 ( 4113 PWs) bands (ev): -46.6231 -46.6231 -46.6220 -46.6220 -23.3647 -23.3647 -23.3631 -23.3631 -22.7496 -22.7496 -22.7438 -22.7438 -22.6669 -22.6669 -22.6609 -22.6609 2.5163 2.5163 3.2151 3.2151 3.5763 3.5763 6.3866 6.3866 6.9242 6.9242 8.3882 8.3882 8.5177 8.5177 9.0399 9.0399 9.0666 9.0666 9.5976 9.5976 11.0360 11.0360 11.0752 11.0752 11.3946 11.3946 11.8381 11.8381 k =-0.2768 0.8455-0.0000 ( 4113 PWs) bands (ev): -46.6231 -46.6231 -46.6220 -46.6220 -23.3647 -23.3647 -23.3631 -23.3631 -22.7496 -22.7496 -22.7438 -22.7438 -22.6669 -22.6669 -22.6609 -22.6609 2.5163 2.5163 3.2151 3.2151 3.5763 3.5763 6.3866 6.3866 6.9242 6.9242 8.3882 8.3882 8.5177 8.5177 9.0399 9.0399 9.0666 9.0666 9.5976 9.5976 11.0360 11.0360 11.0752 11.0752 11.3946 11.3946 11.8381 11.8381 k =-0.2768 0.8455 0.0202 ( 4116 PWs) bands (ev): -46.6231 -46.6231 -46.6220 -46.6220 -23.3647 -23.3647 -23.3631 -23.3631 -22.7496 -22.7496 -22.7438 -22.7438 -22.6669 -22.6669 -22.6609 -22.6609 2.5175 2.5175 3.2166 3.2166 3.5774 3.5774 6.3867 6.3867 6.9255 6.9255 8.3785 8.3785 8.5221 8.5221 9.0342 9.0342 9.0693 9.0693 9.5940 9.5940 11.0321 11.0321 11.0748 11.0748 11.3976 11.3976 11.8283 11.8283 k =-0.2768 0.8455 0.0405 ( 4120 PWs) bands (ev): -46.6231 -46.6231 -46.6220 -46.6220 -23.3647 -23.3647 -23.3632 -23.3632 -22.7496 -22.7496 -22.7438 -22.7438 -22.6669 -22.6669 -22.6609 -22.6609 2.5212 2.5212 3.2209 3.2209 3.5808 3.5808 6.3871 6.3871 6.9291 6.9291 8.3527 8.3527 8.5319 8.5319 9.0199 9.0199 9.0742 9.0742 9.5833 9.5833 11.0208 11.0208 11.0734 11.0734 11.4062 11.4062 11.8008 11.8008 k =-0.2768 0.8455 0.0607 ( 4120 PWs) bands (ev): -46.6231 -46.6231 -46.6220 -46.6220 -23.3647 -23.3647 -23.3632 -23.3632 -22.7497 -22.7497 -22.7439 -22.7439 -22.6670 -22.6670 -22.6609 -22.6609 2.5274 2.5274 3.2281 3.2281 3.5864 3.5864 6.3877 6.3877 6.9352 6.9352 8.3160 8.3160 8.5418 8.5418 8.9996 8.9996 9.0790 9.0790 9.5662 9.5662 11.0032 11.0032 11.0708 11.0708 11.4192 11.4192 11.7604 11.7604 k =-0.2768 0.8455 0.0809 ( 4124 PWs) bands (ev): -46.6231 -46.6231 -46.6220 -46.6220 -23.3648 -23.3648 -23.3633 -23.3633 -22.7497 -22.7497 -22.7440 -22.7440 -22.6670 -22.6670 -22.6609 -22.6609 2.5361 2.5361 3.2381 3.2381 3.5941 3.5941 6.3884 6.3884 6.9438 6.9438 8.2716 8.2716 8.5483 8.5483 8.9738 8.9738 9.0835 9.0835 9.5436 9.5436 10.9802 10.9802 11.0663 11.0663 11.4354 11.4354 11.7128 11.7128 k =-0.2768 0.8455 0.1012 ( 4124 PWs) bands (ev): -46.6231 -46.6231 -46.6220 -46.6220 -23.3648 -23.3648 -23.3634 -23.3634 -22.7498 -22.7498 -22.7441 -22.7441 -22.6670 -22.6670 -22.6610 -22.6610 2.5473 2.5473 3.2510 3.2510 3.6041 3.6041 6.3891 6.3891 6.9548 6.9548 8.2211 8.2211 8.5498 8.5498 8.9426 8.9426 9.0879 9.0879 9.5169 9.5169 10.9529 10.9529 11.0592 11.0592 11.4535 11.4535 11.6625 11.6625 k =-0.2768 0.8455 0.1214 ( 4124 PWs) bands (ev): -46.6231 -46.6231 -46.6220 -46.6220 -23.3649 -23.3649 -23.3634 -23.3634 -22.7499 -22.7499 -22.7442 -22.7442 -22.6670 -22.6670 -22.6610 -22.6610 2.5609 2.5609 3.2668 3.2668 3.6162 3.6162 6.3897 6.3897 6.9682 6.9682 8.1653 8.1653 8.5449 8.5449 8.9063 8.9063 9.0923 9.0923 9.4876 9.4876 10.9222 10.9222 11.0486 11.0486 11.4723 11.4723 11.6132 11.6132 k =-0.2768 0.8455 0.1416 ( 4126 PWs) bands (ev): -46.6231 -46.6231 -46.6220 -46.6220 -23.3650 -23.3650 -23.3635 -23.3635 -22.7501 -22.7501 -22.7444 -22.7444 -22.6670 -22.6670 -22.6610 -22.6610 2.5770 2.5770 3.2854 3.2854 3.6305 3.6305 6.3899 6.3899 6.9840 6.9840 8.1050 8.1050 8.5327 8.5327 8.8650 8.8650 9.0968 9.0968 9.4572 9.4572 10.8887 10.8887 11.0336 11.0336 11.4909 11.4909 11.5677 11.5677 k =-0.2768 0.8455 0.1619 ( 4126 PWs) bands (ev): -46.6231 -46.6231 -46.6219 -46.6219 -23.3651 -23.3651 -23.3636 -23.3636 -22.7502 -22.7502 -22.7445 -22.7445 -22.6670 -22.6670 -22.6610 -22.6610 2.5955 2.5955 3.3068 3.3068 3.6469 3.6469 6.3896 6.3896 7.0021 7.0021 8.0409 8.0409 8.5123 8.5123 8.8191 8.8191 9.1015 9.1015 9.4274 9.4274 10.8529 10.8529 11.0134 11.0134 11.5086 11.5086 11.5281 11.5281 k =-0.2768 0.8455 0.1821 ( 4132 PWs) bands (ev): -46.6231 -46.6231 -46.6219 -46.6219 -23.3652 -23.3652 -23.3638 -23.3638 -22.7504 -22.7504 -22.7447 -22.7447 -22.6670 -22.6670 -22.6610 -22.6610 2.6165 2.6165 3.3309 3.3309 3.6652 3.6652 6.3883 6.3883 7.0227 7.0227 7.9735 7.9735 8.4833 8.4833 8.7691 8.7691 9.1065 9.1065 9.3994 9.3994 10.8150 10.8150 10.9876 10.9876 11.4944 11.4944 11.5263 11.5263 k =-0.2768 0.8455 0.2023 ( 4132 PWs) bands (ev): -46.6230 -46.6230 -46.6219 -46.6219 -23.3654 -23.3654 -23.3639 -23.3639 -22.7506 -22.7506 -22.7449 -22.7449 -22.6669 -22.6669 -22.6610 -22.6610 2.6398 2.6398 3.3579 3.3579 3.6856 3.6856 6.3859 6.3859 7.0455 7.0455 7.9036 7.9036 8.4453 8.4453 8.7152 8.7152 9.1118 9.1118 9.3744 9.3744 10.7755 10.7755 10.9566 10.9566 11.4688 11.4688 11.5418 11.5418 k =-0.2768 0.8455 0.2226 ( 4132 PWs) bands (ev): -46.6230 -46.6230 -46.6219 -46.6219 -23.3655 -23.3655 -23.3640 -23.3640 -22.7508 -22.7508 -22.7451 -22.7451 -22.6669 -22.6669 -22.6610 -22.6610 2.6656 2.6656 3.3875 3.3875 3.7079 3.7079 6.3816 6.3816 7.0707 7.0707 7.8321 7.8321 8.3985 8.3985 8.6580 8.6580 9.1173 9.1173 9.3527 9.3527 10.7346 10.7346 10.9211 10.9211 11.4500 11.4500 11.5560 11.5560 k =-0.2768 0.8455 0.2428 ( 4126 PWs) bands (ev): -46.6230 -46.6230 -46.6219 -46.6219 -23.3656 -23.3656 -23.3641 -23.3641 -22.7510 -22.7510 -22.7453 -22.7453 -22.6669 -22.6669 -22.6610 -22.6610 2.6938 2.6938 3.4199 3.4199 3.7320 3.7320 6.3751 6.3751 7.0981 7.0981 7.7597 7.7597 8.3433 8.3433 8.5979 8.5979 9.1231 9.1231 9.3346 9.3346 10.6924 10.6924 10.8827 10.8827 11.4371 11.4371 11.5690 11.5690 k =-0.2768 0.8455 0.2631 ( 4124 PWs) bands (ev): -46.6230 -46.6230 -46.6219 -46.6219 -23.3658 -23.3658 -23.3642 -23.3642 -22.7512 -22.7512 -22.7456 -22.7456 -22.6669 -22.6669 -22.6611 -22.6611 2.7243 2.7243 3.4549 3.4549 3.7580 3.7580 6.3657 6.3657 7.1277 7.1277 7.6874 7.6874 8.2804 8.2804 8.5352 8.5352 9.1292 9.1292 9.3196 9.3196 10.6492 10.6492 10.8429 10.8429 11.4290 11.4290 11.5807 11.5807 k =-0.2768 0.8455 0.2833 ( 4122 PWs) bands (ev): -46.6230 -46.6230 -46.6218 -46.6218 -23.3659 -23.3659 -23.3644 -23.3644 -22.7515 -22.7515 -22.7458 -22.7458 -22.6669 -22.6669 -22.6610 -22.6610 2.7572 2.7572 3.4925 3.4925 3.7856 3.7856 6.3525 6.3525 7.1595 7.1595 7.6163 7.6163 8.2110 8.2110 8.4704 8.4704 9.1355 9.1355 9.3072 9.3072 10.6051 10.6051 10.8031 10.8031 11.4248 11.4248 11.5913 11.5913 k =-0.2768 0.8455 0.3035 ( 4124 PWs) bands (ev): -46.6230 -46.6230 -46.6218 -46.6218 -23.3661 -23.3661 -23.3646 -23.3646 -22.7517 -22.7517 -22.7461 -22.7461 -22.6669 -22.6669 -22.6611 -22.6611 2.7924 2.7924 3.5327 3.5327 3.8148 3.8148 6.3347 6.3347 7.1935 7.1935 7.5474 7.5474 8.1361 8.1361 8.4038 8.4038 9.1420 9.1420 9.2966 9.2966 10.5603 10.5603 10.7648 10.7648 11.4235 11.4235 11.6008 11.6008 k =-0.2768 0.8455 0.3238 ( 4122 PWs) bands (ev): -46.6229 -46.6229 -46.6218 -46.6218 -23.3662 -23.3662 -23.3647 -23.3647 -22.7520 -22.7520 -22.7463 -22.7463 -22.6669 -22.6669 -22.6611 -22.6611 2.8299 2.8299 3.5754 3.5754 3.8454 3.8454 6.3116 6.3116 7.2294 7.2294 7.4818 7.4818 8.0569 8.0569 8.3358 8.3358 9.1487 9.1487 9.2868 9.2868 10.5149 10.5149 10.7292 10.7292 11.4244 11.4244 11.6095 11.6095 k =-0.2768 0.8455 0.3440 ( 4116 PWs) bands (ev): -46.6229 -46.6229 -46.6218 -46.6218 -23.3664 -23.3664 -23.3649 -23.3649 -22.7522 -22.7522 -22.7466 -22.7466 -22.6669 -22.6669 -22.6611 -22.6611 2.8696 2.8696 3.6206 3.6206 3.8775 3.8775 6.2821 6.2821 7.2673 7.2673 7.4203 7.4203 7.9747 7.9747 8.2668 8.2668 9.1554 9.1554 9.2770 9.2770 10.4689 10.4689 10.6973 10.6973 11.4269 11.4269 11.6173 11.6173 k =-0.2768 0.8455 0.3642 ( 4118 PWs) bands (ev): -46.6229 -46.6229 -46.6217 -46.6217 -23.3666 -23.3666 -23.3650 -23.3650 -22.7525 -22.7525 -22.7469 -22.7469 -22.6668 -22.6668 -22.6611 -22.6611 2.9116 2.9116 3.6681 3.6681 3.9107 3.9107 6.2456 6.2456 7.3071 7.3071 7.3633 7.3633 7.8907 7.8907 8.1970 8.1970 9.1623 9.1623 9.2665 9.2665 10.4225 10.4225 10.6699 10.6699 11.4305 11.4305 11.6244 11.6244 k =-0.2768 0.8455 0.3845 ( 4118 PWs) bands (ev): -46.6229 -46.6229 -46.6217 -46.6217 -23.3668 -23.3668 -23.3652 -23.3652 -22.7528 -22.7528 -22.7471 -22.7471 -22.6668 -22.6668 -22.6611 -22.6611 2.9558 2.9558 3.7179 3.7179 3.9451 3.9451 6.2017 6.2017 7.3107 7.3107 7.3489 7.3489 7.8065 7.8065 8.1270 8.1270 9.1692 9.1692 9.2546 9.2546 10.3757 10.3757 10.6479 10.6479 11.4350 11.4350 11.6309 11.6309 k =-0.2768 0.8455 0.4047 ( 4118 PWs) bands (ev): -46.6228 -46.6228 -46.6217 -46.6217 -23.3669 -23.3669 -23.3654 -23.3654 -22.7530 -22.7530 -22.7474 -22.7474 -22.6668 -22.6668 -22.6611 -22.6611 3.0020 3.0020 3.7699 3.7699 3.9804 3.9804 6.1503 6.1503 7.2621 7.2621 7.3920 7.3920 7.7239 7.7239 8.0569 8.0569 9.1762 9.1762 9.2407 9.2407 10.3284 10.3284 10.6317 10.6317 11.4400 11.4400 11.6367 11.6367 k =-0.2768 0.8455 0.4249 ( 4118 PWs) bands (ev): -46.6228 -46.6228 -46.6217 -46.6217 -23.3671 -23.3671 -23.3655 -23.3655 -22.7533 -22.7533 -22.7477 -22.7477 -22.6668 -22.6668 -22.6612 -22.6612 3.0504 3.0504 3.8240 3.8240 4.0165 4.0165 6.0916 6.0916 7.2154 7.2154 7.4367 7.4367 7.6451 7.6451 7.9872 7.9872 9.1832 9.1832 9.2246 9.2246 10.2809 10.2809 10.6217 10.6217 11.4454 11.4454 11.6419 11.6419 k =-0.2768 0.8455 0.4452 ( 4125 PWs) bands (ev): -46.6228 -46.6228 -46.6217 -46.6217 -23.3673 -23.3673 -23.3658 -23.3658 -22.7536 -22.7536 -22.7480 -22.7480 -22.6668 -22.6668 -22.6612 -22.6612 3.1007 3.1007 3.8800 3.8800 4.0531 4.0531 6.0262 6.0262 7.1680 7.1680 7.4826 7.4826 7.5732 7.5732 7.9182 7.9182 9.1901 9.1901 9.2062 9.2062 10.2329 10.2329 10.6181 10.6181 11.4510 11.4510 11.6465 11.6465 k =-0.2768 0.8455 0.4654 ( 4117 PWs) bands (ev): -46.6228 -46.6228 -46.6216 -46.6216 -23.3674 -23.3674 -23.3659 -23.3659 -22.7538 -22.7538 -22.7483 -22.7483 -22.6668 -22.6668 -22.6612 -22.6612 3.1529 3.1529 3.9379 3.9379 4.0901 4.0901 5.9550 5.9550 7.1165 7.1165 7.5113 7.5113 7.5296 7.5296 7.8503 7.8503 9.1847 9.1847 9.1978 9.1978 10.1846 10.1846 10.6209 10.6209 11.4567 11.4567 11.6503 11.6503 k =-0.2768 0.8455 0.4856 ( 4115 PWs) bands (ev): -46.6228 -46.6228 -46.6216 -46.6216 -23.3676 -23.3676 -23.3661 -23.3661 -22.7541 -22.7541 -22.7485 -22.7485 -22.6668 -22.6668 -22.6612 -22.6612 3.2070 3.2070 3.9975 3.9975 4.1273 4.1273 5.8789 5.8789 7.0578 7.0578 7.4622 7.4622 7.5770 7.5770 7.7844 7.7844 9.1617 9.1617 9.2048 9.2048 10.1358 10.1358 10.6299 10.6299 11.4624 11.4624 11.6533 11.6533 k =-0.2768 0.8455 0.5059 ( 4115 PWs) bands (ev): -46.6227 -46.6227 -46.6216 -46.6216 -23.3678 -23.3678 -23.3662 -23.3662 -22.7543 -22.7543 -22.7488 -22.7488 -22.6668 -22.6668 -22.6612 -22.6612 3.2628 3.2628 4.0585 4.0585 4.1643 4.1643 5.7989 5.7989 6.9907 6.9907 7.4266 7.4266 7.6226 7.6226 7.7225 7.7225 9.1365 9.1365 9.2121 9.2121 10.0866 10.0866 10.6449 10.6449 11.4679 11.4679 11.6549 11.6549 k =-0.2768 0.8455 0.5261 ( 4113 PWs) bands (ev): -46.6227 -46.6227 -46.6216 -46.6216 -23.3679 -23.3679 -23.3663 -23.3663 -22.7546 -22.7546 -22.7490 -22.7490 -22.6667 -22.6667 -22.6612 -22.6612 3.3201 3.3201 4.1207 4.1207 4.2010 4.2010 5.7160 5.7160 6.9160 6.9160 7.4034 7.4034 7.6376 7.6376 7.6938 7.6938 9.1098 9.1098 9.2196 9.2196 10.0371 10.0371 10.6655 10.6655 11.4733 11.4733 11.6543 11.6543 k =-0.2768 0.8455 0.5463 ( 4113 PWs) bands (ev): -46.6227 -46.6227 -46.6215 -46.6215 -23.3681 -23.3681 -23.3665 -23.3665 -22.7548 -22.7548 -22.7493 -22.7493 -22.6667 -22.6667 -22.6612 -22.6612 3.3789 3.3789 4.1839 4.1839 4.2370 4.2370 5.6312 5.6312 6.8359 6.8359 7.3900 7.3900 7.5871 7.5871 7.7331 7.7331 9.0820 9.0820 9.2274 9.2274 9.9871 9.9871 10.6914 10.6914 11.4785 11.4785 11.6491 11.6491 k =-0.2768 0.8455 0.5666 ( 4114 PWs) bands (ev): -46.6227 -46.6227 -46.6215 -46.6215 -23.3683 -23.3683 -23.3666 -23.3666 -22.7550 -22.7550 -22.7495 -22.7495 -22.6667 -22.6667 -22.6612 -22.6612 3.4388 3.4388 4.2476 4.2476 4.2721 4.2721 5.5454 5.5454 6.7526 6.7526 7.3841 7.3841 7.5307 7.5307 7.7808 7.7808 9.0536 9.0536 9.2356 9.2356 9.9368 9.9368 10.7221 10.7221 11.4834 11.4834 11.6339 11.6339 k =-0.2768 0.8455 0.5868 ( 4118 PWs) bands (ev): -46.6227 -46.6227 -46.6215 -46.6215 -23.3684 -23.3684 -23.3668 -23.3668 -22.7552 -22.7552 -22.7497 -22.7497 -22.6667 -22.6667 -22.6613 -22.6613 3.4995 3.4995 4.3055 4.3055 4.3120 4.3120 5.4594 5.4594 6.6681 6.6681 7.3835 7.3835 7.4762 7.4762 7.8289 7.8289 9.0252 9.0252 9.2443 9.2443 9.8864 9.8864 10.7571 10.7571 11.4880 11.4880 11.6038 11.6038 k =-0.2768 0.8455 0.6070 ( 4113 PWs) bands (ev): -46.6226 -46.6226 -46.6215 -46.6215 -23.3685 -23.3685 -23.3668 -23.3668 -22.7554 -22.7554 -22.7499 -22.7499 -22.6667 -22.6667 -22.6612 -22.6612 3.5608 3.5608 4.3379 4.3379 4.3753 4.3753 5.3741 5.3741 6.5841 6.5841 7.3866 7.3866 7.4250 7.4250 7.8762 7.8762 8.9974 8.9974 9.2537 9.2537 9.8360 9.8360 10.7961 10.7961 11.4921 11.4921 11.5640 11.5640 k =-0.2768 0.8455 0.6273 ( 4117 PWs) bands (ev): -46.6226 -46.6226 -46.6215 -46.6215 -23.3687 -23.3687 -23.3670 -23.3670 -22.7556 -22.7556 -22.7501 -22.7501 -22.6667 -22.6667 -22.6612 -22.6612 3.6221 3.6221 4.3680 4.3680 4.4379 4.4379 5.2903 5.2903 6.5020 6.5020 7.3773 7.3773 7.3923 7.3923 7.9218 7.9218 8.9707 8.9707 9.2641 9.2641 9.7859 9.7859 10.8385 10.8385 11.4959 11.4959 11.5227 11.5227 k =-0.2768 0.8455 0.6475 ( 4123 PWs) bands (ev): -46.6226 -46.6226 -46.6215 -46.6215 -23.3688 -23.3688 -23.3671 -23.3671 -22.7558 -22.7558 -22.7503 -22.7503 -22.6667 -22.6667 -22.6613 -22.6613 3.6827 3.6827 4.3958 4.3958 4.4987 4.4987 5.2090 5.2090 6.4233 6.4233 7.3342 7.3342 7.3992 7.3992 7.9649 7.9649 8.9457 8.9457 9.2756 9.2756 9.7365 9.7365 10.8840 10.8840 11.4838 11.4838 11.4993 11.4993 k =-0.2768 0.8455 0.6677 ( 4118 PWs) bands (ev): -46.6226 -46.6226 -46.6215 -46.6215 -23.3688 -23.3688 -23.3672 -23.3672 -22.7559 -22.7559 -22.7504 -22.7504 -22.6667 -22.6667 -22.6613 -22.6613 3.7417 3.7417 4.4208 4.4208 4.5567 4.5567 5.1313 5.1313 6.3494 6.3494 7.2957 7.2957 7.4067 7.4067 8.0048 8.0048 8.9227 8.9227 9.2886 9.2886 9.6881 9.6881 10.9323 10.9323 11.4491 11.4491 11.5019 11.5019 k =-0.2768 0.8455 0.6880 ( 4120 PWs) bands (ev): -46.6226 -46.6226 -46.6214 -46.6214 -23.3689 -23.3689 -23.3673 -23.3673 -22.7560 -22.7560 -22.7505 -22.7505 -22.6667 -22.6667 -22.6613 -22.6613 3.7979 3.7979 4.4427 4.4427 4.6108 4.6108 5.0587 5.0587 6.2819 6.2819 7.2623 7.2623 7.4143 7.4143 8.0407 8.0407 8.9024 8.9024 9.3032 9.3032 9.6414 9.6414 10.9830 10.9830 11.4191 11.4191 11.5034 11.5034 k =-0.2768 0.8455 0.7082 ( 4118 PWs) bands (ev): -46.6226 -46.6226 -46.6214 -46.6214 -23.3690 -23.3690 -23.3673 -23.3673 -22.7561 -22.7561 -22.7506 -22.7506 -22.6666 -22.6666 -22.6612 -22.6612 3.8497 3.8497 4.4611 4.4611 4.6595 4.6595 4.9926 4.9926 6.2226 6.2226 7.2344 7.2344 7.4212 7.4212 8.0717 8.0717 8.8851 8.8851 9.3197 9.3197 9.5971 9.5971 11.0358 11.0358 11.3943 11.3943 11.4957 11.4957 k =-0.2768 0.8455 0.7285 ( 4114 PWs) bands (ev): -46.6226 -46.6226 -46.6214 -46.6214 -23.3690 -23.3690 -23.3673 -23.3673 -22.7562 -22.7562 -22.7507 -22.7507 -22.6666 -22.6666 -22.6612 -22.6612 3.8946 3.8946 4.4758 4.4758 4.7015 4.7015 4.9353 4.9353 6.1734 6.1734 7.2124 7.2124 7.4270 7.4270 8.0969 8.0969 8.8713 8.8713 9.3380 9.3380 9.5560 9.5560 11.0903 11.0903 11.3748 11.3748 11.4450 11.4450 k =-0.2768 0.8455 0.7487 ( 4114 PWs) bands (ev): -46.6226 -46.6226 -46.6214 -46.6214 -23.3690 -23.3690 -23.3674 -23.3674 -22.7562 -22.7562 -22.7507 -22.7507 -22.6666 -22.6666 -22.6612 -22.6612 3.9300 3.9300 4.4865 4.4865 4.7353 4.7353 4.8890 4.8890 6.1363 6.1363 7.1964 7.1964 7.4315 7.4315 8.1155 8.1155 8.8611 8.8611 9.3573 9.3573 9.5197 9.5197 11.1462 11.1462 11.3603 11.3603 11.3857 11.3857 k =-0.2768 0.8455 0.7689 ( 4118 PWs) bands (ev): -46.6226 -46.6226 -46.6214 -46.6214 -23.3691 -23.3691 -23.3674 -23.3674 -22.7563 -22.7563 -22.7508 -22.7508 -22.6666 -22.6666 -22.6612 -22.6612 3.9530 3.9530 4.4930 4.4930 4.7593 4.7593 4.8565 4.8565 6.1132 6.1132 7.1867 7.1867 7.4343 7.4343 8.1270 8.1270 8.8550 8.8550 9.3749 9.3749 9.4917 9.4917 11.2028 11.2028 11.3250 11.3250 11.3535 11.3535 k =-0.2768 0.8455 0.7892 ( 4114 PWs) bands (ev): -46.6226 -46.6226 -46.6214 -46.6214 -23.3691 -23.3691 -23.3674 -23.3674 -22.7563 -22.7563 -22.7508 -22.7508 -22.6666 -22.6666 -22.6612 -22.6612 3.9609 3.9609 4.4952 4.4952 4.7692 4.7692 4.8437 4.8437 6.1053 6.1053 7.1835 7.1835 7.4352 7.4352 8.1308 8.1308 8.8529 8.8529 9.3831 9.3831 9.4799 9.4799 11.2477 11.2477 11.2795 11.2795 11.3503 11.3503 k =-0.2768 0.8455 0.7892 ( 4114 PWs) bands (ev): -46.6226 -46.6226 -46.6214 -46.6214 -23.3691 -23.3691 -23.3674 -23.3674 -22.7563 -22.7563 -22.7508 -22.7508 -22.6666 -22.6666 -22.6612 -22.6612 3.9609 3.9609 4.4952 4.4952 4.7692 4.7692 4.8437 4.8437 6.1053 6.1053 7.1835 7.1835 7.4352 7.4352 8.1308 8.1308 8.8529 8.8529 9.3831 9.3831 9.4799 9.4799 11.2477 11.2477 11.2795 11.2795 11.3503 11.3503 k =-0.2830 0.8266 0.7892 ( 4110 PWs) bands (ev): -46.6229 -46.6229 -46.6211 -46.6211 -23.3696 -23.3696 -23.3668 -23.3668 -22.7562 -22.7562 -22.7505 -22.7505 -22.6663 -22.6663 -22.6617 -22.6617 3.9417 3.9417 4.4221 4.4221 4.7981 4.7981 4.8121 4.8121 6.1685 6.1685 7.1048 7.1048 7.5399 7.5399 8.1992 8.1992 8.8756 8.8756 9.3232 9.3232 9.5114 9.5114 11.2410 11.2410 11.2801 11.2801 11.3476 11.3476 k =-0.2892 0.8077 0.7892 ( 4116 PWs) bands (ev): -46.6232 -46.6232 -46.6209 -46.6209 -23.3701 -23.3701 -23.3661 -23.3661 -22.7560 -22.7560 -22.7503 -22.7503 -22.6667 -22.6667 -22.6615 -22.6615 3.9071 3.9071 4.3505 4.3505 4.7519 4.7519 4.8681 4.8681 6.2408 6.2408 7.0248 7.0248 7.6467 7.6467 8.2687 8.2687 8.8962 8.8962 9.2642 9.2642 9.5441 9.5441 11.2347 11.2347 11.2814 11.2814 11.3435 11.3435 k =-0.2954 0.7887 0.7892 ( 4128 PWs) bands (ev): -46.6235 -46.6235 -46.6206 -46.6206 -23.3706 -23.3706 -23.3654 -23.3654 -22.7559 -22.7559 -22.7500 -22.7500 -22.6676 -22.6676 -22.6609 -22.6609 3.8615 3.8615 4.2805 4.2805 4.6983 4.6983 4.9415 4.9415 6.3200 6.3200 6.9440 6.9440 7.7555 7.7555 8.3392 8.3392 8.9146 8.9146 9.2060 9.2060 9.5780 9.5780 11.2291 11.2291 11.2835 11.2835 11.3383 11.3383 k =-0.3016 0.7698 0.7892 ( 4132 PWs) bands (ev): -46.6238 -46.6238 -46.6203 -46.6203 -23.3711 -23.3711 -23.3647 -23.3647 -22.7556 -22.7556 -22.7497 -22.7497 -22.6687 -22.6687 -22.6600 -22.6600 3.8088 3.8088 4.2122 4.2122 4.6416 4.6416 5.0259 5.0259 6.4044 6.4044 6.8629 6.8629 7.8662 7.8662 8.4106 8.4106 8.9309 8.9309 9.1489 9.1489 9.6130 9.6130 11.2242 11.2242 11.2866 11.2866 11.3322 11.3322 k =-0.3078 0.7508 0.7892 ( 4140 PWs) bands (ev): -46.6241 -46.6241 -46.6200 -46.6200 -23.3716 -23.3716 -23.3640 -23.3640 -22.7554 -22.7554 -22.7494 -22.7494 -22.6700 -22.6700 -22.6590 -22.6590 3.7519 3.7519 4.1456 4.1456 4.5828 4.5828 5.1184 5.1184 6.4926 6.4926 6.7818 6.7818 7.9787 7.9787 8.4826 8.4826 8.9450 8.9450 9.0928 9.0928 9.6490 9.6490 11.2199 11.2199 11.2908 11.2908 11.3253 11.3253 k =-0.3140 0.7319 0.7892 ( 4136 PWs) bands (ev): -46.6244 -46.6244 -46.6198 -46.6198 -23.3721 -23.3721 -23.3632 -23.3632 -22.7551 -22.7551 -22.7490 -22.7490 -22.6713 -22.6713 -22.6579 -22.6579 3.6926 3.6926 4.0808 4.0808 4.5231 4.5231 5.2170 5.2170 6.5835 6.5835 6.7013 6.7013 8.0927 8.0927 8.5553 8.5553 8.9570 8.9570 9.0380 9.0380 9.6859 9.6859 11.2163 11.2163 11.2963 11.2963 11.3178 11.3178 k =-0.3202 0.7130 0.7892 ( 4146 PWs) bands (ev): -46.6247 -46.6247 -46.6195 -46.6195 -23.3726 -23.3726 -23.3625 -23.3625 -22.7549 -22.7549 -22.7486 -22.7486 -22.6727 -22.6727 -22.6569 -22.6569 3.6323 3.6323 4.0178 4.0178 4.4629 4.4629 5.3205 5.3205 6.6208 6.6208 6.6768 6.6768 8.2082 8.2082 8.6282 8.6282 8.9670 8.9670 8.9845 8.9845 9.7237 9.7237 11.2135 11.2135 11.3030 11.3030 11.3099 11.3099 k =-0.3264 0.6940 0.7892 ( 4138 PWs) bands (ev): -46.6250 -46.6250 -46.6193 -46.6193 -23.3730 -23.3730 -23.3617 -23.3617 -22.7545 -22.7545 -22.7480 -22.7480 -22.6740 -22.6740 -22.6558 -22.6558 3.5719 3.5719 3.9567 3.9567 4.4030 4.4030 5.4279 5.4279 6.5422 6.5422 6.7704 6.7704 8.3250 8.3250 8.7012 8.7012 8.9326 8.9326 8.9751 8.9751 9.7625 9.7625 11.2114 11.2114 11.3014 11.3014 11.3113 11.3113 k =-0.3326 0.6751 0.7892 ( 4130 PWs) bands (ev): -46.6253 -46.6253 -46.6190 -46.6190 -23.3734 -23.3734 -23.3610 -23.3610 -22.7541 -22.7541 -22.7475 -22.7475 -22.6754 -22.6754 -22.6547 -22.6547 3.5120 3.5120 3.8975 3.8975 4.3437 4.3437 5.5384 5.5384 6.4647 6.4647 6.8646 6.8646 8.4429 8.4429 8.7731 8.7731 8.8832 8.8832 8.9816 8.9816 9.8022 9.8022 11.2101 11.2101 11.2930 11.2930 11.3204 11.3204 k =-0.3388 0.6561 0.7892 ( 4132 PWs) bands (ev): -46.6256 -46.6256 -46.6188 -46.6188 -23.3737 -23.3737 -23.3603 -23.3603 -22.7537 -22.7537 -22.7471 -22.7471 -22.6768 -22.6768 -22.6537 -22.6537 3.4531 3.4531 3.8402 3.8402 4.2853 4.2853 5.6516 5.6516 6.3886 6.3886 6.9587 6.9587 8.5617 8.5617 8.8191 8.8191 8.8612 8.8612 8.9865 8.9865 9.8428 9.8428 11.2098 11.2098 11.2844 11.2844 11.3304 11.3304 k =-0.3450 0.6372 0.7892 ( 4124 PWs) bands (ev): -46.6258 -46.6258 -46.6186 -46.6186 -23.3741 -23.3741 -23.3595 -23.3595 -22.7532 -22.7532 -22.7465 -22.7465 -22.6781 -22.6781 -22.6527 -22.6527 3.3954 3.3954 3.7849 3.7849 4.2281 4.2281 5.7670 5.7670 6.3142 6.3142 7.0521 7.0521 8.6812 8.6812 8.7797 8.7797 8.9258 8.9258 8.9903 8.9903 9.8844 9.8844 11.2104 11.2104 11.2758 11.2758 11.3408 11.3408 k =-0.3512 0.6183 0.7892 ( 4132 PWs) bands (ev): -46.6261 -46.6261 -46.6184 -46.6184 -23.3745 -23.3745 -23.3588 -23.3588 -22.7529 -22.7529 -22.7460 -22.7460 -22.6795 -22.6795 -22.6517 -22.6517 3.3392 3.3392 3.7316 3.7316 4.1723 4.1723 5.8844 5.8844 6.2416 6.2416 7.1443 7.1443 8.7341 8.7341 8.8011 8.8011 8.9907 8.9907 9.0002 9.0002 9.9269 9.9269 11.2120 11.2120 11.2673 11.2673 11.3512 11.3512 k =-0.3574 0.5993 0.7892 ( 4136 PWs) bands (ev): -46.6264 -46.6264 -46.6182 -46.6182 -23.3748 -23.3748 -23.3581 -23.3581 -22.7524 -22.7524 -22.7454 -22.7454 -22.6809 -22.6809 -22.6508 -22.6508 3.2847 3.2847 3.6803 3.6803 4.1180 4.1180 6.0033 6.0033 6.1711 6.1711 7.2347 7.2347 8.6894 8.6894 8.9211 8.9211 8.9944 8.9944 9.0707 9.0707 9.9703 9.9703 11.2149 11.2149 11.2589 11.2589 11.3611 11.3611 k =-0.3636 0.5804 0.7892 ( 4132 PWs) bands (ev): -46.6266 -46.6266 -46.6179 -46.6179 -23.3751 -23.3751 -23.3575 -23.3575 -22.7520 -22.7520 -22.7447 -22.7447 -22.6822 -22.6822 -22.6499 -22.6499 3.2321 3.2321 3.6311 3.6311 4.0654 4.0654 6.1027 6.1027 6.1235 6.1235 7.3229 7.3229 8.6462 8.6462 8.9957 8.9957 9.0411 9.0411 9.1424 9.1424 10.0146 10.0146 11.2190 11.2190 11.2509 11.2509 11.3702 11.3702 k =-0.3698 0.5614 0.7892 ( 4132 PWs) bands (ev): -46.6269 -46.6269 -46.6178 -46.6178 -23.3754 -23.3754 -23.3568 -23.3568 -22.7515 -22.7515 -22.7441 -22.7441 -22.6836 -22.6836 -22.6490 -22.6490 3.1814 3.1814 3.5839 3.5839 4.0146 4.0146 6.0368 6.0368 6.2447 6.2447 7.4084 7.4084 8.6046 8.6046 8.9971 8.9971 9.1602 9.1602 9.2135 9.2135 10.0598 10.0598 11.2243 11.2243 11.2435 11.2435 11.3781 11.3781 k =-0.3760 0.5425 0.7892 ( 4132 PWs) bands (ev): -46.6271 -46.6271 -46.6176 -46.6176 -23.3757 -23.3757 -23.3561 -23.3561 -22.7511 -22.7511 -22.7434 -22.7434 -22.6849 -22.6849 -22.6481 -22.6481 3.1328 3.1328 3.5388 3.5388 3.9657 3.9657 5.9732 5.9732 6.3666 6.3666 7.4907 7.4907 8.5646 8.5646 8.9987 8.9987 9.2773 9.2773 9.2845 9.2845 10.1058 10.1058 11.2287 11.2287 11.2393 11.2393 11.3848 11.3848 k =-0.3822 0.5236 0.7892 ( 4136 PWs) bands (ev): -46.6274 -46.6274 -46.6174 -46.6174 -23.3759 -23.3759 -23.3555 -23.3555 -22.7507 -22.7507 -22.7427 -22.7427 -22.6863 -22.6863 -22.6473 -22.6473 3.0862 3.0862 3.4959 3.4959 3.9187 3.9187 5.9121 5.9121 6.4889 6.4889 7.5692 7.5692 8.5263 8.5263 9.0008 9.0008 9.3518 9.3518 9.3951 9.3951 10.1526 10.1526 11.2253 11.2253 11.2454 11.2454 11.3904 11.3904 k =-0.3884 0.5046 0.7892 ( 4136 PWs) bands (ev): -46.6276 -46.6276 -46.6172 -46.6172 -23.3761 -23.3761 -23.3549 -23.3549 -22.7502 -22.7502 -22.7420 -22.7420 -22.6876 -22.6876 -22.6465 -22.6465 3.0419 3.0419 3.4550 3.4550 3.8739 3.8739 5.8537 5.8537 6.6114 6.6114 7.6436 7.6436 8.4898 8.4898 9.0037 9.0037 9.4192 9.4192 9.5093 9.5093 10.2000 10.2000 11.2193 11.2193 11.2574 11.2574 11.3948 11.3948 k =-0.3946 0.4857 0.7892 ( 4136 PWs) bands (ev): -46.6278 -46.6278 -46.6170 -46.6170 -23.3763 -23.3763 -23.3543 -23.3543 -22.7497 -22.7497 -22.7413 -22.7413 -22.6889 -22.6889 -22.6458 -22.6458 2.9997 2.9997 3.4163 3.4163 3.8312 3.8312 5.7980 5.7980 6.7336 6.7336 7.7133 7.7133 8.4552 8.4552 9.0078 9.0078 9.4847 9.4847 9.6205 9.6205 10.2480 10.2480 11.2133 11.2133 11.2731 11.2731 11.3983 11.3983 k =-0.4008 0.4667 0.7892 ( 4136 PWs) bands (ev): -46.6280 -46.6280 -46.6169 -46.6169 -23.3765 -23.3765 -23.3538 -23.3538 -22.7493 -22.7493 -22.7405 -22.7405 -22.6902 -22.6902 -22.6451 -22.6451 2.9598 2.9598 3.3797 3.3797 3.7906 3.7906 5.7451 5.7451 6.8552 6.8552 7.7781 7.7781 8.4223 8.4223 9.0133 9.0133 9.5483 9.5483 9.7279 9.7279 10.2965 10.2965 11.2078 11.2078 11.2927 11.2927 11.4010 11.4010 k =-0.4070 0.4478 0.7892 ( 4132 PWs) bands (ev): -46.6282 -46.6282 -46.6167 -46.6167 -23.3767 -23.3767 -23.3532 -23.3532 -22.7489 -22.7489 -22.7398 -22.7398 -22.6914 -22.6914 -22.6444 -22.6444 2.9222 2.9222 3.3453 3.3453 3.7523 3.7523 5.6951 5.6951 6.9758 6.9758 7.8376 7.8376 8.3913 8.3913 9.0204 9.0204 9.6098 9.6098 9.8304 9.8304 10.3451 10.3451 11.2030 11.2030 11.3167 11.3167 11.4031 11.4031 k =-0.4132 0.4288 0.7892 ( 4132 PWs) bands (ev): -46.6284 -46.6284 -46.6166 -46.6166 -23.3768 -23.3768 -23.3527 -23.3527 -22.7485 -22.7485 -22.7389 -22.7389 -22.6927 -22.6927 -22.6437 -22.6437 2.8870 2.8870 3.3131 3.3131 3.7163 3.7163 5.6481 5.6481 7.0948 7.0948 7.8915 7.8915 8.3622 8.3622 9.0291 9.0291 9.6688 9.6688 9.9271 9.9271 10.3938 10.3938 11.1992 11.1992 11.3458 11.3458 11.4047 11.4047 k =-0.4194 0.4099 0.7892 ( 4132 PWs) bands (ev): -46.6286 -46.6286 -46.6165 -46.6165 -23.3770 -23.3770 -23.3522 -23.3522 -22.7481 -22.7481 -22.7381 -22.7381 -22.6939 -22.6939 -22.6431 -22.6431 2.8541 2.8541 3.2830 3.2830 3.6826 3.6826 5.6040 5.6040 7.2118 7.2118 7.9399 7.9399 8.3351 8.3351 9.0395 9.0395 9.7251 9.7251 10.0167 10.0167 10.4423 10.4423 11.1963 11.1963 11.3801 11.3801 11.4065 11.4065 k =-0.4256 0.3910 0.7892 ( 4136 PWs) bands (ev): -46.6287 -46.6287 -46.6164 -46.6164 -23.3772 -23.3772 -23.3518 -23.3518 -22.7478 -22.7478 -22.7373 -22.7373 -22.6951 -22.6951 -22.6426 -22.6426 2.8235 2.8235 3.2551 3.2551 3.6513 3.6513 5.5630 5.5630 7.3261 7.3261 7.9826 7.9826 8.3098 8.3098 9.0515 9.0515 9.7786 9.7786 10.0984 10.0984 10.4903 10.4903 11.1946 11.1946 11.4040 11.4040 11.4249 11.4249 k =-0.4318 0.3720 0.7892 ( 4132 PWs) bands (ev): -46.6289 -46.6289 -46.6163 -46.6163 -23.3772 -23.3772 -23.3514 -23.3514 -22.7475 -22.7475 -22.7365 -22.7365 -22.6962 -22.6962 -22.6421 -22.6421 2.7954 2.7954 3.2295 3.2295 3.6224 3.6224 5.5251 5.5251 7.4370 7.4370 8.0198 8.0198 8.2865 8.2865 9.0648 9.0648 9.8289 9.8289 10.1713 10.1713 10.5373 10.5373 11.1943 11.1943 11.4056 11.4056 11.4720 11.4720 k =-0.4380 0.3531 0.7892 ( 4140 PWs) bands (ev): -46.6290 -46.6290 -46.6162 -46.6162 -23.3774 -23.3774 -23.3510 -23.3510 -22.7472 -22.7472 -22.7358 -22.7358 -22.6973 -22.6973 -22.6416 -22.6416 2.7696 2.7696 3.2060 3.2060 3.5959 3.5959 5.4903 5.4903 7.5438 7.5438 8.0519 8.0519 8.2652 8.2652 9.0790 9.0790 9.8758 9.8758 10.2347 10.2347 10.5830 10.5830 11.1956 11.1956 11.4060 11.4060 11.5269 11.5269 k =-0.4442 0.3341 0.7892 ( 4136 PWs) bands (ev): -46.6292 -46.6292 -46.6161 -46.6161 -23.3775 -23.3775 -23.3507 -23.3507 -22.7469 -22.7469 -22.7350 -22.7350 -22.6983 -22.6983 -22.6412 -22.6412 2.7463 2.7463 3.1848 3.1848 3.5718 3.5718 5.4588 5.4588 7.6455 7.6455 8.0790 8.0790 8.2458 8.2458 9.0938 9.0938 9.9191 9.9191 10.2887 10.2887 10.6267 10.6267 11.1987 11.1987 11.4061 11.4061 11.5880 11.5880 k =-0.4504 0.3152 0.7892 ( 4140 PWs) bands (ev): -46.6293 -46.6293 -46.6160 -46.6160 -23.3776 -23.3776 -23.3504 -23.3504 -22.7467 -22.7467 -22.7342 -22.7342 -22.6994 -22.6994 -22.6408 -22.6408 2.7254 2.7254 3.1658 3.1658 3.5502 3.5502 5.4305 5.4305 7.7412 7.7412 8.1018 8.1018 8.2285 8.2285 9.1088 9.1088 9.9586 9.9586 10.3333 10.3333 10.6678 10.6678 11.2039 11.2039 11.4060 11.4060 11.6541 11.6541 k =-0.4566 0.2963 0.7892 ( 4148 PWs) bands (ev): -46.6294 -46.6294 -46.6159 -46.6159 -23.3777 -23.3777 -23.3501 -23.3501 -22.7465 -22.7465 -22.7336 -22.7336 -22.7003 -22.7003 -22.6405 -22.6405 2.7069 2.7069 3.1490 3.1490 3.5311 3.5311 5.4054 5.4054 7.8297 7.8297 8.1205 8.1205 8.2132 8.2132 9.1233 9.1233 9.9939 9.9939 10.3692 10.3692 10.7056 10.7056 11.2113 11.2113 11.4059 11.4059 11.7229 11.7229 k =-0.4628 0.2773 0.7892 ( 4148 PWs) bands (ev): -46.6295 -46.6295 -46.6159 -46.6159 -23.3777 -23.3777 -23.3499 -23.3499 -22.7463 -22.7463 -22.7329 -22.7329 -22.7011 -22.7011 -22.6402 -22.6402 2.6909 2.6909 3.1344 3.1344 3.5145 3.5145 5.3836 5.3836 7.9100 7.9100 8.1357 8.1357 8.1999 8.1999 9.1369 9.1369 10.0250 10.0250 10.3973 10.3973 10.7395 10.7395 11.2209 11.2209 11.4056 11.4056 11.7916 11.7916 k =-0.4690 0.2584 0.7892 ( 4148 PWs) bands (ev): -46.6295 -46.6295 -46.6158 -46.6158 -23.3778 -23.3778 -23.3497 -23.3497 -22.7461 -22.7461 -22.7323 -22.7323 -22.7019 -22.7019 -22.6399 -22.6399 2.6773 2.6773 3.1221 3.1221 3.5005 3.5005 5.3652 5.3652 7.9809 7.9809 8.1477 8.1477 8.1886 8.1886 9.1493 9.1493 10.0517 10.0517 10.4186 10.4186 10.7688 10.7688 11.2324 11.2324 11.4054 11.4054 11.7963 11.7963 k =-0.4752 0.2394 0.7892 ( 4152 PWs) bands (ev): -46.6296 -46.6296 -46.6158 -46.6158 -23.3778 -23.3778 -23.3495 -23.3495 -22.7460 -22.7460 -22.7318 -22.7318 -22.7025 -22.7025 -22.6397 -22.6397 2.6662 2.6662 3.1120 3.1120 3.4890 3.4890 5.3500 5.3500 8.0410 8.0410 8.1570 8.1570 8.1794 8.1794 9.1600 9.1600 10.0737 10.0737 10.4342 10.4342 10.7931 10.7931 11.2452 11.2452 11.4052 11.4052 11.7714 11.7714 k =-0.4814 0.2205 0.7892 ( 4148 PWs) bands (ev): -46.6297 -46.6297 -46.6157 -46.6157 -23.3779 -23.3779 -23.3494 -23.3494 -22.7459 -22.7459 -22.7314 -22.7314 -22.7030 -22.7030 -22.6395 -22.6395 2.6576 2.6576 3.1041 3.1041 3.4800 3.4800 5.3382 5.3382 8.0892 8.0892 8.1639 8.1639 8.1723 8.1723 9.1686 9.1686 10.0910 10.0910 10.4450 10.4450 10.8120 10.8120 11.2581 11.2581 11.4050 11.4050 11.7490 11.7490 k =-0.4876 0.2016 0.7892 ( 4148 PWs) bands (ev): -46.6297 -46.6297 -46.6157 -46.6157 -23.3779 -23.3779 -23.3493 -23.3493 -22.7458 -22.7458 -22.7311 -22.7311 -22.7034 -22.7034 -22.6394 -22.6394 2.6514 2.6514 3.0985 3.0985 3.4736 3.4736 5.3298 5.3298 8.1244 8.1244 8.1672 8.1672 8.1687 8.1687 9.1749 9.1749 10.1035 10.1035 10.4520 10.4520 10.8254 10.8254 11.2694 11.2694 11.4048 11.4048 11.7309 11.7309 k =-0.4938 0.1826 0.7892 ( 4144 PWs) bands (ev): -46.6297 -46.6297 -46.6157 -46.6157 -23.3779 -23.3779 -23.3492 -23.3492 -22.7457 -22.7457 -22.7308 -22.7308 -22.7036 -22.7036 -22.6394 -22.6394 2.6477 2.6477 3.0951 3.0951 3.4698 3.4698 5.3248 5.3248 8.1457 8.1457 8.1643 8.1643 8.1715 8.1715 9.1788 9.1788 10.1110 10.1110 10.4560 10.4560 10.8334 10.8334 11.2772 11.2772 11.4047 11.4047 11.7190 11.7190 k =-0.5000 0.1637 0.7892 ( 4144 PWs) bands (ev): -46.6297 -46.6297 -46.6157 -46.6157 -23.3779 -23.3779 -23.3492 -23.3492 -22.7457 -22.7457 -22.7308 -22.7308 -22.7037 -22.7037 -22.6393 -22.6393 2.6464 2.6464 3.0940 3.0940 3.4685 3.4685 5.3231 5.3231 8.1526 8.1526 8.1636 8.1636 8.1724 8.1724 9.1801 9.1801 10.1135 10.1135 10.4572 10.4572 10.8361 10.8361 11.2800 11.2800 11.4047 11.4047 11.7149 11.7149 k =-0.5000 0.1637 0.7892 ( 4144 PWs) bands (ev): -46.6297 -46.6297 -46.6157 -46.6157 -23.3779 -23.3779 -23.3492 -23.3492 -22.7457 -22.7457 -22.7308 -22.7308 -22.7037 -22.7037 -22.6393 -22.6393 2.6464 2.6464 3.0940 3.0940 3.4685 3.4685 5.3231 5.3231 8.1526 8.1526 8.1636 8.1636 8.1724 8.1724 9.1801 9.1801 10.1135 10.1135 10.4572 10.4572 10.8361 10.8361 11.2800 11.2800 11.4047 11.4047 11.7149 11.7149 k =-0.5000 0.1637 0.7689 ( 4148 PWs) bands (ev): -46.6297 -46.6297 -46.6157 -46.6157 -23.3779 -23.3779 -23.3492 -23.3492 -22.7457 -22.7457 -22.7308 -22.7308 -22.7037 -22.7037 -22.6394 -22.6394 2.6340 2.6340 3.0896 3.0896 3.4832 3.4832 5.3293 5.3293 8.1534 8.1534 8.1644 8.1644 8.1703 8.1703 9.1792 9.1792 10.1145 10.1145 10.4557 10.4557 10.8335 10.8335 11.2796 11.2796 11.3921 11.3921 11.7147 11.7147 k =-0.5000 0.1637 0.7487 ( 4152 PWs) bands (ev): -46.6297 -46.6297 -46.6157 -46.6157 -23.3779 -23.3779 -23.3492 -23.3492 -22.7457 -22.7457 -22.7308 -22.7308 -22.7037 -22.7037 -22.6394 -22.6394 2.5990 2.5990 3.0765 3.0765 3.5250 3.5250 5.3478 5.3478 8.1555 8.1555 8.1643 8.1643 8.1669 8.1669 9.1764 9.1764 10.1176 10.1176 10.4509 10.4509 10.8259 10.8259 11.2786 11.2786 11.3589 11.3589 11.7141 11.7141 k =-0.5000 0.1637 0.7285 ( 4156 PWs) bands (ev): -46.6297 -46.6297 -46.6157 -46.6157 -23.3779 -23.3779 -23.3491 -23.3491 -22.7457 -22.7457 -22.7307 -22.7307 -22.7038 -22.7038 -22.6394 -22.6394 2.5471 2.5471 3.0552 3.0552 3.5884 3.5884 5.3781 5.3781 8.1542 8.1542 8.1592 8.1592 8.1709 8.1709 9.1718 9.1718 10.1227 10.1227 10.4419 10.4419 10.8133 10.8133 11.2768 11.2768 11.3146 11.3146 11.7132 11.7132 k =-0.5000 0.1637 0.7082 ( 4156 PWs) bands (ev): -46.6297 -46.6297 -46.6157 -46.6157 -23.3778 -23.3778 -23.3491 -23.3491 -22.7456 -22.7456 -22.7306 -22.7306 -22.7038 -22.7038 -22.6394 -22.6394 2.4838 2.4838 3.0264 3.0264 3.6677 3.6677 5.4194 5.4194 8.1405 8.1405 8.1641 8.1641 8.1766 8.1766 9.1655 9.1655 10.1299 10.1299 10.4273 10.4273 10.7959 10.7959 11.2676 11.2676 11.2748 11.2748 11.7119 11.7119 k =-0.5000 0.1637 0.6880 ( 4160 PWs) bands (ev): -46.6297 -46.6297 -46.6157 -46.6157 -23.3778 -23.3778 -23.3490 -23.3490 -22.7455 -22.7455 -22.7305 -22.7305 -22.7038 -22.7038 -22.6394 -22.6394 2.4137 2.4137 2.9909 2.9909 3.7585 3.7585 5.4709 5.4709 8.1232 8.1232 8.1705 8.1705 8.1839 8.1839 9.1576 9.1576 10.1392 10.1392 10.4055 10.4055 10.7739 10.7739 11.2250 11.2250 11.2717 11.2717 11.7102 11.7102 k =-0.5000 0.1637 0.6677 ( 4158 PWs) bands (ev): -46.6298 -46.6298 -46.6157 -46.6157 -23.3777 -23.3777 -23.3489 -23.3489 -22.7454 -22.7454 -22.7303 -22.7303 -22.7038 -22.7038 -22.6394 -22.6394 2.3396 2.3396 2.9498 2.9498 3.8577 3.8577 5.5314 5.5314 8.1028 8.1028 8.1781 8.1781 8.1928 8.1928 9.1484 9.1484 10.1504 10.1504 10.3750 10.3750 10.7477 10.7477 11.1906 11.1906 11.2683 11.2683 11.7082 11.7082 k =-0.5000 0.1637 0.6475 ( 4144 PWs) bands (ev): -46.6298 -46.6298 -46.6157 -46.6157 -23.3776 -23.3776 -23.3487 -23.3487 -22.7451 -22.7451 -22.7300 -22.7300 -22.7038 -22.7038 -22.6394 -22.6394 2.2635 2.2635 2.9041 2.9041 3.9634 3.9634 5.6001 5.6001 8.0795 8.0795 8.1869 8.1869 8.2033 8.2033 9.1380 9.1380 10.1636 10.1636 10.3349 10.3349 10.7174 10.7174 11.1667 11.1667 11.2646 11.2646 11.7058 11.7058 k =-0.5000 0.1637 0.6273 ( 4146 PWs) bands (ev): -46.6298 -46.6298 -46.6157 -46.6157 -23.3775 -23.3775 -23.3485 -23.3485 -22.7450 -22.7450 -22.7298 -22.7298 -22.7038 -22.7038 -22.6394 -22.6394 2.1869 2.1869 2.8545 2.8545 4.0742 4.0742 5.6758 5.6758 8.0536 8.0536 8.1968 8.1968 8.2153 8.2153 9.1267 9.1267 10.1788 10.1788 10.2855 10.2855 10.6834 10.6834 11.1542 11.1542 11.2605 11.2605 11.7030 11.7030 k =-0.5000 0.1637 0.6070 ( 4146 PWs) bands (ev): -46.6298 -46.6298 -46.6158 -46.6158 -23.3774 -23.3774 -23.3484 -23.3484 -22.7447 -22.7447 -22.7296 -22.7296 -22.7038 -22.7038 -22.6395 -22.6395 2.1105 2.1105 2.8021 2.8021 4.1891 4.1891 5.7577 5.7577 8.0256 8.0256 8.2077 8.2077 8.2289 8.2289 9.1148 9.1148 10.1955 10.1955 10.2282 10.2282 10.6462 10.6462 11.1525 11.1525 11.2563 11.2563 11.6998 11.6998 k =-0.5000 0.1637 0.5868 ( 4154 PWs) bands (ev): -46.6298 -46.6298 -46.6158 -46.6158 -23.3773 -23.3773 -23.3482 -23.3482 -22.7445 -22.7445 -22.7294 -22.7294 -22.7039 -22.7039 -22.6395 -22.6395 2.0349 2.0349 2.7475 2.7475 4.3076 4.3076 5.8449 5.8449 7.9957 7.9957 8.2194 8.2194 8.2440 8.2440 9.1025 9.1025 10.1623 10.1623 10.2157 10.2157 10.6061 10.6061 11.1602 11.1602 11.2520 11.2520 11.6963 11.6963 k =-0.5000 0.1637 0.5666 ( 4158 PWs) bands (ev): -46.6298 -46.6298 -46.6158 -46.6158 -23.3772 -23.3772 -23.3481 -23.3481 -22.7443 -22.7443 -22.7291 -22.7291 -22.7040 -22.7040 -22.6396 -22.6396 1.9607 1.9607 2.6915 2.6915 4.4291 4.4291 5.9365 5.9365 7.9643 7.9643 8.2318 8.2318 8.2605 8.2605 9.0902 9.0902 10.0926 10.0926 10.2364 10.2364 10.5635 10.5635 11.1756 11.1756 11.2477 11.2477 11.6923 11.6923 k =-0.5000 0.1637 0.5463 ( 4140 PWs) bands (ev): -46.6298 -46.6298 -46.6158 -46.6158 -23.3770 -23.3770 -23.3478 -23.3478 -22.7440 -22.7440 -22.7288 -22.7288 -22.7039 -22.7039 -22.6395 -22.6395 1.8881 1.8881 2.6346 2.6346 4.5533 4.5533 6.0319 6.0319 7.9318 7.9318 8.2448 8.2448 8.2783 8.2783 9.0783 9.0783 10.0191 10.0191 10.2592 10.2592 10.5187 10.5187 11.1969 11.1969 11.2438 11.2438 11.6880 11.6880 k =-0.5000 0.1637 0.5261 ( 4142 PWs) bands (ev): -46.6298 -46.6298 -46.6158 -46.6158 -23.3769 -23.3769 -23.3476 -23.3476 -22.7437 -22.7437 -22.7285 -22.7285 -22.7040 -22.7040 -22.6396 -22.6396 1.8173 1.8173 2.5773 2.5773 4.6798 4.6798 6.1304 6.1304 7.8984 7.8984 8.2580 8.2580 8.2976 8.2976 9.0670 9.0670 9.9431 9.9431 10.2837 10.2837 10.4721 10.4721 11.2212 11.2212 11.2419 11.2419 11.6832 11.6832 k =-0.5000 0.1637 0.5059 ( 4130 PWs) bands (ev): -46.6299 -46.6299 -46.6159 -46.6159 -23.3767 -23.3767 -23.3474 -23.3474 -22.7433 -22.7433 -22.7281 -22.7281 -22.7040 -22.7040 -22.6396 -22.6396 1.7486 1.7486 2.5202 2.5202 4.8085 4.8085 6.2315 6.2315 7.8645 7.8645 8.2713 8.2713 8.3181 8.3181 9.0569 9.0569 9.8658 9.8658 10.3097 10.3097 10.4243 10.4243 11.2315 11.2315 11.2580 11.2580 11.6780 11.6780 k =-0.5000 0.1637 0.4856 ( 4126 PWs) bands (ev): -46.6299 -46.6299 -46.6159 -46.6159 -23.3765 -23.3765 -23.3471 -23.3471 -22.7430 -22.7430 -22.7278 -22.7278 -22.7040 -22.7040 -22.6396 -22.6396 1.6820 1.6820 2.4635 2.4635 4.9391 4.9391 6.3344 6.3344 7.8303 7.8303 8.2844 8.2844 8.3398 8.3398 9.0483 9.0483 9.7879 9.7879 10.3360 10.3360 10.3767 10.3767 11.2295 11.2295 11.2895 11.2895 11.6724 11.6724 k =-0.5000 0.1637 0.4654 ( 4126 PWs) bands (ev): -46.6299 -46.6299 -46.6159 -46.6159 -23.3763 -23.3763 -23.3469 -23.3469 -22.7427 -22.7427 -22.7275 -22.7275 -22.7041 -22.7041 -22.6396 -22.6396 1.6177 1.6177 2.4076 2.4076 5.0714 5.0714 6.4389 6.4389 7.7961 7.7961 8.2971 8.2971 8.3626 8.3626 9.0416 9.0416 9.7101 9.7101 10.3213 10.3213 10.3708 10.3708 11.2269 11.2269 11.3241 11.3241 11.6661 11.6661 k =-0.5000 0.1637 0.4452 ( 4122 PWs) bands (ev): -46.6299 -46.6299 -46.6159 -46.6159 -23.3762 -23.3762 -23.3467 -23.3467 -22.7423 -22.7423 -22.7271 -22.7271 -22.7041 -22.7041 -22.6397 -22.6397 1.5557 1.5557 2.3527 2.3527 5.2052 5.2052 6.5443 6.5443 7.7620 7.7620 8.3089 8.3089 8.3864 8.3864 9.0373 9.0373 9.6327 9.6327 10.2716 10.2716 10.4007 10.4007 11.2247 11.2247 11.3603 11.3603 11.6489 11.6489 k =-0.5000 0.1637 0.4249 ( 4126 PWs) bands (ev): -46.6299 -46.6299 -46.6159 -46.6159 -23.3760 -23.3760 -23.3464 -23.3464 -22.7420 -22.7420 -22.7267 -22.7267 -22.7042 -22.7042 -22.6397 -22.6397 1.4962 1.4962 2.2992 2.2992 5.3403 5.3403 6.6501 6.6501 7.7284 7.7284 8.3197 8.3197 8.4111 8.4111 9.0357 9.0357 9.5562 9.5562 10.2203 10.2203 10.4332 10.4332 11.2232 11.2232 11.3974 11.3974 11.5763 11.5763 k =-0.5000 0.1637 0.4047 ( 4128 PWs) bands (ev): -46.6300 -46.6300 -46.6160 -46.6160 -23.3758 -23.3758 -23.3462 -23.3462 -22.7417 -22.7417 -22.7264 -22.7264 -22.7042 -22.7042 -22.6398 -22.6398 1.4392 1.4392 2.2472 2.2472 5.4764 5.4764 6.7561 6.7561 7.6954 7.6954 8.3291 8.3291 8.4367 8.4367 9.0372 9.0372 9.4806 9.4806 10.1686 10.1686 10.4673 10.4673 11.2227 11.2227 11.4350 11.4350 11.5021 11.5021 k =-0.5000 0.1637 0.3845 ( 4128 PWs) bands (ev): -46.6300 -46.6300 -46.6160 -46.6160 -23.3757 -23.3757 -23.3460 -23.3460 -22.7413 -22.7413 -22.7260 -22.7260 -22.7043 -22.7043 -22.6398 -22.6398 1.3847 1.3847 2.1969 2.1969 5.6135 5.6135 6.8616 6.8616 7.6631 7.6631 8.3370 8.3370 8.4629 8.4629 9.0422 9.0422 9.4063 9.4063 10.1166 10.1166 10.5028 10.5028 11.2233 11.2233 11.4277 11.4277 11.4727 11.4727 k =-0.5000 0.1637 0.3642 ( 4118 PWs) bands (ev): -46.6300 -46.6300 -46.6160 -46.6160 -23.3755 -23.3755 -23.3457 -23.3457 -22.7410 -22.7410 -22.7257 -22.7257 -22.7042 -22.7042 -22.6399 -22.6399 1.3328 1.3328 2.1485 2.1485 5.7513 5.7513 6.9662 6.9662 7.6317 7.6317 8.3432 8.3432 8.4896 8.4896 9.0507 9.0507 9.3332 9.3332 10.0647 10.0647 10.5395 10.5395 11.2252 11.2252 11.3535 11.3535 11.5101 11.5101 k =-0.5000 0.1637 0.3440 ( 4122 PWs) bands (ev): -46.6300 -46.6300 -46.6160 -46.6160 -23.3753 -23.3753 -23.3455 -23.3455 -22.7406 -22.7406 -22.7253 -22.7253 -22.7043 -22.7043 -22.6399 -22.6399 1.2836 1.2836 2.1021 2.1021 5.8895 5.8895 7.0696 7.0696 7.6014 7.6014 8.3477 8.3477 8.5166 8.5166 9.0629 9.0629 9.2615 9.2615 10.0128 10.0128 10.5774 10.5774 11.2279 11.2279 11.2802 11.2802 11.5470 11.5470 k =-0.5000 0.1637 0.3238 ( 4124 PWs) bands (ev): -46.6301 -46.6301 -46.6161 -46.6161 -23.3751 -23.3751 -23.3453 -23.3453 -22.7403 -22.7403 -22.7250 -22.7250 -22.7043 -22.7043 -22.6400 -22.6400 1.2370 1.2370 2.0579 2.0579 6.0279 6.0279 7.1713 7.1713 7.5723 7.5723 8.3503 8.3503 8.5439 8.5439 9.0788 9.0788 9.1910 9.1910 9.9613 9.9613 10.6163 10.6163 11.2030 11.2030 11.2366 11.2366 11.5829 11.5829 k =-0.5000 0.1637 0.3035 ( 4124 PWs) bands (ev): -46.6301 -46.6301 -46.6161 -46.6161 -23.3750 -23.3750 -23.3451 -23.3451 -22.7400 -22.7400 -22.7247 -22.7247 -22.7043 -22.7043 -22.6400 -22.6400 1.1931 1.1931 2.0159 2.0159 6.1662 6.1662 7.2709 7.2709 7.5445 7.5445 8.3514 8.3514 8.5711 8.5711 9.0980 9.0980 9.1220 9.1220 9.9102 9.9102 10.6560 10.6560 11.1315 11.1315 11.2420 11.2420 11.5977 11.5977 k =-0.5000 0.1637 0.2833 ( 4112 PWs) bands (ev): -46.6301 -46.6301 -46.6161 -46.6161 -23.3748 -23.3748 -23.3448 -23.3448 -22.7396 -22.7396 -22.7243 -22.7243 -22.7043 -22.7043 -22.6400 -22.6400 1.1520 1.1520 1.9762 1.9762 6.3043 6.3043 7.3679 7.3679 7.5181 7.5181 8.3509 8.3509 8.5982 8.5982 9.0531 9.0531 9.1214 9.1214 9.8597 9.8597 10.6965 10.6965 11.0596 11.0596 11.2505 11.2505 11.5864 11.5864 k =-0.5000 0.1637 0.2631 ( 4114 PWs) bands (ev): -46.6301 -46.6301 -46.6161 -46.6161 -23.3746 -23.3746 -23.3446 -23.3446 -22.7393 -22.7393 -22.7240 -22.7240 -22.7044 -22.7044 -22.6401 -22.6401 1.1136 1.1136 1.9390 1.9390 6.4416 6.4416 7.4620 7.4620 7.4932 7.4932 8.3492 8.3492 8.6248 8.6248 8.9858 8.9858 9.1473 9.1473 9.8098 9.8098 10.7375 10.7375 10.9886 10.9886 11.2611 11.2611 11.5739 11.5739 k =-0.5000 0.1637 0.2428 ( 4126 PWs) bands (ev): -46.6302 -46.6302 -46.6161 -46.6161 -23.3745 -23.3745 -23.3445 -23.3445 -22.7391 -22.7391 -22.7237 -22.7237 -22.7044 -22.7044 -22.6401 -22.6401 1.0779 1.0779 1.9042 1.9042 6.5780 6.5780 7.4697 7.4697 7.5527 7.5527 8.3464 8.3464 8.6508 8.6508 8.9190 8.9190 9.1760 9.1760 9.7608 9.7608 10.7790 10.7790 10.9189 10.9189 11.2735 11.2735 11.5605 11.5605 k =-0.5000 0.1637 0.2226 ( 4126 PWs) bands (ev): -46.6302 -46.6302 -46.6162 -46.6162 -23.3744 -23.3744 -23.3443 -23.3443 -22.7388 -22.7388 -22.7235 -22.7235 -22.7045 -22.7045 -22.6402 -22.6402 1.0451 1.0451 1.8720 1.8720 6.7130 6.7130 7.4480 7.4480 7.6395 7.6395 8.3429 8.3429 8.6759 8.6759 8.8526 8.8526 9.2069 9.2069 9.7129 9.7129 10.8203 10.8203 10.8511 10.8511 11.2876 11.2876 11.5460 11.5460 k =-0.5000 0.1637 0.2023 ( 4130 PWs) bands (ev): -46.6302 -46.6302 -46.6162 -46.6162 -23.3742 -23.3742 -23.3441 -23.3441 -22.7385 -22.7385 -22.7232 -22.7232 -22.7045 -22.7045 -22.6402 -22.6402 1.0150 1.0150 1.8425 1.8425 6.8463 6.8463 7.4279 7.4279 7.7220 7.7220 8.3389 8.3389 8.7000 8.7000 8.7862 8.7862 9.2397 9.2397 9.6663 9.6663 10.7842 10.7842 10.8626 10.8626 11.3033 11.3033 11.5304 11.5304 k =-0.5000 0.1637 0.1821 ( 4122 PWs) bands (ev): -46.6302 -46.6302 -46.6162 -46.6162 -23.3741 -23.3741 -23.3439 -23.3439 -22.7383 -22.7383 -22.7229 -22.7229 -22.7045 -22.7045 -22.6402 -22.6402 0.9878 0.9878 1.8156 1.8156 6.9775 6.9775 7.4096 7.4096 7.7996 7.7996 8.3345 8.3345 8.7183 8.7183 8.7239 8.7239 9.2738 9.2738 9.6212 9.6212 10.7204 10.7204 10.9041 10.9041 11.3201 11.3201 11.5138 11.5138 k =-0.5000 0.1637 0.1619 ( 4124 PWs) bands (ev): -46.6302 -46.6302 -46.6162 -46.6162 -23.3740 -23.3740 -23.3438 -23.3438 -22.7381 -22.7381 -22.7227 -22.7227 -22.7045 -22.7045 -22.6403 -22.6403 0.9634 0.9634 1.7914 1.7914 7.1061 7.1061 7.3931 7.3931 7.8720 7.8720 8.3301 8.3301 8.6519 8.6519 8.7442 8.7442 9.3085 9.3085 9.5781 9.5781 10.6593 10.6593 10.9451 10.9451 11.3376 11.3376 11.4960 11.4960 k =-0.5000 0.1637 0.1416 ( 4120 PWs) bands (ev): -46.6302 -46.6302 -46.6162 -46.6162 -23.3739 -23.3739 -23.3436 -23.3436 -22.7379 -22.7379 -22.7225 -22.7225 -22.7045 -22.7045 -22.6403 -22.6403 0.9419 0.9419 1.7700 1.7700 7.2317 7.2317 7.3785 7.3785 7.9384 7.9384 8.3258 8.3258 8.5832 8.5832 8.7638 8.7638 9.3432 9.3432 9.5373 9.5373 10.6016 10.6016 10.9854 10.9854 11.3553 11.3553 11.4771 11.4771 k =-0.5000 0.1637 0.1214 ( 4124 PWs) bands (ev): -46.6302 -46.6302 -46.6162 -46.6162 -23.3738 -23.3738 -23.3435 -23.3435 -22.7377 -22.7377 -22.7223 -22.7223 -22.7046 -22.7046 -22.6403 -22.6403 0.9232 0.9232 1.7514 1.7514 7.3535 7.3535 7.3659 7.3659 7.9983 7.9983 8.3218 8.3218 8.5130 8.5130 8.7815 8.7815 9.3771 9.3771 9.4995 9.4995 10.5480 10.5480 11.0247 11.0247 11.3725 11.3725 11.4573 11.4573 k =-0.5000 0.1637 0.1012 ( 4132 PWs) bands (ev): -46.6303 -46.6303 -46.6163 -46.6163 -23.3738 -23.3738 -23.3435 -23.3435 -22.7376 -22.7376 -22.7222 -22.7222 -22.7046 -22.7046 -22.6404 -22.6404 0.9073 0.9073 1.7356 1.7356 7.3548 7.3548 7.4718 7.4718 8.0509 8.0509 8.3181 8.3181 8.4407 8.4407 8.7972 8.7972 9.4090 9.4090 9.4653 9.4653 10.4995 10.4995 11.0624 11.0624 11.3881 11.3881 11.4373 11.4373 k =-0.5000 0.1637 0.0809 ( 4128 PWs) bands (ev): -46.6303 -46.6303 -46.6163 -46.6163 -23.3737 -23.3737 -23.3434 -23.3434 -22.7374 -22.7374 -22.7221 -22.7221 -22.7046 -22.7046 -22.6404 -22.6404 0.8944 0.8944 1.7226 1.7226 7.3459 7.3459 7.5852 7.5852 8.0956 8.0956 8.3150 8.3150 8.3662 8.3662 8.8105 8.8105 9.4355 9.4355 9.4380 9.4380 10.4570 10.4570 11.0979 11.0979 11.3984 11.3984 11.4203 11.4203 k =-0.5000 0.1637 0.0607 ( 4132 PWs) bands (ev): -46.6303 -46.6303 -46.6163 -46.6163 -23.3737 -23.3737 -23.3433 -23.3433 -22.7374 -22.7374 -22.7220 -22.7220 -22.7046 -22.7046 -22.6404 -22.6404 0.8843 0.8843 1.7125 1.7125 7.3390 7.3390 7.6929 7.6929 8.1313 8.1313 8.2895 8.2895 8.3125 8.3125 8.8212 8.8212 9.4109 9.4109 9.4626 9.4626 10.4220 10.4220 11.1303 11.1303 11.3888 11.3888 11.4211 11.4211 k =-0.5000 0.1637 0.0405 ( 4134 PWs) bands (ev): -46.6303 -46.6303 -46.6163 -46.6163 -23.3736 -23.3736 -23.3433 -23.3433 -22.7373 -22.7373 -22.7219 -22.7219 -22.7046 -22.7046 -22.6405 -22.6405 0.8771 0.8771 1.7053 1.7053 7.3340 7.3340 7.7933 7.7933 8.1576 8.1576 8.2120 8.2120 8.3107 8.3107 8.8291 8.8291 9.3925 9.3925 9.4815 9.4815 10.3956 10.3956 11.1578 11.1578 11.3711 11.3711 11.4288 11.4288 k =-0.5000 0.1637 0.0202 ( 4142 PWs) bands (ev): -46.6303 -46.6303 -46.6163 -46.6163 -23.3737 -23.3737 -23.3433 -23.3433 -22.7373 -22.7373 -22.7219 -22.7219 -22.7047 -22.7047 -22.6405 -22.6405 0.8727 0.8727 1.7009 1.7009 7.3310 7.3310 7.8798 7.8798 8.1393 8.1393 8.1736 8.1736 8.3095 8.3095 8.8340 8.8340 9.3811 9.3811 9.4935 9.4935 10.3792 10.3792 11.1772 11.1772 11.3570 11.3570 11.4342 11.4342 k =-0.5000 0.1637 0.0000 ( 4142 PWs) bands (ev): -46.6303 -46.6303 -46.6163 -46.6163 -23.3736 -23.3736 -23.3433 -23.3433 -22.7373 -22.7373 -22.7219 -22.7219 -22.7047 -22.7047 -22.6405 -22.6405 0.8713 0.8713 1.6995 1.6995 7.3300 7.3300 7.9233 7.9233 8.1005 8.1005 8.1790 8.1790 8.3091 8.3091 8.8357 8.8357 9.3772 9.3772 9.4976 9.4976 10.3736 10.3736 11.1845 11.1845 11.3514 11.3514 11.4360 11.4360 k = 0.0000 0.0000 0.7892 ( 4126 PWs) bands (ev): -46.6312 -46.6312 -46.6142 -46.6142 -23.3836 -23.3836 -23.3448 -23.3448 -22.7463 -22.7463 -22.7304 -22.7304 -22.7178 -22.7178 -22.6230 -22.6230 2.0132 2.0132 3.0250 3.0250 4.8276 4.8276 5.9868 5.9868 6.8533 6.8533 7.6076 7.6076 8.6313 8.6313 9.1797 9.1797 9.6724 9.6724 10.2825 10.2825 10.3075 10.3075 11.0818 11.0818 11.2021 11.2021 11.4158 11.4158 k =-0.0192 0.0063 0.7892 ( 4132 PWs) bands (ev): -46.6312 -46.6312 -46.6142 -46.6142 -23.3836 -23.3836 -23.3448 -23.3448 -22.7463 -22.7463 -22.7305 -22.7305 -22.7178 -22.7178 -22.6231 -22.6231 2.0144 2.0144 3.0263 3.0263 4.8160 4.8160 5.9998 5.9998 6.8419 6.8419 7.6163 7.6163 8.6272 8.6272 9.1851 9.1851 9.6682 9.6682 10.2856 10.2856 10.3114 10.3114 11.0822 11.0822 11.2000 11.2000 11.4171 11.4171 k =-0.0385 0.0126 0.7892 ( 4140 PWs) bands (ev): -46.6312 -46.6312 -46.6142 -46.6142 -23.3836 -23.3836 -23.3449 -23.3449 -22.7463 -22.7463 -22.7305 -22.7305 -22.7177 -22.7177 -22.6233 -22.6233 2.0180 2.0180 3.0299 3.0299 4.7830 4.7830 6.0375 6.0375 6.8094 6.8094 7.6408 7.6408 8.6154 8.6154 9.2009 9.2009 9.6563 9.6563 10.2922 10.2922 10.3251 10.3251 11.0833 11.0833 11.1941 11.1941 11.4211 11.4211 k =-0.0577 0.0189 0.7892 ( 4140 PWs) bands (ev): -46.6312 -46.6312 -46.6142 -46.6142 -23.3835 -23.3835 -23.3449 -23.3449 -22.7463 -22.7463 -22.7306 -22.7306 -22.7174 -22.7174 -22.6235 -22.6235 2.0240 2.0240 3.0359 3.0359 4.7320 4.7320 6.0960 6.0960 6.7597 6.7597 7.6770 7.6770 8.5972 8.5972 9.2258 9.2258 9.6377 9.6377 10.2994 10.2994 10.3505 10.3505 11.0852 11.0852 11.1844 11.1844 11.4271 11.4271 k =-0.0769 0.0252 0.7892 ( 4134 PWs) bands (ev): -46.6311 -46.6311 -46.6143 -46.6143 -23.3833 -23.3833 -23.3450 -23.3450 -22.7462 -22.7462 -22.7306 -22.7306 -22.7171 -22.7171 -22.6239 -22.6239 2.0324 2.0324 3.0443 3.0443 4.6676 4.6676 6.1710 6.1710 6.6972 6.6972 7.7206 7.7206 8.5742 8.5742 9.2582 9.2582 9.6142 9.6142 10.3077 10.3077 10.3859 10.3859 11.0877 11.0877 11.1716 11.1716 11.4344 11.4344 k =-0.0962 0.0315 0.7892 ( 4138 PWs) bands (ev): -46.6311 -46.6311 -46.6143 -46.6143 -23.3832 -23.3832 -23.3451 -23.3451 -22.7462 -22.7462 -22.7307 -22.7307 -22.7167 -22.7167 -22.6243 -22.6243 2.0432 2.0432 3.0550 3.0550 4.5936 4.5936 6.2585 6.2585 6.6258 6.6258 7.7678 7.7678 8.5478 8.5478 9.2964 9.2964 9.5872 9.5872 10.3180 10.3180 10.4290 10.4290 11.0905 11.0905 11.1560 11.1560 11.4420 11.4420 k =-0.1154 0.0378 0.7892 ( 4130 PWs) bands (ev): -46.6310 -46.6310 -46.6144 -46.6144 -23.3829 -23.3829 -23.3452 -23.3452 -22.7461 -22.7461 -22.7308 -22.7308 -22.7162 -22.7162 -22.6248 -22.6248 2.0564 2.0564 3.0679 3.0679 4.5131 4.5131 6.3552 6.3552 6.5483 6.5483 7.8159 7.8159 8.5194 8.5194 9.3391 9.3391 9.5580 9.5580 10.3311 10.3311 10.4783 10.4783 11.0930 11.0930 11.1388 11.1388 11.4492 11.4492 k =-0.1346 0.0441 0.7892 ( 4130 PWs) bands (ev): -46.6310 -46.6310 -46.6144 -46.6144 -23.3827 -23.3827 -23.3454 -23.3454 -22.7461 -22.7461 -22.7308 -22.7308 -22.7156 -22.7156 -22.6254 -22.6254 2.0720 2.0720 3.0831 3.0831 4.4284 4.4284 6.4579 6.4579 6.4674 6.4674 7.8628 7.8628 8.4899 8.4899 9.3851 9.3851 9.5277 9.5277 10.3473 10.3473 10.5325 10.5325 11.0918 11.0918 11.1234 11.1234 11.4554 11.4554 k =-0.1538 0.0504 0.7892 ( 4126 PWs) bands (ev): -46.6309 -46.6309 -46.6145 -46.6145 -23.3825 -23.3825 -23.3456 -23.3456 -22.7460 -22.7460 -22.7309 -22.7309 -22.7150 -22.7150 -22.6261 -22.6261 2.0899 2.0899 3.1002 3.1002 4.3413 4.3413 6.3826 6.3826 6.5672 6.5672 7.9073 7.9073 8.4601 8.4601 9.4336 9.4336 9.4970 9.4970 10.3668 10.3668 10.5908 10.5908 11.0787 11.0787 11.1182 11.1182 11.4601 11.4601 k =-0.1731 0.0567 0.7892 ( 4118 PWs) bands (ev): -46.6308 -46.6308 -46.6146 -46.6146 -23.3822 -23.3822 -23.3458 -23.3458 -22.7459 -22.7459 -22.7310 -22.7310 -22.7143 -22.7143 -22.6268 -22.6268 2.1102 2.1102 3.1194 3.1194 4.2529 4.2529 6.2973 6.2973 6.6793 6.6793 7.9485 7.9485 8.4305 8.4305 9.4654 9.4654 9.4851 9.4851 10.3899 10.3899 10.6524 10.6524 11.0552 11.0552 11.1217 11.1217 11.4632 11.4632 k =-0.1923 0.0630 0.7892 ( 4122 PWs) bands (ev): -46.6307 -46.6307 -46.6146 -46.6146 -23.3819 -23.3819 -23.3460 -23.3460 -22.7459 -22.7459 -22.7310 -22.7310 -22.7136 -22.7136 -22.6276 -22.6276 2.1327 2.1327 3.1403 3.1403 4.1640 4.1640 6.2116 6.2116 6.7938 6.7938 7.9858 7.9858 8.4015 8.4015 9.4362 9.4362 9.5361 9.5361 10.4163 10.4163 10.7170 10.7170 11.0270 11.0270 11.1282 11.1282 11.4645 11.4645 k =-0.2115 0.0692 0.7892 ( 4112 PWs) bands (ev): -46.6306 -46.6306 -46.6147 -46.6147 -23.3816 -23.3816 -23.3462 -23.3462 -22.7458 -22.7458 -22.7311 -22.7311 -22.7128 -22.7128 -22.6284 -22.6284 2.1576 2.1576 3.1629 3.1629 4.0754 4.0754 6.1264 6.1264 6.9099 6.9099 8.0190 8.0190 8.3735 8.3735 9.4073 9.4073 9.5882 9.5882 10.4458 10.4458 10.7839 10.7839 10.9955 10.9955 11.1362 11.1362 11.4644 11.4644 k =-0.2308 0.0755 0.7892 ( 4118 PWs) bands (ev): -46.6306 -46.6306 -46.6148 -46.6148 -23.3812 -23.3812 -23.3465 -23.3465 -22.7458 -22.7458 -22.7311 -22.7311 -22.7120 -22.7120 -22.6294 -22.6294 2.1846 2.1846 3.1868 3.1868 3.9875 3.9875 6.0422 6.0422 7.0267 7.0267 8.0481 8.0481 8.3466 8.3466 9.3796 9.3796 9.6406 9.6406 10.4781 10.4781 10.8529 10.8529 10.9612 10.9612 11.1453 11.1453 11.4628 11.4628 k =-0.2500 0.0818 0.7892 ( 4132 PWs) bands (ev): -46.6305 -46.6305 -46.6149 -46.6149 -23.3810 -23.3810 -23.3467 -23.3467 -22.7458 -22.7458 -22.7311 -22.7311 -22.7113 -22.7113 -22.6303 -22.6303 2.2139 2.2139 3.2120 3.2120 3.9007 3.9007 5.9598 5.9598 7.1434 7.1434 8.0731 8.0731 8.3212 8.3212 9.3533 9.3533 9.6927 9.6927 10.5125 10.5125 10.9181 10.9181 10.9297 10.9297 11.1553 11.1553 11.4600 11.4600 k =-0.2692 0.0881 0.7892 ( 4134 PWs) bands (ev): -46.6304 -46.6304 -46.6150 -46.6150 -23.3806 -23.3806 -23.3470 -23.3470 -22.7458 -22.7458 -22.7311 -22.7311 -22.7104 -22.7104 -22.6313 -22.6313 2.2453 2.2453 3.2382 3.2382 3.8154 3.8154 5.8798 5.8798 7.2592 7.2592 8.0942 8.0942 8.2972 8.2972 9.3285 9.3285 9.7439 9.7439 10.5484 10.5484 10.8837 10.8837 10.9968 10.9968 11.1660 11.1660 11.4562 11.4562 k =-0.2885 0.0944 0.7892 ( 4138 PWs) bands (ev): -46.6303 -46.6303 -46.6151 -46.6151 -23.3803 -23.3803 -23.3473 -23.3473 -22.7457 -22.7457 -22.7311 -22.7311 -22.7096 -22.7096 -22.6323 -22.6323 2.2787 2.2787 3.2649 3.2649 3.7319 3.7319 5.8027 5.8027 7.3733 7.3733 8.1119 8.1119 8.2748 8.2748 9.3055 9.3055 9.7939 9.7939 10.5850 10.5850 10.8418 10.8418 11.0702 11.0702 11.1775 11.1775 11.4516 11.4516 k =-0.3077 0.1007 0.7892 ( 4138 PWs) bands (ev): -46.6302 -46.6302 -46.6152 -46.6152 -23.3799 -23.3799 -23.3476 -23.3476 -22.7457 -22.7457 -22.7311 -22.7311 -22.7088 -22.7088 -22.6333 -22.6333 2.3140 2.3140 3.2919 3.2919 3.6505 3.6505 5.7290 5.7290 7.4848 7.4848 8.1264 8.1264 8.2542 8.2542 9.2842 9.2842 9.8421 9.8421 10.6216 10.6216 10.7978 10.7978 11.1443 11.1443 11.1897 11.1897 11.4465 11.4465 k =-0.3269 0.1070 0.7892 ( 4138 PWs) bands (ev): -46.6301 -46.6301 -46.6153 -46.6153 -23.3796 -23.3796 -23.3478 -23.3478 -22.7457 -22.7457 -22.7311 -22.7311 -22.7080 -22.7080 -22.6343 -22.6343 2.3511 2.3511 3.3187 3.3187 3.5714 3.5714 5.6595 5.6595 7.5926 7.5926 8.1381 8.1381 8.2353 8.2353 9.2647 9.2647 9.8880 9.8880 10.6573 10.6573 10.7523 10.7523 11.2004 11.2004 11.2207 11.2207 11.4409 11.4409 k =-0.3462 0.1133 0.7892 ( 4130 PWs) bands (ev): -46.6301 -46.6301 -46.6153 -46.6153 -23.3792 -23.3792 -23.3480 -23.3480 -22.7457 -22.7457 -22.7310 -22.7310 -22.7071 -22.7071 -22.6352 -22.6352 2.3898 2.3898 3.3449 3.3449 3.4949 3.4949 5.5947 5.5947 7.6955 7.6955 8.1475 8.1475 8.2184 8.2184 9.2472 9.2472 9.9310 9.9310 10.6912 10.6912 10.7060 10.7060 11.2138 11.2138 11.2946 11.2946 11.4351 11.4351 k =-0.3654 0.1196 0.7892 ( 4126 PWs) bands (ev): -46.6300 -46.6300 -46.6154 -46.6154 -23.3789 -23.3789 -23.3483 -23.3483 -22.7457 -22.7457 -22.7309 -22.7309 -22.7064 -22.7064 -22.6360 -22.6360 2.4296 2.4296 3.3698 3.3698 3.4217 3.4217 5.5353 5.5353 7.7924 7.7924 8.1548 8.1548 8.2033 8.2033 9.2316 9.2316 9.9707 9.9707 10.6594 10.6594 10.7231 10.7231 11.2263 11.2263 11.3684 11.3684 11.4294 11.4294 k =-0.3846 0.1259 0.7892 ( 4130 PWs) bands (ev): -46.6299 -46.6299 -46.6155 -46.6155 -23.3787 -23.3787 -23.3485 -23.3485 -22.7457 -22.7457 -22.7309 -22.7309 -22.7057 -22.7057 -22.6368 -22.6368 2.4702 2.4702 3.3513 3.3513 3.3939 3.3939 5.4819 5.4819 7.8816 7.8816 8.1604 8.1604 8.1901 8.1901 9.2180 9.2180 10.0066 10.0066 10.6144 10.6144 10.7517 10.7517 11.2384 11.2384 11.4238 11.4238 11.4405 11.4405 k =-0.4038 0.1322 0.7892 ( 4138 PWs) bands (ev): -46.6299 -46.6299 -46.6155 -46.6155 -23.3785 -23.3785 -23.3487 -23.3487 -22.7457 -22.7457 -22.7309 -22.7309 -22.7051 -22.7051 -22.6376 -22.6376 2.5108 2.5108 3.2862 3.2862 3.4149 3.4149 5.4352 5.4352 7.9617 7.9617 8.1646 8.1646 8.1789 8.1789 9.2065 9.2065 10.0380 10.0380 10.5721 10.5721 10.7767 10.7767 11.2497 11.2497 11.4186 11.4186 11.5095 11.5095 k =-0.4231 0.1385 0.7892 ( 4146 PWs) bands (ev): -46.6298 -46.6298 -46.6156 -46.6156 -23.3783 -23.3783 -23.3489 -23.3489 -22.7458 -22.7458 -22.7308 -22.7308 -22.7047 -22.7047 -22.6382 -22.6382 2.5502 2.5502 3.2265 3.2265 3.4332 3.4332 5.3958 5.3958 8.0307 8.0307 8.1676 8.1676 8.1698 8.1698 9.1970 9.1970 10.0645 10.0645 10.5340 10.5340 10.7977 10.7977 11.2598 11.2598 11.4139 11.4139 11.5736 11.5736 k =-0.4423 0.1448 0.7892 ( 4144 PWs) bands (ev): -46.6298 -46.6298 -46.6156 -46.6156 -23.3781 -23.3781 -23.3490 -23.3490 -22.7458 -22.7458 -22.7308 -22.7308 -22.7043 -22.7043 -22.6386 -22.6386 2.5867 2.5867 3.1741 3.1741 3.4482 3.4482 5.3645 5.3645 8.0869 8.0869 8.1626 8.1626 8.1699 8.1699 9.1896 9.1896 10.0856 10.0856 10.5020 10.5020 10.8144 10.8144 11.2682 11.2682 11.4101 11.4101 11.6299 11.6299 k =-0.4615 0.1511 0.7892 ( 4144 PWs) bands (ev): -46.6297 -46.6297 -46.6157 -46.6157 -23.3780 -23.3780 -23.3491 -23.3491 -22.7457 -22.7457 -22.7308 -22.7308 -22.7040 -22.7040 -22.6390 -22.6390 2.6175 2.6175 3.1320 3.1320 3.4593 3.4593 5.3416 5.3416 8.1284 8.1284 8.1577 8.1577 8.1713 8.1713 9.1844 9.1844 10.1010 10.1010 10.4777 10.4777 10.8264 10.8264 11.2746 11.2746 11.4071 11.4071 11.6749 11.6749 k =-0.4808 0.1574 0.7892 ( 4140 PWs) bands (ev): -46.6297 -46.6297 -46.6157 -46.6157 -23.3779 -23.3779 -23.3491 -23.3491 -22.7457 -22.7457 -22.7308 -22.7308 -22.7038 -22.7038 -22.6392 -22.6392 2.6388 2.6388 3.1040 3.1040 3.4662 3.4662 5.3277 5.3277 8.1517 8.1517 8.1570 8.1570 8.1721 8.1721 9.1812 9.1812 10.1103 10.1103 10.4624 10.4624 10.8337 10.8337 11.2786 11.2786 11.4053 11.4053 11.7045 11.7045 k =-0.5000 0.1637 0.7892 ( 4144 PWs) bands (ev): -46.6297 -46.6297 -46.6157 -46.6157 -23.3779 -23.3779 -23.3492 -23.3492 -22.7457 -22.7457 -22.7308 -22.7308 -22.7037 -22.7037 -22.6393 -22.6393 2.6464 2.6464 3.0940 3.0940 3.4685 3.4685 5.3231 5.3231 8.1526 8.1526 8.1636 8.1636 8.1724 8.1724 9.1801 9.1801 10.1135 10.1135 10.4572 10.4572 10.8361 10.8361 11.2800 11.2800 11.4047 11.4047 11.7149 11.7149 Writing output data file TiAl2.save init_run : 4.12s CPU 13.83s WALL ( 1 calls) electrons : 790.66s CPU 800.07s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.34s CPU 1.73s WALL ( 1 calls) Called by electrons: c_bands : 790.52s CPU 799.86s WALL ( 1 calls) v_of_rho : 0.06s CPU 1.03s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.05s CPU 0.65s WALL ( 1 calls) newd : 0.54s CPU 0.63s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.08s WALL ( 408 calls) cegterg : 685.25s CPU 690.51s WALL ( 914 calls) Called by sum_band: Called by *egterg: h_psi : 377.18s CPU 386.94s WALL ( 16620 calls) s_psi : 27.44s CPU 28.00s WALL ( 16620 calls) g_psi : 0.74s CPU 0.82s WALL ( 15298 calls) cdiaghg : 211.70s CPU 208.94s WALL ( 15706 calls) cegterg:over : 50.53s CPU 46.27s WALL ( 15298 calls) cegterg:upda : 10.70s CPU 15.31s WALL ( 15298 calls) cegterg:last : 9.78s CPU 10.77s WALL ( 2576 calls) Called by h_psi: h_psi:vloc : 317.67s CPU 325.85s WALL ( 16620 calls) h_psi:vnl : 59.25s CPU 60.27s WALL ( 16620 calls) add_vuspsi : 17.67s CPU 22.83s WALL ( 16620 calls) General routines calbec : 41.52s CPU 37.29s WALL ( 16620 calls) fft : 0.47s CPU 1.16s WALL ( 19 calls) ffts : 0.01s CPU 0.04s WALL ( 4 calls) fftw : 273.33s CPU 275.26s WALL ( 1368216 calls) interpolate : 0.03s CPU 0.08s WALL ( 4 calls) davcio : 0.03s CPU 3.49s WALL ( 816 calls) Parallel routines fft_scatter : 150.68s CPU 150.79s WALL ( 1368239 calls) PWSCF : 14m24.94s CPU 16m33.80s WALL This run was terminated on: 12: 6:48 23Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=