Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:18: 0 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./YTe2.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized file Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 37 22 6 2151 1000 160 Max 38 23 7 2160 1019 171 Sum 1353 805 241 77607 36327 5965 bravais-lattice index = 14 lattice parameter (alat) = 8.1088 a.u. unit-cell volume = 1107.3597 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 46.00 number of Kohn-Sham states= 56 kinetic-energy cutoff = 39.0000 Ry charge density cutoff = 258.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.108814 celldm(2)= 1.000000 celldm(3)= 2.076905 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 2.076905 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.481486 ) PseudoPot. # 1 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Y read from file: /users/gautes/Pseudo/Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 25a826a599bbcba7ebf619f9598d90b1 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1223 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 Te 6.00 127.60000 Te( 1.00) Y 11.00 88.90590 Y( 1.00) 4 Sym. Ops., with inversion, found (note: 12 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,1,0] cryst. s( 2) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 2) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -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 [1,1,0] cryst. s( 4) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [1,1,0] -C2 -2 180 deg rotation - cart. axis [1,1,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,1,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,1,0] E Cartesian axes number of k points= 315 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 2) = ( 0.0000000 0.0135135 -0.0000000), wk = 0.0031746 k( 3) = ( 0.0000000 0.0270270 -0.0000000), wk = 0.0031746 k( 4) = ( 0.0000000 0.0405405 -0.0000000), wk = 0.0031746 k( 5) = ( 0.0000000 0.0540540 -0.0000000), wk = 0.0031746 k( 6) = ( 0.0000000 0.0675676 -0.0000000), wk = 0.0031746 k( 7) = ( 0.0000000 0.0810811 -0.0000000), wk = 0.0031746 k( 8) = ( 0.0000000 0.0945946 -0.0000000), wk = 0.0031746 k( 9) = ( 0.0000000 0.1081081 -0.0000000), wk = 0.0031746 k( 10) = ( 0.0000000 0.1216216 -0.0000000), wk = 0.0031746 k( 11) = ( 0.0000000 0.1351351 -0.0000000), wk = 0.0031746 k( 12) = ( 0.0000000 0.1486486 -0.0000000), wk = 0.0031746 k( 13) = ( 0.0000000 0.1621622 -0.0000000), wk = 0.0031746 k( 14) = ( 0.0000000 0.1756757 -0.0000000), wk = 0.0031746 k( 15) = ( 0.0000000 0.1891892 -0.0000000), wk = 0.0031746 k( 16) = ( 0.0000000 0.2027027 -0.0000000), wk = 0.0031746 k( 17) = ( 0.0000000 0.2162162 -0.0000000), wk = 0.0031746 k( 18) = ( 0.0000000 0.2297297 -0.0000000), wk = 0.0031746 k( 19) = ( 0.0000000 0.2432432 -0.0000000), wk = 0.0031746 k( 20) = ( 0.0000000 0.2567568 -0.0000000), wk = 0.0031746 k( 21) = ( 0.0000000 0.2702703 -0.0000000), wk = 0.0031746 k( 22) = ( 0.0000000 0.2837838 -0.0000000), wk = 0.0031746 k( 23) = ( 0.0000000 0.2972973 -0.0000000), wk = 0.0031746 k( 24) = ( 0.0000000 0.3108108 -0.0000000), wk = 0.0031746 k( 25) = ( 0.0000000 0.3243243 -0.0000000), wk = 0.0031746 k( 26) = ( 0.0000000 0.3378378 -0.0000000), wk = 0.0031746 k( 27) = ( 0.0000000 0.3513514 -0.0000000), wk = 0.0031746 k( 28) = ( 0.0000000 0.3648649 -0.0000000), wk = 0.0031746 k( 29) = ( 0.0000000 0.3783784 -0.0000000), wk = 0.0031746 k( 30) = ( 0.0000000 0.3918919 -0.0000000), wk = 0.0031746 k( 31) = ( 0.0000000 0.4054054 -0.0000000), wk = 0.0031746 k( 32) = ( 0.0000000 0.4189189 -0.0000000), wk = 0.0031746 k( 33) = ( 0.0000000 0.4324324 -0.0000000), wk = 0.0031746 k( 34) = ( 0.0000000 0.4459459 -0.0000000), wk = 0.0031746 k( 35) = ( 0.0000000 0.4594595 -0.0000000), wk = 0.0031746 k( 36) = ( 0.0000000 0.4729730 -0.0000000), wk = 0.0031746 k( 37) = ( 0.0000000 0.4864865 -0.0000000), wk = 0.0031746 k( 38) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031746 k( 39) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031746 k( 40) = ( 0.0135135 0.5000000 -0.0000000), wk = 0.0031746 k( 41) = ( 0.0270270 0.5000000 -0.0000000), wk = 0.0031746 k( 42) = ( 0.0405405 0.5000000 -0.0000000), wk = 0.0031746 k( 43) = ( 0.0540540 0.5000000 -0.0000000), wk = 0.0031746 k( 44) = ( 0.0675676 0.5000000 -0.0000000), wk = 0.0031746 k( 45) = ( 0.0810811 0.5000000 -0.0000000), wk = 0.0031746 k( 46) = ( 0.0945946 0.5000000 -0.0000000), wk = 0.0031746 k( 47) = ( 0.1081081 0.5000000 -0.0000000), wk = 0.0031746 k( 48) = ( 0.1216216 0.5000000 -0.0000000), wk = 0.0031746 k( 49) = ( 0.1351351 0.5000000 -0.0000000), wk = 0.0031746 k( 50) = ( 0.1486486 0.5000000 -0.0000000), wk = 0.0031746 k( 51) = ( 0.1621622 0.5000000 -0.0000000), wk = 0.0031746 k( 52) = ( 0.1756757 0.5000000 -0.0000000), wk = 0.0031746 k( 53) = ( 0.1891892 0.5000000 -0.0000000), wk = 0.0031746 k( 54) = ( 0.2027027 0.5000000 -0.0000000), wk = 0.0031746 k( 55) = ( 0.2162162 0.5000000 -0.0000000), wk = 0.0031746 k( 56) = ( 0.2297297 0.5000000 -0.0000000), wk = 0.0031746 k( 57) = ( 0.2432432 0.5000000 -0.0000000), wk = 0.0031746 k( 58) = ( 0.2567568 0.5000000 -0.0000000), wk = 0.0031746 k( 59) = ( 0.2702703 0.5000000 -0.0000000), wk = 0.0031746 k( 60) = ( 0.2837838 0.5000000 -0.0000000), wk = 0.0031746 k( 61) = ( 0.2972973 0.5000000 -0.0000000), wk = 0.0031746 k( 62) = ( 0.3108108 0.5000000 -0.0000000), wk = 0.0031746 k( 63) = ( 0.3243243 0.5000000 -0.0000000), wk = 0.0031746 k( 64) = ( 0.3378378 0.5000000 -0.0000000), wk = 0.0031746 k( 65) = ( 0.3513514 0.5000000 -0.0000000), wk = 0.0031746 k( 66) = ( 0.3648649 0.5000000 -0.0000000), wk = 0.0031746 k( 67) = ( 0.3783784 0.5000000 -0.0000000), wk = 0.0031746 k( 68) = ( 0.3918919 0.5000000 -0.0000000), wk = 0.0031746 k( 69) = ( 0.4054054 0.5000000 -0.0000000), wk = 0.0031746 k( 70) = ( 0.4189189 0.5000000 -0.0000000), wk = 0.0031746 k( 71) = ( 0.4324324 0.5000000 -0.0000000), wk = 0.0031746 k( 72) = ( 0.4459459 0.5000000 -0.0000000), wk = 0.0031746 k( 73) = ( 0.4594595 0.5000000 -0.0000000), wk = 0.0031746 k( 74) = ( 0.4729730 0.5000000 -0.0000000), wk = 0.0031746 k( 75) = ( 0.4864865 0.5000000 -0.0000000), wk = 0.0031746 k( 76) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031746 k( 77) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031746 k( 78) = ( 0.4903846 0.4903846 -0.0000000), wk = 0.0031746 k( 79) = ( 0.4807692 0.4807692 -0.0000000), wk = 0.0031746 k( 80) = ( 0.4711538 0.4711538 -0.0000000), wk = 0.0031746 k( 81) = ( 0.4615385 0.4615385 -0.0000000), wk = 0.0031746 k( 82) = ( 0.4519231 0.4519231 -0.0000000), wk = 0.0031746 k( 83) = ( 0.4423077 0.4423077 -0.0000000), wk = 0.0031746 k( 84) = ( 0.4326923 0.4326923 -0.0000000), wk = 0.0031746 k( 85) = ( 0.4230769 0.4230769 -0.0000000), wk = 0.0031746 k( 86) = ( 0.4134615 0.4134615 -0.0000000), wk = 0.0031746 k( 87) = ( 0.4038462 0.4038461 -0.0000000), wk = 0.0031746 k( 88) = ( 0.3942308 0.3942308 -0.0000000), wk = 0.0031746 k( 89) = ( 0.3846154 0.3846154 -0.0000000), wk = 0.0031746 k( 90) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0031746 k( 91) = ( 0.3653846 0.3653846 -0.0000000), wk = 0.0031746 k( 92) = ( 0.3557692 0.3557692 -0.0000000), wk = 0.0031746 k( 93) = ( 0.3461538 0.3461538 -0.0000000), wk = 0.0031746 k( 94) = ( 0.3365385 0.3365385 -0.0000000), wk = 0.0031746 k( 95) = ( 0.3269231 0.3269231 -0.0000000), wk = 0.0031746 k( 96) = ( 0.3173077 0.3173077 -0.0000000), wk = 0.0031746 k( 97) = ( 0.3076923 0.3076923 -0.0000000), wk = 0.0031746 k( 98) = ( 0.2980769 0.2980769 -0.0000000), wk = 0.0031746 k( 99) = ( 0.2884615 0.2884615 -0.0000000), wk = 0.0031746 k( 100) = ( 0.2788462 0.2788461 -0.0000000), wk = 0.0031746 k( 101) = ( 0.2692308 0.2692308 -0.0000000), wk = 0.0031746 k( 102) = ( 0.2596154 0.2596154 -0.0000000), wk = 0.0031746 k( 103) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0031746 k( 104) = ( 0.2403846 0.2403846 -0.0000000), wk = 0.0031746 k( 105) = ( 0.2307692 0.2307692 -0.0000000), wk = 0.0031746 k( 106) = ( 0.2211539 0.2211538 -0.0000000), wk = 0.0031746 k( 107) = ( 0.2115385 0.2115385 -0.0000000), wk = 0.0031746 k( 108) = ( 0.2019231 0.2019231 -0.0000000), wk = 0.0031746 k( 109) = ( 0.1923077 0.1923077 -0.0000000), wk = 0.0031746 k( 110) = ( 0.1826923 0.1826923 -0.0000000), wk = 0.0031746 k( 111) = ( 0.1730769 0.1730769 -0.0000000), wk = 0.0031746 k( 112) = ( 0.1634615 0.1634615 -0.0000000), wk = 0.0031746 k( 113) = ( 0.1538461 0.1538461 -0.0000000), wk = 0.0031746 k( 114) = ( 0.1442308 0.1442308 -0.0000000), wk = 0.0031746 k( 115) = ( 0.1346154 0.1346154 -0.0000000), wk = 0.0031746 k( 116) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0031746 k( 117) = ( 0.1153846 0.1153846 -0.0000000), wk = 0.0031746 k( 118) = ( 0.1057692 0.1057692 -0.0000000), wk = 0.0031746 k( 119) = ( 0.0961538 0.0961538 -0.0000000), wk = 0.0031746 k( 120) = ( 0.0865385 0.0865385 -0.0000000), wk = 0.0031746 k( 121) = ( 0.0769231 0.0769231 -0.0000000), wk = 0.0031746 k( 122) = ( 0.0673077 0.0673077 -0.0000000), wk = 0.0031746 k( 123) = ( 0.0576923 0.0576923 -0.0000000), wk = 0.0031746 k( 124) = ( 0.0480769 0.0480769 -0.0000000), wk = 0.0031746 k( 125) = ( 0.0384615 0.0384615 -0.0000000), wk = 0.0031746 k( 126) = ( 0.0288462 0.0288461 -0.0000000), wk = 0.0031746 k( 127) = ( 0.0192308 0.0192308 -0.0000000), wk = 0.0031746 k( 128) = ( 0.0096154 0.0096154 -0.0000000), wk = 0.0031746 k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 131) = ( 0.0000000 0.0000000 0.0133746), wk = 0.0031746 k( 132) = ( 0.0000000 0.0000000 0.0267492), wk = 0.0031746 k( 133) = ( 0.0000000 0.0000000 0.0401238), wk = 0.0031746 k( 134) = ( 0.0000000 0.0000000 0.0534984), wk = 0.0031746 k( 135) = ( 0.0000000 0.0000000 0.0668730), wk = 0.0031746 k( 136) = ( 0.0000000 0.0000000 0.0802476), wk = 0.0031746 k( 137) = ( 0.0000000 0.0000000 0.0936222), wk = 0.0031746 k( 138) = ( 0.0000000 0.0000000 0.1069968), wk = 0.0031746 k( 139) = ( 0.0000000 0.0000000 0.1203714), wk = 0.0031746 k( 140) = ( 0.0000000 0.0000000 0.1337460), wk = 0.0031746 k( 141) = ( 0.0000000 0.0000000 0.1471206), wk = 0.0031746 k( 142) = ( 0.0000000 0.0000000 0.1604952), wk = 0.0031746 k( 143) = ( 0.0000000 0.0000000 0.1738698), wk = 0.0031746 k( 144) = ( 0.0000000 0.0000000 0.1872444), wk = 0.0031746 k( 145) = ( 0.0000000 0.0000000 0.2006190), wk = 0.0031746 k( 146) = ( 0.0000000 0.0000000 0.2139936), wk = 0.0031746 k( 147) = ( 0.0000000 0.0000000 0.2273682), wk = 0.0031746 k( 148) = ( 0.0000000 0.0000000 0.2407428), wk = 0.0031746 k( 149) = ( 0.0000000 0.0000000 0.2407428), wk = 0.0031746 k( 150) = ( 0.0000000 0.0135135 0.2407428), wk = 0.0031746 k( 151) = ( 0.0000000 0.0270270 0.2407428), wk = 0.0031746 k( 152) = ( 0.0000000 0.0405405 0.2407428), wk = 0.0031746 k( 153) = ( 0.0000000 0.0540540 0.2407428), wk = 0.0031746 k( 154) = ( 0.0000000 0.0675676 0.2407428), wk = 0.0031746 k( 155) = ( 0.0000000 0.0810811 0.2407428), wk = 0.0031746 k( 156) = ( 0.0000000 0.0945946 0.2407428), wk = 0.0031746 k( 157) = ( 0.0000000 0.1081081 0.2407428), wk = 0.0031746 k( 158) = ( 0.0000000 0.1216216 0.2407428), wk = 0.0031746 k( 159) = ( 0.0000000 0.1351351 0.2407428), wk = 0.0031746 k( 160) = ( 0.0000000 0.1486486 0.2407428), wk = 0.0031746 k( 161) = ( 0.0000000 0.1621622 0.2407428), wk = 0.0031746 k( 162) = ( 0.0000000 0.1756757 0.2407428), wk = 0.0031746 k( 163) = ( 0.0000000 0.1891892 0.2407428), wk = 0.0031746 k( 164) = ( 0.0000000 0.2027027 0.2407428), wk = 0.0031746 k( 165) = ( 0.0000000 0.2162162 0.2407428), wk = 0.0031746 k( 166) = ( 0.0000000 0.2297297 0.2407428), wk = 0.0031746 k( 167) = ( 0.0000000 0.2432432 0.2407428), wk = 0.0031746 k( 168) = ( 0.0000000 0.2567568 0.2407428), wk = 0.0031746 k( 169) = ( 0.0000000 0.2702703 0.2407428), wk = 0.0031746 k( 170) = ( 0.0000000 0.2837838 0.2407428), wk = 0.0031746 k( 171) = ( 0.0000000 0.2972973 0.2407428), wk = 0.0031746 k( 172) = ( 0.0000000 0.3108108 0.2407428), wk = 0.0031746 k( 173) = ( 0.0000000 0.3243243 0.2407428), wk = 0.0031746 k( 174) = ( 0.0000000 0.3378378 0.2407428), wk = 0.0031746 k( 175) = ( 0.0000000 0.3513514 0.2407428), wk = 0.0031746 k( 176) = ( 0.0000000 0.3648649 0.2407428), wk = 0.0031746 k( 177) = ( 0.0000000 0.3783784 0.2407428), wk = 0.0031746 k( 178) = ( 0.0000000 0.3918919 0.2407428), wk = 0.0031746 k( 179) = ( 0.0000000 0.4054054 0.2407428), wk = 0.0031746 k( 180) = ( 0.0000000 0.4189189 0.2407428), wk = 0.0031746 k( 181) = ( 0.0000000 0.4324324 0.2407428), wk = 0.0031746 k( 182) = ( 0.0000000 0.4459459 0.2407428), wk = 0.0031746 k( 183) = ( 0.0000000 0.4594595 0.2407428), wk = 0.0031746 k( 184) = ( 0.0000000 0.4729730 0.2407428), wk = 0.0031746 k( 185) = ( 0.0000000 0.4864865 0.2407428), wk = 0.0031746 k( 186) = ( 0.0000000 0.5000000 0.2407428), wk = 0.0031746 k( 187) = ( 0.0000000 0.5000000 0.2407428), wk = 0.0031746 k( 188) = ( 0.0135135 0.5000000 0.2407428), wk = 0.0031746 k( 189) = ( 0.0270270 0.5000000 0.2407428), wk = 0.0031746 k( 190) = ( 0.0405405 0.5000000 0.2407428), wk = 0.0031746 k( 191) = ( 0.0540540 0.5000000 0.2407428), wk = 0.0031746 k( 192) = ( 0.0675676 0.5000000 0.2407428), wk = 0.0031746 k( 193) = ( 0.0810811 0.5000000 0.2407428), wk = 0.0031746 k( 194) = ( 0.0945946 0.5000000 0.2407428), wk = 0.0031746 k( 195) = ( 0.1081081 0.5000000 0.2407428), wk = 0.0031746 k( 196) = ( 0.1216216 0.5000000 0.2407428), wk = 0.0031746 k( 197) = ( 0.1351351 0.5000000 0.2407428), wk = 0.0031746 k( 198) = ( 0.1486486 0.5000000 0.2407428), wk = 0.0031746 k( 199) = ( 0.1621622 0.5000000 0.2407428), wk = 0.0031746 k( 200) = ( 0.1756757 0.5000000 0.2407428), wk = 0.0031746 k( 201) = ( 0.1891892 0.5000000 0.2407428), wk = 0.0031746 k( 202) = ( 0.2027027 0.5000000 0.2407428), wk = 0.0031746 k( 203) = ( 0.2162162 0.5000000 0.2407428), wk = 0.0031746 k( 204) = ( 0.2297297 0.5000000 0.2407428), wk = 0.0031746 k( 205) = ( 0.2432432 0.5000000 0.2407428), wk = 0.0031746 k( 206) = ( 0.2567568 0.5000000 0.2407428), wk = 0.0031746 k( 207) = ( 0.2702703 0.5000000 0.2407428), wk = 0.0031746 k( 208) = ( 0.2837838 0.5000000 0.2407428), wk = 0.0031746 k( 209) = ( 0.2972973 0.5000000 0.2407428), wk = 0.0031746 k( 210) = ( 0.3108108 0.5000000 0.2407428), wk = 0.0031746 k( 211) = ( 0.3243243 0.5000000 0.2407428), wk = 0.0031746 k( 212) = ( 0.3378378 0.5000000 0.2407428), wk = 0.0031746 k( 213) = ( 0.3513514 0.5000000 0.2407428), wk = 0.0031746 k( 214) = ( 0.3648649 0.5000000 0.2407428), wk = 0.0031746 k( 215) = ( 0.3783784 0.5000000 0.2407428), wk = 0.0031746 k( 216) = ( 0.3918919 0.5000000 0.2407428), wk = 0.0031746 k( 217) = ( 0.4054054 0.5000000 0.2407428), wk = 0.0031746 k( 218) = ( 0.4189189 0.5000000 0.2407428), wk = 0.0031746 k( 219) = ( 0.4324324 0.5000000 0.2407428), wk = 0.0031746 k( 220) = ( 0.4459459 0.5000000 0.2407428), wk = 0.0031746 k( 221) = ( 0.4594595 0.5000000 0.2407428), wk = 0.0031746 k( 222) = ( 0.4729730 0.5000000 0.2407428), wk = 0.0031746 k( 223) = ( 0.4864865 0.5000000 0.2407428), wk = 0.0031746 k( 224) = ( 0.5000000 0.5000000 0.2407428), wk = 0.0031746 k( 225) = ( 0.5000000 0.5000000 0.2407428), wk = 0.0031746 k( 226) = ( 0.4903846 0.4903846 0.2407428), wk = 0.0031746 k( 227) = ( 0.4807692 0.4807692 0.2407428), wk = 0.0031746 k( 228) = ( 0.4711538 0.4711538 0.2407428), wk = 0.0031746 k( 229) = ( 0.4615385 0.4615385 0.2407428), wk = 0.0031746 k( 230) = ( 0.4519231 0.4519231 0.2407428), wk = 0.0031746 k( 231) = ( 0.4423077 0.4423077 0.2407428), wk = 0.0031746 k( 232) = ( 0.4326923 0.4326923 0.2407428), wk = 0.0031746 k( 233) = ( 0.4230769 0.4230769 0.2407428), wk = 0.0031746 k( 234) = ( 0.4134615 0.4134615 0.2407428), wk = 0.0031746 k( 235) = ( 0.4038462 0.4038461 0.2407428), wk = 0.0031746 k( 236) = ( 0.3942308 0.3942308 0.2407428), wk = 0.0031746 k( 237) = ( 0.3846154 0.3846154 0.2407428), wk = 0.0031746 k( 238) = ( 0.3750000 0.3750000 0.2407428), wk = 0.0031746 k( 239) = ( 0.3653846 0.3653846 0.2407428), wk = 0.0031746 k( 240) = ( 0.3557692 0.3557692 0.2407428), wk = 0.0031746 k( 241) = ( 0.3461538 0.3461538 0.2407428), wk = 0.0031746 k( 242) = ( 0.3365385 0.3365385 0.2407428), wk = 0.0031746 k( 243) = ( 0.3269231 0.3269231 0.2407428), wk = 0.0031746 k( 244) = ( 0.3173077 0.3173077 0.2407428), wk = 0.0031746 k( 245) = ( 0.3076923 0.3076923 0.2407428), wk = 0.0031746 k( 246) = ( 0.2980769 0.2980769 0.2407428), wk = 0.0031746 k( 247) = ( 0.2884615 0.2884615 0.2407428), wk = 0.0031746 k( 248) = ( 0.2788462 0.2788461 0.2407428), wk = 0.0031746 k( 249) = ( 0.2692308 0.2692308 0.2407428), wk = 0.0031746 k( 250) = ( 0.2596154 0.2596154 0.2407428), wk = 0.0031746 k( 251) = ( 0.2500000 0.2500000 0.2407428), wk = 0.0031746 k( 252) = ( 0.2403846 0.2403846 0.2407428), wk = 0.0031746 k( 253) = ( 0.2307692 0.2307692 0.2407428), wk = 0.0031746 k( 254) = ( 0.2211539 0.2211538 0.2407428), wk = 0.0031746 k( 255) = ( 0.2115385 0.2115385 0.2407428), wk = 0.0031746 k( 256) = ( 0.2019231 0.2019231 0.2407428), wk = 0.0031746 k( 257) = ( 0.1923077 0.1923077 0.2407428), wk = 0.0031746 k( 258) = ( 0.1826923 0.1826923 0.2407428), wk = 0.0031746 k( 259) = ( 0.1730769 0.1730769 0.2407428), wk = 0.0031746 k( 260) = ( 0.1634615 0.1634615 0.2407428), wk = 0.0031746 k( 261) = ( 0.1538461 0.1538461 0.2407428), wk = 0.0031746 k( 262) = ( 0.1442308 0.1442308 0.2407428), wk = 0.0031746 k( 263) = ( 0.1346154 0.1346154 0.2407428), wk = 0.0031746 k( 264) = ( 0.1250000 0.1250000 0.2407428), wk = 0.0031746 k( 265) = ( 0.1153846 0.1153846 0.2407428), wk = 0.0031746 k( 266) = ( 0.1057692 0.1057692 0.2407428), wk = 0.0031746 k( 267) = ( 0.0961538 0.0961538 0.2407428), wk = 0.0031746 k( 268) = ( 0.0865385 0.0865385 0.2407428), wk = 0.0031746 k( 269) = ( 0.0769231 0.0769231 0.2407428), wk = 0.0031746 k( 270) = ( 0.0673077 0.0673077 0.2407428), wk = 0.0031746 k( 271) = ( 0.0576923 0.0576923 0.2407428), wk = 0.0031746 k( 272) = ( 0.0480769 0.0480769 0.2407428), wk = 0.0031746 k( 273) = ( 0.0384615 0.0384615 0.2407428), wk = 0.0031746 k( 274) = ( 0.0288462 0.0288461 0.2407428), wk = 0.0031746 k( 275) = ( 0.0192308 0.0192308 0.2407428), wk = 0.0031746 k( 276) = ( 0.0096154 0.0096154 0.2407428), wk = 0.0031746 k( 277) = ( 0.0000000 0.0000000 0.2407428), wk = 0.0031746 k( 278) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031746 k( 279) = ( 0.0000000 0.5000000 0.0133746), wk = 0.0031746 k( 280) = ( 0.0000000 0.5000000 0.0267492), wk = 0.0031746 k( 281) = ( 0.0000000 0.5000000 0.0401238), wk = 0.0031746 k( 282) = ( 0.0000000 0.5000000 0.0534984), wk = 0.0031746 k( 283) = ( 0.0000000 0.5000000 0.0668730), wk = 0.0031746 k( 284) = ( 0.0000000 0.5000000 0.0802476), wk = 0.0031746 k( 285) = ( 0.0000000 0.5000000 0.0936222), wk = 0.0031746 k( 286) = ( 0.0000000 0.5000000 0.1069968), wk = 0.0031746 k( 287) = ( 0.0000000 0.5000000 0.1203714), wk = 0.0031746 k( 288) = ( 0.0000000 0.5000000 0.1337460), wk = 0.0031746 k( 289) = ( 0.0000000 0.5000000 0.1471206), wk = 0.0031746 k( 290) = ( 0.0000000 0.5000000 0.1604952), wk = 0.0031746 k( 291) = ( 0.0000000 0.5000000 0.1738698), wk = 0.0031746 k( 292) = ( 0.0000000 0.5000000 0.1872444), wk = 0.0031746 k( 293) = ( 0.0000000 0.5000000 0.2006190), wk = 0.0031746 k( 294) = ( 0.0000000 0.5000000 0.2139936), wk = 0.0031746 k( 295) = ( 0.0000000 0.5000000 0.2273682), wk = 0.0031746 k( 296) = ( 0.0000000 0.5000000 0.2407428), wk = 0.0031746 k( 297) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031746 k( 298) = ( 0.5000000 0.5000000 0.0133746), wk = 0.0031746 k( 299) = ( 0.5000000 0.5000000 0.0267492), wk = 0.0031746 k( 300) = ( 0.5000000 0.5000000 0.0401238), wk = 0.0031746 k( 301) = ( 0.5000000 0.5000000 0.0534984), wk = 0.0031746 k( 302) = ( 0.5000000 0.5000000 0.0668730), wk = 0.0031746 k( 303) = ( 0.5000000 0.5000000 0.0802476), wk = 0.0031746 k( 304) = ( 0.5000000 0.5000000 0.0936222), wk = 0.0031746 k( 305) = ( 0.5000000 0.5000000 0.1069968), wk = 0.0031746 k( 306) = ( 0.5000000 0.5000000 0.1203714), wk = 0.0031746 k( 307) = ( 0.5000000 0.5000000 0.1337460), wk = 0.0031746 k( 308) = ( 0.5000000 0.5000000 0.1471206), wk = 0.0031746 k( 309) = ( 0.5000000 0.5000000 0.1604952), wk = 0.0031746 k( 310) = ( 0.5000000 0.5000000 0.1738698), wk = 0.0031746 k( 311) = ( 0.5000000 0.5000000 0.1872444), wk = 0.0031746 k( 312) = ( 0.5000000 0.5000000 0.2006190), wk = 0.0031746 k( 313) = ( 0.5000000 0.5000000 0.2139936), wk = 0.0031746 k( 314) = ( 0.5000000 0.5000000 0.2273682), wk = 0.0031746 k( 315) = ( 0.5000000 0.5000000 0.2407428), wk = 0.0031746 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 2) = ( 0.0000000 0.0135135 0.0000000), wk = 0.0031746 k( 3) = ( 0.0000000 0.0270270 -0.0000000), wk = 0.0031746 k( 4) = ( 0.0000000 0.0405405 0.0000000), wk = 0.0031746 k( 5) = ( 0.0000000 0.0540540 0.0000000), wk = 0.0031746 k( 6) = ( 0.0000000 0.0675676 -0.0000000), wk = 0.0031746 k( 7) = ( 0.0000000 0.0810811 0.0000000), wk = 0.0031746 k( 8) = ( 0.0000000 0.0945946 -0.0000000), wk = 0.0031746 k( 9) = ( 0.0000000 0.1081081 0.0000000), wk = 0.0031746 k( 10) = ( 0.0000000 0.1216216 -0.0000000), wk = 0.0031746 k( 11) = ( 0.0000000 0.1351351 -0.0000000), wk = 0.0031746 k( 12) = ( 0.0000000 0.1486486 0.0000000), wk = 0.0031746 k( 13) = ( 0.0000000 0.1621622 0.0000000), wk = 0.0031746 k( 14) = ( 0.0000000 0.1756757 -0.0000000), wk = 0.0031746 k( 15) = ( 0.0000000 0.1891892 -0.0000000), wk = 0.0031746 k( 16) = ( 0.0000000 0.2027027 0.0000000), wk = 0.0031746 k( 17) = ( 0.0000000 0.2162162 0.0000000), wk = 0.0031746 k( 18) = ( 0.0000000 0.2297297 -0.0000000), wk = 0.0031746 k( 19) = ( 0.0000000 0.2432432 -0.0000000), wk = 0.0031746 k( 20) = ( 0.0000000 0.2567568 0.0000000), wk = 0.0031746 k( 21) = ( 0.0000000 0.2702703 0.0000000), wk = 0.0031746 k( 22) = ( 0.0000000 0.2837838 -0.0000000), wk = 0.0031746 k( 23) = ( 0.0000000 0.2972973 0.0000000), wk = 0.0031746 k( 24) = ( 0.0000000 0.3108108 -0.0000000), wk = 0.0031746 k( 25) = ( 0.0000000 0.3243243 0.0000000), wk = 0.0031746 k( 26) = ( 0.0000000 0.3378378 0.0000000), wk = 0.0031746 k( 27) = ( 0.0000000 0.3513514 -0.0000000), wk = 0.0031746 k( 28) = ( 0.0000000 0.3648649 0.0000000), wk = 0.0031746 k( 29) = ( 0.0000000 0.3783784 -0.0000000), wk = 0.0031746 k( 30) = ( 0.0000000 0.3918919 -0.0000000), wk = 0.0031746 k( 31) = ( 0.0000000 0.4054054 0.0000000), wk = 0.0031746 k( 32) = ( 0.0000000 0.4189189 -0.0000000), wk = 0.0031746 k( 33) = ( 0.0000000 0.4324324 0.0000000), wk = 0.0031746 k( 34) = ( 0.0000000 0.4459459 0.0000000), wk = 0.0031746 k( 35) = ( 0.0000000 0.4594595 -0.0000000), wk = 0.0031746 k( 36) = ( 0.0000000 0.4729730 0.0000000), wk = 0.0031746 k( 37) = ( 0.0000000 0.4864865 -0.0000000), wk = 0.0031746 k( 38) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031746 k( 39) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031746 k( 40) = ( 0.0135135 0.5000000 0.0000000), wk = 0.0031746 k( 41) = ( 0.0270270 0.5000000 0.0000000), wk = 0.0031746 k( 42) = ( 0.0405405 0.5000000 -0.0000000), wk = 0.0031746 k( 43) = ( 0.0540540 0.5000000 0.0000000), wk = 0.0031746 k( 44) = ( 0.0675676 0.5000000 -0.0000000), wk = 0.0031746 k( 45) = ( 0.0810811 0.5000000 0.0000000), wk = 0.0031746 k( 46) = ( 0.0945946 0.5000000 -0.0000000), wk = 0.0031746 k( 47) = ( 0.1081081 0.5000000 -0.0000000), wk = 0.0031746 k( 48) = ( 0.1216216 0.5000000 -0.0000000), wk = 0.0031746 k( 49) = ( 0.1351351 0.5000000 -0.0000000), wk = 0.0031746 k( 50) = ( 0.1486486 0.5000000 0.0000000), wk = 0.0031746 k( 51) = ( 0.1621622 0.5000000 0.0000000), wk = 0.0031746 k( 52) = ( 0.1756757 0.5000000 0.0000000), wk = 0.0031746 k( 53) = ( 0.1891892 0.5000000 0.0000000), wk = 0.0031746 k( 54) = ( 0.2027027 0.5000000 -0.0000000), wk = 0.0031746 k( 55) = ( 0.2162162 0.5000000 -0.0000000), wk = 0.0031746 k( 56) = ( 0.2297297 0.5000000 0.0000000), wk = 0.0031746 k( 57) = ( 0.2432432 0.5000000 0.0000000), wk = 0.0031746 k( 58) = ( 0.2567568 0.5000000 -0.0000000), wk = 0.0031746 k( 59) = ( 0.2702703 0.5000000 0.0000000), wk = 0.0031746 k( 60) = ( 0.2837838 0.5000000 -0.0000000), wk = 0.0031746 k( 61) = ( 0.2972973 0.5000000 -0.0000000), wk = 0.0031746 k( 62) = ( 0.3108108 0.5000000 -0.0000000), wk = 0.0031746 k( 63) = ( 0.3243243 0.5000000 0.0000000), wk = 0.0031746 k( 64) = ( 0.3378378 0.5000000 -0.0000000), wk = 0.0031746 k( 65) = ( 0.3513514 0.5000000 0.0000000), wk = 0.0031746 k( 66) = ( 0.3648649 0.5000000 0.0000000), wk = 0.0031746 k( 67) = ( 0.3783784 0.5000000 -0.0000000), wk = 0.0031746 k( 68) = ( 0.3918919 0.5000000 -0.0000000), wk = 0.0031746 k( 69) = ( 0.4054054 0.5000000 -0.0000000), wk = 0.0031746 k( 70) = ( 0.4189189 0.5000000 0.0000000), wk = 0.0031746 k( 71) = ( 0.4324324 0.5000000 -0.0000000), wk = 0.0031746 k( 72) = ( 0.4459459 0.5000000 -0.0000000), wk = 0.0031746 k( 73) = ( 0.4594595 0.5000000 0.0000000), wk = 0.0031746 k( 74) = ( 0.4729730 0.5000000 0.0000000), wk = 0.0031746 k( 75) = ( 0.4864865 0.5000000 0.0000000), wk = 0.0031746 k( 76) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031746 k( 77) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031746 k( 78) = ( 0.4903846 0.4903846 -0.0000000), wk = 0.0031746 k( 79) = ( 0.4807692 0.4807692 -0.0000000), wk = 0.0031746 k( 80) = ( 0.4711538 0.4711538 -0.0000000), wk = 0.0031746 k( 81) = ( 0.4615385 0.4615385 -0.0000000), wk = 0.0031746 k( 82) = ( 0.4519231 0.4519231 -0.0000000), wk = 0.0031746 k( 83) = ( 0.4423077 0.4423077 -0.0000000), wk = 0.0031746 k( 84) = ( 0.4326923 0.4326923 0.0000000), wk = 0.0031746 k( 85) = ( 0.4230769 0.4230769 0.0000000), wk = 0.0031746 k( 86) = ( 0.4134615 0.4134615 -0.0000000), wk = 0.0031746 k( 87) = ( 0.4038462 0.4038462 -0.0000000), wk = 0.0031746 k( 88) = ( 0.3942308 0.3942308 -0.0000000), wk = 0.0031746 k( 89) = ( 0.3846154 0.3846154 -0.0000000), wk = 0.0031746 k( 90) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0031746 k( 91) = ( 0.3653846 0.3653846 -0.0000000), wk = 0.0031746 k( 92) = ( 0.3557692 0.3557692 -0.0000000), wk = 0.0031746 k( 93) = ( 0.3461538 0.3461538 -0.0000000), wk = 0.0031746 k( 94) = ( 0.3365385 0.3365385 -0.0000000), wk = 0.0031746 k( 95) = ( 0.3269231 0.3269231 -0.0000000), wk = 0.0031746 k( 96) = ( 0.3173077 0.3173077 -0.0000000), wk = 0.0031746 k( 97) = ( 0.3076923 0.3076923 -0.0000000), wk = 0.0031746 k( 98) = ( 0.2980769 0.2980769 -0.0000000), wk = 0.0031746 k( 99) = ( 0.2884615 0.2884615 -0.0000000), wk = 0.0031746 k( 100) = ( 0.2788462 0.2788462 -0.0000000), wk = 0.0031746 k( 101) = ( 0.2692308 0.2692308 0.0000000), wk = 0.0031746 k( 102) = ( 0.2596154 0.2596154 0.0000000), wk = 0.0031746 k( 103) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0031746 k( 104) = ( 0.2403846 0.2403846 -0.0000000), wk = 0.0031746 k( 105) = ( 0.2307692 0.2307692 -0.0000000), wk = 0.0031746 k( 106) = ( 0.2211539 0.2211539 0.0000000), wk = 0.0031746 k( 107) = ( 0.2115385 0.2115385 0.0000000), wk = 0.0031746 k( 108) = ( 0.2019231 0.2019231 -0.0000000), wk = 0.0031746 k( 109) = ( 0.1923077 0.1923077 -0.0000000), wk = 0.0031746 k( 110) = ( 0.1826923 0.1826923 -0.0000000), wk = 0.0031746 k( 111) = ( 0.1730769 0.1730769 -0.0000000), wk = 0.0031746 k( 112) = ( 0.1634615 0.1634615 -0.0000000), wk = 0.0031746 k( 113) = ( 0.1538461 0.1538461 -0.0000000), wk = 0.0031746 k( 114) = ( 0.1442308 0.1442308 -0.0000000), wk = 0.0031746 k( 115) = ( 0.1346154 0.1346154 -0.0000000), wk = 0.0031746 k( 116) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0031746 k( 117) = ( 0.1153846 0.1153846 0.0000000), wk = 0.0031746 k( 118) = ( 0.1057692 0.1057692 0.0000000), wk = 0.0031746 k( 119) = ( 0.0961538 0.0961538 -0.0000000), wk = 0.0031746 k( 120) = ( 0.0865385 0.0865385 -0.0000000), wk = 0.0031746 k( 121) = ( 0.0769231 0.0769231 -0.0000000), wk = 0.0031746 k( 122) = ( 0.0673077 0.0673077 -0.0000000), wk = 0.0031746 k( 123) = ( 0.0576923 0.0576923 0.0000000), wk = 0.0031746 k( 124) = ( 0.0480769 0.0480769 -0.0000000), wk = 0.0031746 k( 125) = ( 0.0384615 0.0384615 -0.0000000), wk = 0.0031746 k( 126) = ( 0.0288462 0.0288462 0.0000000), wk = 0.0031746 k( 127) = ( 0.0192308 0.0192308 -0.0000000), wk = 0.0031746 k( 128) = ( 0.0096154 0.0096154 -0.0000000), wk = 0.0031746 k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 131) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0031746 k( 132) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0031746 k( 133) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0031746 k( 134) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0031746 k( 135) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0031746 k( 136) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0031746 k( 137) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0031746 k( 138) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0031746 k( 139) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0031746 k( 140) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0031746 k( 141) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0031746 k( 142) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0031746 k( 143) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0031746 k( 144) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0031746 k( 145) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0031746 k( 146) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0031746 k( 147) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0031746 k( 148) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031746 k( 149) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031746 k( 150) = ( 0.0000000 0.0135135 0.5000000), wk = 0.0031746 k( 151) = ( 0.0000000 0.0270270 0.5000000), wk = 0.0031746 k( 152) = ( 0.0000000 0.0405405 0.5000000), wk = 0.0031746 k( 153) = ( 0.0000000 0.0540540 0.5000000), wk = 0.0031746 k( 154) = ( 0.0000000 0.0675676 0.5000000), wk = 0.0031746 k( 155) = ( 0.0000000 0.0810811 0.5000000), wk = 0.0031746 k( 156) = ( 0.0000000 0.0945946 0.5000000), wk = 0.0031746 k( 157) = ( 0.0000000 0.1081081 0.5000000), wk = 0.0031746 k( 158) = ( 0.0000000 0.1216216 0.5000000), wk = 0.0031746 k( 159) = ( 0.0000000 0.1351351 0.5000000), wk = 0.0031746 k( 160) = ( 0.0000000 0.1486486 0.5000000), wk = 0.0031746 k( 161) = ( 0.0000000 0.1621622 0.5000000), wk = 0.0031746 k( 162) = ( 0.0000000 0.1756757 0.5000000), wk = 0.0031746 k( 163) = ( 0.0000000 0.1891892 0.5000000), wk = 0.0031746 k( 164) = ( 0.0000000 0.2027027 0.5000000), wk = 0.0031746 k( 165) = ( 0.0000000 0.2162162 0.5000000), wk = 0.0031746 k( 166) = ( 0.0000000 0.2297297 0.5000000), wk = 0.0031746 k( 167) = ( 0.0000000 0.2432432 0.5000000), wk = 0.0031746 k( 168) = ( 0.0000000 0.2567568 0.5000000), wk = 0.0031746 k( 169) = ( 0.0000000 0.2702703 0.5000000), wk = 0.0031746 k( 170) = ( 0.0000000 0.2837838 0.5000000), wk = 0.0031746 k( 171) = ( 0.0000000 0.2972973 0.5000000), wk = 0.0031746 k( 172) = ( 0.0000000 0.3108108 0.5000000), wk = 0.0031746 k( 173) = ( 0.0000000 0.3243243 0.5000000), wk = 0.0031746 k( 174) = ( 0.0000000 0.3378378 0.5000000), wk = 0.0031746 k( 175) = ( 0.0000000 0.3513514 0.5000000), wk = 0.0031746 k( 176) = ( 0.0000000 0.3648649 0.5000000), wk = 0.0031746 k( 177) = ( 0.0000000 0.3783784 0.5000000), wk = 0.0031746 k( 178) = ( 0.0000000 0.3918919 0.5000000), wk = 0.0031746 k( 179) = ( 0.0000000 0.4054054 0.5000000), wk = 0.0031746 k( 180) = ( 0.0000000 0.4189189 0.5000000), wk = 0.0031746 k( 181) = ( 0.0000000 0.4324324 0.5000000), wk = 0.0031746 k( 182) = ( 0.0000000 0.4459459 0.5000000), wk = 0.0031746 k( 183) = ( 0.0000000 0.4594595 0.5000000), wk = 0.0031746 k( 184) = ( 0.0000000 0.4729730 0.5000000), wk = 0.0031746 k( 185) = ( 0.0000000 0.4864865 0.5000000), wk = 0.0031746 k( 186) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0031746 k( 187) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0031746 k( 188) = ( 0.0135135 0.5000000 0.5000000), wk = 0.0031746 k( 189) = ( 0.0270270 0.5000000 0.5000000), wk = 0.0031746 k( 190) = ( 0.0405405 0.5000000 0.5000000), wk = 0.0031746 k( 191) = ( 0.0540540 0.5000000 0.5000000), wk = 0.0031746 k( 192) = ( 0.0675676 0.5000000 0.5000000), wk = 0.0031746 k( 193) = ( 0.0810811 0.5000000 0.5000000), wk = 0.0031746 k( 194) = ( 0.0945946 0.5000000 0.5000000), wk = 0.0031746 k( 195) = ( 0.1081081 0.5000000 0.5000000), wk = 0.0031746 k( 196) = ( 0.1216216 0.5000000 0.5000000), wk = 0.0031746 k( 197) = ( 0.1351351 0.5000000 0.5000000), wk = 0.0031746 k( 198) = ( 0.1486486 0.5000000 0.5000000), wk = 0.0031746 k( 199) = ( 0.1621622 0.5000000 0.5000000), wk = 0.0031746 k( 200) = ( 0.1756757 0.5000000 0.5000000), wk = 0.0031746 k( 201) = ( 0.1891892 0.5000000 0.5000000), wk = 0.0031746 k( 202) = ( 0.2027027 0.5000000 0.5000000), wk = 0.0031746 k( 203) = ( 0.2162162 0.5000000 0.5000000), wk = 0.0031746 k( 204) = ( 0.2297297 0.5000000 0.5000000), wk = 0.0031746 k( 205) = ( 0.2432432 0.5000000 0.5000000), wk = 0.0031746 k( 206) = ( 0.2567568 0.5000000 0.5000000), wk = 0.0031746 k( 207) = ( 0.2702703 0.5000000 0.5000000), wk = 0.0031746 k( 208) = ( 0.2837838 0.5000000 0.5000000), wk = 0.0031746 k( 209) = ( 0.2972973 0.5000000 0.5000000), wk = 0.0031746 k( 210) = ( 0.3108108 0.5000000 0.5000000), wk = 0.0031746 k( 211) = ( 0.3243243 0.5000000 0.5000000), wk = 0.0031746 k( 212) = ( 0.3378378 0.5000000 0.5000000), wk = 0.0031746 k( 213) = ( 0.3513514 0.5000000 0.5000000), wk = 0.0031746 k( 214) = ( 0.3648649 0.5000000 0.5000000), wk = 0.0031746 k( 215) = ( 0.3783784 0.5000000 0.5000000), wk = 0.0031746 k( 216) = ( 0.3918919 0.5000000 0.5000000), wk = 0.0031746 k( 217) = ( 0.4054054 0.5000000 0.5000000), wk = 0.0031746 k( 218) = ( 0.4189189 0.5000000 0.5000000), wk = 0.0031746 k( 219) = ( 0.4324324 0.5000000 0.5000000), wk = 0.0031746 k( 220) = ( 0.4459459 0.5000000 0.5000000), wk = 0.0031746 k( 221) = ( 0.4594595 0.5000000 0.5000000), wk = 0.0031746 k( 222) = ( 0.4729730 0.5000000 0.5000000), wk = 0.0031746 k( 223) = ( 0.4864865 0.5000000 0.5000000), wk = 0.0031746 k( 224) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031746 k( 225) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031746 k( 226) = ( 0.4903846 0.4903846 0.5000000), wk = 0.0031746 k( 227) = ( 0.4807692 0.4807692 0.5000000), wk = 0.0031746 k( 228) = ( 0.4711538 0.4711538 0.5000000), wk = 0.0031746 k( 229) = ( 0.4615385 0.4615385 0.5000000), wk = 0.0031746 k( 230) = ( 0.4519231 0.4519231 0.5000000), wk = 0.0031746 k( 231) = ( 0.4423077 0.4423077 0.5000000), wk = 0.0031746 k( 232) = ( 0.4326923 0.4326923 0.5000000), wk = 0.0031746 k( 233) = ( 0.4230769 0.4230769 0.5000000), wk = 0.0031746 k( 234) = ( 0.4134615 0.4134615 0.5000000), wk = 0.0031746 k( 235) = ( 0.4038462 0.4038462 0.5000000), wk = 0.0031746 k( 236) = ( 0.3942308 0.3942308 0.5000000), wk = 0.0031746 k( 237) = ( 0.3846154 0.3846154 0.5000000), wk = 0.0031746 k( 238) = ( 0.3750000 0.3750000 0.5000000), wk = 0.0031746 k( 239) = ( 0.3653846 0.3653846 0.5000000), wk = 0.0031746 k( 240) = ( 0.3557692 0.3557692 0.5000000), wk = 0.0031746 k( 241) = ( 0.3461538 0.3461538 0.5000000), wk = 0.0031746 k( 242) = ( 0.3365385 0.3365385 0.5000000), wk = 0.0031746 k( 243) = ( 0.3269231 0.3269231 0.5000000), wk = 0.0031746 k( 244) = ( 0.3173077 0.3173077 0.5000000), wk = 0.0031746 k( 245) = ( 0.3076923 0.3076923 0.5000000), wk = 0.0031746 k( 246) = ( 0.2980769 0.2980769 0.5000000), wk = 0.0031746 k( 247) = ( 0.2884615 0.2884615 0.5000000), wk = 0.0031746 k( 248) = ( 0.2788462 0.2788462 0.5000000), wk = 0.0031746 k( 249) = ( 0.2692308 0.2692308 0.5000000), wk = 0.0031746 k( 250) = ( 0.2596154 0.2596154 0.5000000), wk = 0.0031746 k( 251) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0031746 k( 252) = ( 0.2403846 0.2403846 0.5000000), wk = 0.0031746 k( 253) = ( 0.2307692 0.2307692 0.5000000), wk = 0.0031746 k( 254) = ( 0.2211539 0.2211539 0.5000000), wk = 0.0031746 k( 255) = ( 0.2115385 0.2115385 0.5000000), wk = 0.0031746 k( 256) = ( 0.2019231 0.2019231 0.5000000), wk = 0.0031746 k( 257) = ( 0.1923077 0.1923077 0.5000000), wk = 0.0031746 k( 258) = ( 0.1826923 0.1826923 0.5000000), wk = 0.0031746 k( 259) = ( 0.1730769 0.1730769 0.5000000), wk = 0.0031746 k( 260) = ( 0.1634615 0.1634615 0.5000000), wk = 0.0031746 k( 261) = ( 0.1538461 0.1538461 0.5000000), wk = 0.0031746 k( 262) = ( 0.1442308 0.1442308 0.5000000), wk = 0.0031746 k( 263) = ( 0.1346154 0.1346154 0.5000000), wk = 0.0031746 k( 264) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0031746 k( 265) = ( 0.1153846 0.1153846 0.5000000), wk = 0.0031746 k( 266) = ( 0.1057692 0.1057692 0.5000000), wk = 0.0031746 k( 267) = ( 0.0961538 0.0961538 0.5000000), wk = 0.0031746 k( 268) = ( 0.0865385 0.0865385 0.5000000), wk = 0.0031746 k( 269) = ( 0.0769231 0.0769231 0.5000000), wk = 0.0031746 k( 270) = ( 0.0673077 0.0673077 0.5000000), wk = 0.0031746 k( 271) = ( 0.0576923 0.0576923 0.5000000), wk = 0.0031746 k( 272) = ( 0.0480769 0.0480769 0.5000000), wk = 0.0031746 k( 273) = ( 0.0384615 0.0384615 0.5000000), wk = 0.0031746 k( 274) = ( 0.0288462 0.0288462 0.5000000), wk = 0.0031746 k( 275) = ( 0.0192308 0.0192308 0.5000000), wk = 0.0031746 k( 276) = ( 0.0096154 0.0096154 0.5000000), wk = 0.0031746 k( 277) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031746 k( 278) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031746 k( 279) = ( 0.0000000 0.5000000 0.0277778), wk = 0.0031746 k( 280) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0031746 k( 281) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0031746 k( 282) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0031746 k( 283) = ( 0.0000000 0.5000000 0.1388889), wk = 0.0031746 k( 284) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0031746 k( 285) = ( 0.0000000 0.5000000 0.1944444), wk = 0.0031746 k( 286) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0031746 k( 287) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0031746 k( 288) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0031746 k( 289) = ( 0.0000000 0.5000000 0.3055556), wk = 0.0031746 k( 290) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0031746 k( 291) = ( 0.0000000 0.5000000 0.3611111), wk = 0.0031746 k( 292) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0031746 k( 293) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0031746 k( 294) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0031746 k( 295) = ( 0.0000000 0.5000000 0.4722222), wk = 0.0031746 k( 296) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0031746 k( 297) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031746 k( 298) = ( 0.5000000 0.5000000 0.0277778), wk = 0.0031746 k( 299) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0031746 k( 300) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0031746 k( 301) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0031746 k( 302) = ( 0.5000000 0.5000000 0.1388889), wk = 0.0031746 k( 303) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0031746 k( 304) = ( 0.5000000 0.5000000 0.1944444), wk = 0.0031746 k( 305) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0031746 k( 306) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0031746 k( 307) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0031746 k( 308) = ( 0.5000000 0.5000000 0.3055556), wk = 0.0031746 k( 309) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0031746 k( 310) = ( 0.5000000 0.5000000 0.3611111), wk = 0.0031746 k( 311) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0031746 k( 312) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0031746 k( 313) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0031746 k( 314) = ( 0.5000000 0.5000000 0.4722222), wk = 0.0031746 k( 315) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031746 Dense grid: 77607 G-vectors FFT dimensions: ( 45, 45, 90) Smooth grid: 36327 G-vectors FFT dimensions: ( 36, 36, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.23 Mb ( 266, 56) NL pseudopotentials 0.41 Mb ( 133, 204) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.02 Mb ( 2160) G-vector shells 0.01 Mb ( 1058) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.91 Mb ( 266, 224) Each subspace H/S matrix 0.05 Mb ( 56, 56) Each matrix 0.35 Mb ( 204, 2, 56) The potential is recalculated from file : ./YTe2.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.7 secs Computing kpt #: 2 total cpu time spent up to now is 3.2 secs Computing kpt #: 3 total cpu time spent up to now is 3.7 secs Computing kpt #: 4 total cpu time spent up to now is 4.2 secs Computing kpt #: 5 total cpu time spent up to now is 4.7 secs Computing kpt #: 6 total cpu time spent up to now is 5.2 secs Computing kpt #: 7 total cpu time spent up to now is 5.7 secs Computing kpt #: 8 total cpu time spent up to now is 6.3 secs Computing kpt #: 9 total cpu time spent up to now is 6.9 secs Computing kpt #: 10 total cpu time spent up to now is 7.5 secs Computing kpt #: 11 total cpu time spent up to now is 8.2 secs Computing kpt #: 12 total cpu time spent up to now is 8.9 secs Computing kpt #: 13 total cpu time spent up to now is 9.7 secs Computing kpt #: 14 total cpu time spent up to now is 10.5 secs Computing kpt #: 15 total cpu time spent up to now is 11.2 secs Computing kpt #: 16 total cpu time spent up to now is 12.2 secs Computing kpt #: 17 total cpu time spent up to now is 13.4 secs Computing kpt #: 18 total cpu time spent up to now is 14.3 secs Computing kpt #: 19 total cpu time spent up to now is 15.2 secs Computing kpt #: 20 total cpu time spent up to now is 16.1 secs Computing kpt #: 21 total cpu time spent up to now is 17.0 secs Computing kpt #: 22 total cpu time spent up to now is 17.9 secs Computing kpt #: 23 total cpu time spent up to now is 18.8 secs Computing kpt #: 24 total cpu time spent up to now is 19.6 secs Computing kpt #: 25 total cpu time spent up to now is 20.5 secs Computing kpt #: 26 total cpu time spent up to now is 21.4 secs Computing kpt #: 27 total cpu time spent up to now is 22.2 secs Computing kpt #: 28 total cpu time spent up to now is 22.9 secs Computing kpt #: 29 total cpu time spent up to now is 23.5 secs Computing kpt #: 30 total cpu time spent up to now is 24.4 secs Computing kpt #: 31 total cpu time spent up to now is 25.3 secs Computing kpt #: 32 total cpu time spent up to now is 25.9 secs Computing kpt #: 33 total cpu time spent up to now is 26.6 secs Computing kpt #: 34 total cpu time spent up to now is 27.2 secs Computing kpt #: 35 total cpu time spent up to now is 27.7 secs Computing kpt #: 36 total cpu time spent up to now is 28.3 secs Computing kpt #: 37 total cpu time spent up to now is 28.8 secs Computing kpt #: 38 total cpu time spent up to now is 29.3 secs Computing kpt #: 39 total cpu time spent up to now is 29.9 secs Computing kpt #: 40 total cpu time spent up to now is 30.4 secs Computing kpt #: 41 total cpu time spent up to now is 31.0 secs Computing kpt #: 42 total cpu time spent up to now is 31.5 secs Computing kpt #: 43 total cpu time spent up to now is 32.1 secs Computing kpt #: 44 total cpu time spent up to now is 32.6 secs Computing kpt #: 45 total cpu time spent up to now is 33.2 secs Computing kpt #: 46 total cpu time spent up to now is 33.8 secs Computing kpt #: 47 total cpu time spent up to now is 34.5 secs Computing kpt #: 48 total cpu time spent up to now is 35.1 secs Computing kpt #: 49 total cpu time spent up to now is 35.8 secs Computing kpt #: 50 total cpu time spent up to now is 36.4 secs Computing kpt #: 51 total cpu time spent up to now is 37.1 secs Computing kpt #: 52 total cpu time spent up to now is 37.8 secs Computing kpt #: 53 total cpu time spent up to now is 38.5 secs Computing kpt #: 54 total cpu time spent up to now is 39.2 secs Computing kpt #: 55 total cpu time spent up to now is 39.9 secs Computing kpt #: 56 total cpu time spent up to now is 40.6 secs Computing kpt #: 57 total cpu time spent up to now is 41.3 secs Computing kpt #: 58 total cpu time spent up to now is 42.2 secs Computing kpt #: 59 total cpu time spent up to now is 43.0 secs Computing kpt #: 60 total cpu time spent up to now is 43.9 secs Computing kpt #: 61 total cpu time spent up to now is 44.8 secs Computing kpt #: 62 total cpu time spent up to now is 45.7 secs Computing kpt #: 63 total cpu time spent up to now is 46.6 secs Computing kpt #: 64 total cpu time spent up to now is 47.4 secs Computing kpt #: 65 total cpu time spent up to now is 48.2 secs Computing kpt #: 66 total cpu time spent up to now is 49.0 secs Computing kpt #: 67 total cpu time spent up to now is 49.7 secs Computing kpt #: 68 total cpu time spent up to now is 50.3 secs Computing kpt #: 69 total cpu time spent up to now is 50.9 secs Computing kpt #: 70 total cpu time spent up to now is 51.5 secs Computing kpt #: 71 total cpu time spent up to now is 52.0 secs Computing kpt #: 72 total cpu time spent up to now is 52.6 secs Computing kpt #: 73 total cpu time spent up to now is 53.1 secs Computing kpt #: 74 total cpu time spent up to now is 53.7 secs Computing kpt #: 75 total cpu time spent up to now is 54.2 secs Computing kpt #: 76 total cpu time spent up to now is 54.7 secs Computing kpt #: 77 total cpu time spent up to now is 55.2 secs Computing kpt #: 78 total cpu time spent up to now is 55.8 secs Computing kpt #: 79 total cpu time spent up to now is 56.3 secs Computing kpt #: 80 total cpu time spent up to now is 56.8 secs Computing kpt #: 81 total cpu time spent up to now is 57.3 secs Computing kpt #: 82 total cpu time spent up to now is 57.9 secs Computing kpt #: 83 total cpu time spent up to now is 58.5 secs Computing kpt #: 84 total cpu time spent up to now is 59.1 secs Computing kpt #: 85 total cpu time spent up to now is 59.7 secs Computing kpt #: 86 total cpu time spent up to now is 60.3 secs Computing kpt #: 87 total cpu time spent up to now is 61.0 secs Computing kpt #: 88 total cpu time spent up to now is 61.7 secs Computing kpt #: 89 total cpu time spent up to now is 62.8 secs Computing kpt #: 90 total cpu time spent up to now is 64.4 secs Computing kpt #: 91 total cpu time spent up to now is 65.5 secs Computing kpt #: 92 total cpu time spent up to now is 66.9 secs Computing kpt #: 93 total cpu time spent up to now is 68.1 secs Computing kpt #: 94 total cpu time spent up to now is 69.2 secs Computing kpt #: 95 total cpu time spent up to now is 70.2 secs Computing kpt #: 96 total cpu time spent up to now is 71.0 secs Computing kpt #: 97 total cpu time spent up to now is 71.8 secs Computing kpt #: 98 total cpu time spent up to now is 72.5 secs Computing kpt #: 99 total cpu time spent up to now is 73.3 secs Computing kpt #: 100 total cpu time spent up to now is 74.2 secs Computing kpt #: 101 total cpu time spent up to now is 74.8 secs Computing kpt #: 102 total cpu time spent up to now is 75.4 secs Computing kpt #: 103 total cpu time spent up to now is 76.0 secs Computing kpt #: 104 total cpu time spent up to now is 76.6 secs Computing kpt #: 105 total cpu time spent up to now is 77.1 secs Computing kpt #: 106 total cpu time spent up to now is 77.7 secs Computing kpt #: 107 total cpu time spent up to now is 78.2 secs Computing kpt #: 108 total cpu time spent up to now is 78.7 secs Computing kpt #: 109 total cpu time spent up to now is 79.3 secs Computing kpt #: 110 total cpu time spent up to now is 79.8 secs Computing kpt #: 111 total cpu time spent up to now is 80.3 secs Computing kpt #: 112 total cpu time spent up to now is 80.8 secs Computing kpt #: 113 total cpu time spent up to now is 81.3 secs Computing kpt #: 114 total cpu time spent up to now is 81.9 secs Computing kpt #: 115 total cpu time spent up to now is 82.4 secs Computing kpt #: 116 total cpu time spent up to now is 82.9 secs Computing kpt #: 117 total cpu time spent up to now is 83.4 secs Computing kpt #: 118 total cpu time spent up to now is 83.9 secs Computing kpt #: 119 total cpu time spent up to now is 84.5 secs Computing kpt #: 120 total cpu time spent up to now is 85.0 secs Computing kpt #: 121 total cpu time spent up to now is 85.5 secs Computing kpt #: 122 total cpu time spent up to now is 86.1 secs Computing kpt #: 123 total cpu time spent up to now is 86.6 secs Computing kpt #: 124 total cpu time spent up to now is 87.1 secs Computing kpt #: 125 total cpu time spent up to now is 87.6 secs Computing kpt #: 126 total cpu time spent up to now is 88.1 secs Computing kpt #: 127 total cpu time spent up to now is 88.6 secs Computing kpt #: 128 total cpu time spent up to now is 89.1 secs Computing kpt #: 129 total cpu time spent up to now is 89.6 secs Computing kpt #: 130 total cpu time spent up to now is 90.1 secs Computing kpt #: 131 total cpu time spent up to now is 90.6 secs Computing kpt #: 132 total cpu time spent up to now is 91.1 secs Computing kpt #: 133 total cpu time spent up to now is 91.6 secs Computing kpt #: 134 total cpu time spent up to now is 92.1 secs Computing kpt #: 135 total cpu time spent up to now is 92.6 secs Computing kpt #: 136 total cpu time spent up to now is 93.1 secs Computing kpt #: 137 total cpu time spent up to now is 93.6 secs Computing kpt #: 138 total cpu time spent up to now is 94.1 secs Computing kpt #: 139 total cpu time spent up to now is 94.6 secs Computing kpt #: 140 total cpu time spent up to now is 95.2 secs Computing kpt #: 141 total cpu time spent up to now is 95.7 secs Computing kpt #: 142 total cpu time spent up to now is 96.2 secs Computing kpt #: 143 total cpu time spent up to now is 96.7 secs Computing kpt #: 144 total cpu time spent up to now is 97.2 secs Computing kpt #: 145 total cpu time spent up to now is 97.8 secs Computing kpt #: 146 total cpu time spent up to now is 98.5 secs Computing kpt #: 147 total cpu time spent up to now is 99.1 secs Computing kpt #: 148 total cpu time spent up to now is 99.9 secs Computing kpt #: 149 total cpu time spent up to now is 100.6 secs Computing kpt #: 150 total cpu time spent up to now is 101.4 secs Computing kpt #: 151 total cpu time spent up to now is 102.0 secs Computing kpt #: 152 total cpu time spent up to now is 102.8 secs Computing kpt #: 153 total cpu time spent up to now is 103.7 secs Computing kpt #: 154 total cpu time spent up to now is 104.5 secs Computing kpt #: 155 total cpu time spent up to now is 105.5 secs Computing kpt #: 156 total cpu time spent up to now is 106.8 secs Computing kpt #: 157 total cpu time spent up to now is 107.6 secs Computing kpt #: 158 total cpu time spent up to now is 108.7 secs Computing kpt #: 159 total cpu time spent up to now is 109.8 secs Computing kpt #: 160 total cpu time spent up to now is 110.6 secs Computing kpt #: 161 total cpu time spent up to now is 111.5 secs Computing kpt #: 162 total cpu time spent up to now is 112.4 secs Computing kpt #: 163 total cpu time spent up to now is 113.3 secs Computing kpt #: 164 total cpu time spent up to now is 114.4 secs Computing kpt #: 165 total cpu time spent up to now is 115.2 secs Computing kpt #: 166 total cpu time spent up to now is 116.2 secs Computing kpt #: 167 total cpu time spent up to now is 117.5 secs Computing kpt #: 168 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 119.1 secs Computing kpt #: 169 total cpu time spent up to now is 120.6 secs Computing kpt #: 170 total cpu time spent up to now is 122.0 secs Computing kpt #: 171 total cpu time spent up to now is 122.9 secs Computing kpt #: 172 total cpu time spent up to now is 123.7 secs Computing kpt #: 173 total cpu time spent up to now is 124.5 secs Computing kpt #: 174 total cpu time spent up to now is 125.4 secs Computing kpt #: 175 total cpu time spent up to now is 126.3 secs Computing kpt #: 176 total cpu time spent up to now is 127.1 secs Computing kpt #: 177 total cpu time spent up to now is 128.0 secs Computing kpt #: 178 total cpu time spent up to now is 128.7 secs Computing kpt #: 179 total cpu time spent up to now is 129.5 secs Computing kpt #: 180 total cpu time spent up to now is 130.3 secs Computing kpt #: 181 total cpu time spent up to now is 131.3 secs Computing kpt #: 182 total cpu time spent up to now is 132.4 secs Computing kpt #: 183 total cpu time spent up to now is 133.2 secs Computing kpt #: 184 total cpu time spent up to now is 133.9 secs Computing kpt #: 185 total cpu time spent up to now is 134.6 secs Computing kpt #: 186 total cpu time spent up to now is 135.3 secs Computing kpt #: 187 total cpu time spent up to now is 136.0 secs Computing kpt #: 188 total cpu time spent up to now is 136.6 secs Computing kpt #: 189 total cpu time spent up to now is 137.2 secs Computing kpt #: 190 total cpu time spent up to now is 137.9 secs Computing kpt #: 191 total cpu time spent up to now is 138.7 secs Computing kpt #: 192 total cpu time spent up to now is 139.4 secs Computing kpt #: 193 total cpu time spent up to now is 140.2 secs Computing kpt #: 194 total cpu time spent up to now is 140.9 secs Computing kpt #: 195 total cpu time spent up to now is 141.6 secs Computing kpt #: 196 total cpu time spent up to now is 142.3 secs Computing kpt #: 197 total cpu time spent up to now is 143.0 secs Computing kpt #: 198 total cpu time spent up to now is 143.7 secs Computing kpt #: 199 total cpu time spent up to now is 144.4 secs Computing kpt #: 200 total cpu time spent up to now is 145.1 secs Computing kpt #: 201 total cpu time spent up to now is 145.7 secs Computing kpt #: 202 total cpu time spent up to now is 146.4 secs Computing kpt #: 203 total cpu time spent up to now is 147.0 secs Computing kpt #: 204 total cpu time spent up to now is 147.7 secs Computing kpt #: 205 total cpu time spent up to now is 148.3 secs Computing kpt #: 206 total cpu time spent up to now is 149.0 secs Computing kpt #: 207 total cpu time spent up to now is 149.7 secs Computing kpt #: 208 total cpu time spent up to now is 150.4 secs Computing kpt #: 209 total cpu time spent up to now is 151.0 secs Computing kpt #: 210 total cpu time spent up to now is 151.7 secs Computing kpt #: 211 total cpu time spent up to now is 152.4 secs Computing kpt #: 212 total cpu time spent up to now is 153.0 secs Computing kpt #: 213 total cpu time spent up to now is 153.7 secs Computing kpt #: 214 total cpu time spent up to now is 154.3 secs Computing kpt #: 215 total cpu time spent up to now is 155.0 secs Computing kpt #: 216 total cpu time spent up to now is 155.6 secs Computing kpt #: 217 total cpu time spent up to now is 156.2 secs Computing kpt #: 218 total cpu time spent up to now is 156.9 secs Computing kpt #: 219 total cpu time spent up to now is 157.6 secs Computing kpt #: 220 total cpu time spent up to now is 158.4 secs Computing kpt #: 221 total cpu time spent up to now is 159.3 secs Computing kpt #: 222 total cpu time spent up to now is 160.1 secs Computing kpt #: 223 total cpu time spent up to now is 161.0 secs Computing kpt #: 224 total cpu time spent up to now is 161.9 secs Computing kpt #: 225 total cpu time spent up to now is 162.7 secs Computing kpt #: 226 total cpu time spent up to now is 163.6 secs Computing kpt #: 227 total cpu time spent up to now is 164.5 secs Computing kpt #: 228 total cpu time spent up to now is 165.2 secs Computing kpt #: 229 total cpu time spent up to now is 166.1 secs Computing kpt #: 230 total cpu time spent up to now is 166.9 secs Computing kpt #: 231 total cpu time spent up to now is 167.8 secs Computing kpt #: 232 total cpu time spent up to now is 168.5 secs Computing kpt #: 233 total cpu time spent up to now is 169.2 secs Computing kpt #: 234 total cpu time spent up to now is 169.9 secs Computing kpt #: 235 total cpu time spent up to now is 170.7 secs Computing kpt #: 236 total cpu time spent up to now is 171.4 secs Computing kpt #: 237 total cpu time spent up to now is 172.1 secs Computing kpt #: 238 total cpu time spent up to now is 172.8 secs Computing kpt #: 239 total cpu time spent up to now is 173.6 secs Computing kpt #: 240 total cpu time spent up to now is 174.3 secs Computing kpt #: 241 total cpu time spent up to now is 175.0 secs Computing kpt #: 242 total cpu time spent up to now is 176.0 secs Computing kpt #: 243 total cpu time spent up to now is 177.0 secs Computing kpt #: 244 total cpu time spent up to now is 177.8 secs Computing kpt #: 245 total cpu time spent up to now is 178.9 secs Computing kpt #: 246 total cpu time spent up to now is 179.8 secs Computing kpt #: 247 total cpu time spent up to now is 180.6 secs Computing kpt #: 248 total cpu time spent up to now is 181.6 secs Computing kpt #: 249 total cpu time spent up to now is 182.4 secs Computing kpt #: 250 total cpu time spent up to now is 183.2 secs Computing kpt #: 251 total cpu time spent up to now is 184.0 secs Computing kpt #: 252 total cpu time spent up to now is 184.6 secs Computing kpt #: 253 total cpu time spent up to now is 185.4 secs Computing kpt #: 254 total cpu time spent up to now is 186.1 secs Computing kpt #: 255 total cpu time spent up to now is 186.9 secs Computing kpt #: 256 total cpu time spent up to now is 187.6 secs Computing kpt #: 257 total cpu time spent up to now is 188.3 secs Computing kpt #: 258 total cpu time spent up to now is 189.1 secs Computing kpt #: 259 total cpu time spent up to now is 189.8 secs Computing kpt #: 260 total cpu time spent up to now is 190.7 secs Computing kpt #: 261 total cpu time spent up to now is 191.7 secs Computing kpt #: 262 total cpu time spent up to now is 192.6 secs Computing kpt #: 263 total cpu time spent up to now is 193.9 secs Computing kpt #: 264 total cpu time spent up to now is 195.1 secs Computing kpt #: 265 total cpu time spent up to now is 196.5 secs Computing kpt #: 266 total cpu time spent up to now is 197.6 secs Computing kpt #: 267 total cpu time spent up to now is 198.7 secs Computing kpt #: 268 total cpu time spent up to now is 199.6 secs Computing kpt #: 269 total cpu time spent up to now is 200.5 secs Computing kpt #: 270 total cpu time spent up to now is 201.3 secs Computing kpt #: 271 total cpu time spent up to now is 202.2 secs Computing kpt #: 272 total cpu time spent up to now is 203.0 secs Computing kpt #: 273 total cpu time spent up to now is 203.8 secs Computing kpt #: 274 total cpu time spent up to now is 204.7 secs Computing kpt #: 275 total cpu time spent up to now is 205.8 secs Computing kpt #: 276 total cpu time spent up to now is 206.7 secs Computing kpt #: 277 total cpu time spent up to now is 207.5 secs Computing kpt #: 278 total cpu time spent up to now is 208.1 secs Computing kpt #: 279 total cpu time spent up to now is 208.6 secs Computing kpt #: 280 total cpu time spent up to now is 209.1 secs Computing kpt #: 281 total cpu time spent up to now is 209.7 secs Computing kpt #: 282 total cpu time spent up to now is 210.2 secs Computing kpt #: 283 total cpu time spent up to now is 210.9 secs Computing kpt #: 284 total cpu time spent up to now is 211.5 secs Computing kpt #: 285 total cpu time spent up to now is 212.1 secs Computing kpt #: 286 total cpu time spent up to now is 212.7 secs Computing kpt #: 287 total cpu time spent up to now is 213.3 secs Computing kpt #: 288 total cpu time spent up to now is 213.9 secs Computing kpt #: 289 total cpu time spent up to now is 214.6 secs Computing kpt #: 290 total cpu time spent up to now is 215.3 secs Computing kpt #: 291 total cpu time spent up to now is 215.9 secs Computing kpt #: 292 total cpu time spent up to now is 216.6 secs Computing kpt #: 293 total cpu time spent up to now is 217.2 secs Computing kpt #: 294 total cpu time spent up to now is 217.9 secs Computing kpt #: 295 total cpu time spent up to now is 218.6 secs Computing kpt #: 296 total cpu time spent up to now is 219.4 secs Computing kpt #: 297 total cpu time spent up to now is 220.1 secs Computing kpt #: 298 total cpu time spent up to now is 220.6 secs Computing kpt #: 299 total cpu time spent up to now is 221.2 secs Computing kpt #: 300 total cpu time spent up to now is 221.7 secs Computing kpt #: 301 total cpu time spent up to now is 222.4 secs Computing kpt #: 302 total cpu time spent up to now is 223.0 secs Computing kpt #: 303 total cpu time spent up to now is 223.7 secs Computing kpt #: 304 total cpu time spent up to now is 224.6 secs Computing kpt #: 305 total cpu time spent up to now is 225.4 secs Computing kpt #: 306 total cpu time spent up to now is 226.3 secs Computing kpt #: 307 total cpu time spent up to now is 227.3 secs Computing kpt #: 308 total cpu time spent up to now is 228.1 secs Computing kpt #: 309 total cpu time spent up to now is 229.0 secs Computing kpt #: 310 total cpu time spent up to now is 229.9 secs Computing kpt #: 311 total cpu time spent up to now is 230.7 secs Computing kpt #: 312 total cpu time spent up to now is 231.5 secs Computing kpt #: 313 total cpu time spent up to now is 232.3 secs Computing kpt #: 314 total cpu time spent up to now is 233.2 secs Computing kpt #: 315 total cpu time spent up to now is 234.0 secs ethr = 2.17E-08, avg # of iterations = 34.7 total cpu time spent up to now is 234.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4541 PWs) bands (ev): -33.4847 -33.4847 -33.4840 -33.4840 -14.4697 -14.4697 -14.4593 -14.4593 -13.0565 -13.0565 -13.0309 -13.0309 -13.0116 -13.0116 -13.0072 -13.0072 -4.1656 -4.1656 -1.7629 -1.7629 -1.0440 -1.0440 0.7623 0.7623 4.5849 4.5849 4.6231 4.6231 5.1451 5.1451 6.0273 6.0273 7.2860 7.2860 7.6325 7.6325 7.7223 7.7223 8.4454 8.4454 9.1848 9.1848 9.3782 9.3782 9.6986 9.6986 10.4950 10.4950 10.6773 10.6773 10.9003 10.9003 11.4498 11.4498 11.6612 11.6612 k = 0.0000 0.0135-0.0000 ( 4541 PWs) bands (ev): -33.4846 -33.4846 -33.4840 -33.4840 -14.4697 -14.4697 -14.4593 -14.4593 -13.0565 -13.0565 -13.0310 -13.0310 -13.0116 -13.0116 -13.0073 -13.0073 -4.1642 -4.1642 -1.7620 -1.7620 -1.0434 -1.0434 0.7573 0.7573 4.5845 4.5845 4.6258 4.6258 5.1476 5.1476 6.0282 6.0282 7.2837 7.2837 7.6286 7.6286 7.7190 7.7190 8.4433 8.4433 9.1790 9.1790 9.3786 9.3786 9.7041 9.7041 10.4973 10.4973 10.6747 10.6747 10.8972 10.8972 11.4542 11.4542 11.6616 11.6616 k = 0.0000 0.0270-0.0000 ( 4547 PWs) bands (ev): -33.4847 -33.4847 -33.4840 -33.4840 -14.4698 -14.4698 -14.4594 -14.4594 -13.0565 -13.0565 -13.0310 -13.0310 -13.0118 -13.0118 -13.0075 -13.0075 -4.1601 -4.1601 -1.7593 -1.7593 -1.0416 -1.0416 0.7425 0.7425 4.5832 4.5832 4.6340 4.6340 5.1551 5.1551 6.0310 6.0310 7.2768 7.2768 7.6167 7.6167 7.7097 7.7097 8.4369 8.4369 9.1617 9.1617 9.3797 9.3797 9.7208 9.7208 10.5037 10.5037 10.6672 10.6672 10.8880 10.8880 11.4671 11.4671 11.6625 11.6625 k = 0.0000 0.0405-0.0000 ( 4555 PWs) bands (ev): -33.4847 -33.4847 -33.4840 -33.4840 -14.4699 -14.4699 -14.4596 -14.4596 -13.0565 -13.0565 -13.0311 -13.0311 -13.0121 -13.0121 -13.0078 -13.0078 -4.1533 -4.1533 -1.7548 -1.7548 -1.0388 -1.0388 0.7181 0.7181 4.5812 4.5812 4.6474 4.6474 5.1677 5.1677 6.0355 6.0355 7.2652 7.2652 7.5968 7.5968 7.6950 7.6950 8.4264 8.4264 9.1337 9.1337 9.3809 9.3809 9.7487 9.7487 10.5129 10.5129 10.6564 10.6564 10.8730 10.8730 11.4871 11.4871 11.6642 11.6642 k = 0.0000 0.0541-0.0000 ( 4561 PWs) bands (ev): -33.4846 -33.4846 -33.4840 -33.4840 -14.4700 -14.4700 -14.4598 -14.4598 -13.0564 -13.0564 -13.0313 -13.0313 -13.0125 -13.0125 -13.0082 -13.0082 -4.1438 -4.1438 -1.7486 -1.7486 -1.0348 -1.0348 0.6844 0.6844 4.5783 4.5783 4.6658 4.6658 5.1853 5.1853 6.0418 6.0418 7.2488 7.2488 7.5691 7.5691 7.6763 7.6763 8.4118 8.4118 9.0963 9.0963 9.3818 9.3818 9.7875 9.7875 10.5212 10.5212 10.6456 10.6456 10.8526 10.8526 11.5122 11.5122 11.6666 11.6666 k = 0.0000 0.0676-0.0000 ( 4564 PWs) bands (ev): -33.4846 -33.4846 -33.4839 -33.4839 -14.4702 -14.4702 -14.4600 -14.4600 -13.0564 -13.0564 -13.0315 -13.0315 -13.0130 -13.0130 -13.0087 -13.0087 -4.1316 -4.1316 -1.7406 -1.7406 -1.0297 -1.0297 0.6420 0.6420 4.5745 4.5745 4.6887 4.6887 5.2079 5.2079 6.0497 6.0497 7.2277 7.2277 7.5336 7.5336 7.6550 7.6550 8.3932 8.3932 9.0508 9.0508 9.3817 9.3817 9.8369 9.8369 10.5212 10.5212 10.6426 10.6426 10.8272 10.8272 11.5399 11.5399 11.6698 11.6698 k = 0.0000 0.0811-0.0000 ( 4560 PWs) bands (ev): -33.4845 -33.4845 -33.4839 -33.4839 -14.4704 -14.4704 -14.4603 -14.4603 -13.0564 -13.0564 -13.0317 -13.0317 -13.0136 -13.0136 -13.0093 -13.0093 -4.1167 -4.1167 -1.7309 -1.7309 -1.0237 -1.0237 0.5912 0.5912 4.5698 4.5698 4.7158 4.7158 5.2355 5.2355 6.0590 6.0590 7.2020 7.2020 7.4906 7.4906 7.6323 7.6323 8.3709 8.3709 8.9990 8.9990 9.3803 9.3803 9.8959 9.8959 10.5051 10.5051 10.6546 10.6546 10.7972 10.7972 11.5671 11.5671 11.6739 11.6739 k = 0.0000 0.0946-0.0000 ( 4556 PWs) bands (ev): -33.4845 -33.4845 -33.4839 -33.4839 -14.4706 -14.4706 -14.4607 -14.4607 -13.0564 -13.0564 -13.0321 -13.0321 -13.0142 -13.0142 -13.0100 -13.0100 -4.0990 -4.0990 -1.7195 -1.7195 -1.0167 -1.0167 0.5329 0.5329 4.5642 4.5642 4.7466 4.7466 5.2680 5.2680 6.0697 6.0697 7.1720 7.1720 7.4406 7.4406 7.6095 7.6095 8.3451 8.3451 8.9422 8.9422 9.3773 9.3773 9.9634 9.9634 10.4734 10.4734 10.6809 10.6809 10.7632 10.7632 11.5901 11.5901 11.6789 11.6789 k = 0.0000 0.1081-0.0000 ( 4548 PWs) bands (ev): -33.4844 -33.4844 -33.4838 -33.4838 -14.4709 -14.4709 -14.4611 -14.4611 -13.0564 -13.0564 -13.0325 -13.0325 -13.0150 -13.0150 -13.0107 -13.0107 -4.0787 -4.0787 -1.7064 -1.7064 -1.0088 -1.0088 0.4675 0.4675 4.5575 4.5575 4.7808 4.7808 5.3053 5.3053 6.0814 6.0814 7.1382 7.1382 7.3843 7.3843 7.5874 7.5874 8.3162 8.3162 8.8818 8.8818 9.3725 9.3725 10.0381 10.0381 10.4302 10.4302 10.7169 10.7169 10.7255 10.7255 11.6038 11.6038 11.6845 11.6845 k = 0.0000 0.1216-0.0000 ( 4552 PWs) bands (ev): -33.4843 -33.4843 -33.4837 -33.4837 -14.4712 -14.4712 -14.4616 -14.4616 -13.0564 -13.0564 -13.0330 -13.0330 -13.0157 -13.0157 -13.0115 -13.0115 -4.0557 -4.0557 -1.6917 -1.6917 -1.0002 -1.0002 0.3959 0.3959 4.5499 4.5499 4.8179 4.8179 5.3471 5.3471 6.0938 6.0938 7.1011 7.1011 7.3227 7.3227 7.5664 7.5664 8.2845 8.2845 8.8190 8.8190 9.3655 9.3655 10.1181 10.1181 10.3785 10.3785 10.6844 10.6844 10.7594 10.7594 11.5996 11.5996 11.6904 11.6904 k = 0.0000 0.1351-0.0000 ( 4556 PWs) bands (ev): -33.4843 -33.4843 -33.4837 -33.4837 -14.4715 -14.4715 -14.4621 -14.4621 -13.0565 -13.0565 -13.0337 -13.0337 -13.0166 -13.0166 -13.0123 -13.0123 -4.0300 -4.0300 -1.6754 -1.6754 -0.9910 -0.9910 0.3185 0.3185 4.5412 4.5412 4.8577 4.8577 5.3935 5.3935 6.1064 6.1064 7.0613 7.0613 7.2576 7.2576 7.5468 7.5468 8.2500 8.2500 8.7548 8.7548 9.3558 9.3558 10.1975 10.1975 10.3242 10.3242 10.6401 10.6401 10.8069 10.8069 11.5672 11.5672 11.6971 11.6971 k = 0.0000 0.1486-0.0000 ( 4544 PWs) bands (ev): -33.4842 -33.4842 -33.4836 -33.4836 -14.4718 -14.4718 -14.4626 -14.4626 -13.0566 -13.0566 -13.0345 -13.0345 -13.0174 -13.0174 -13.0130 -13.0130 -4.0016 -4.0016 -1.6576 -1.6576 -0.9812 -0.9812 0.2363 0.2363 4.5314 4.5314 4.8998 4.8998 5.4440 5.4440 6.1186 6.1186 7.0187 7.0187 7.1911 7.1911 7.5288 7.5288 8.2130 8.2130 8.6901 8.6901 9.3430 9.3430 10.2192 10.2192 10.3240 10.3240 10.5923 10.5923 10.8583 10.8583 11.5115 11.5115 11.7052 11.7052 k = 0.0000 0.1622-0.0000 ( 4556 PWs) bands (ev): -33.4841 -33.4841 -33.4835 -33.4835 -14.4722 -14.4722 -14.4632 -14.4632 -13.0568 -13.0568 -13.0354 -13.0354 -13.0182 -13.0182 -13.0137 -13.0137 -3.9706 -3.9706 -1.6383 -1.6383 -0.9711 -0.9711 0.1496 0.1496 4.5207 4.5207 4.9442 4.9442 5.4985 5.4985 6.1294 6.1294 6.9726 6.9726 7.1268 7.1268 7.5122 7.5122 8.1734 8.1734 8.6254 8.6254 9.3263 9.3263 10.1536 10.1536 10.4071 10.4071 10.5401 10.5401 10.9127 10.9127 11.4475 11.4475 11.7149 11.7149 k = 0.0000 0.1757-0.0000 ( 4554 PWs) bands (ev): -33.4840 -33.4840 -33.4835 -33.4835 -14.4726 -14.4726 -14.4639 -14.4639 -13.0570 -13.0570 -13.0364 -13.0364 -13.0191 -13.0191 -13.0143 -13.0143 -3.9370 -3.9370 -1.6175 -1.6175 -0.9608 -0.9608 0.0592 0.0592 4.5090 4.5090 4.9906 4.9906 5.5567 5.5567 6.1376 6.1376 6.9219 6.9219 7.0687 7.0687 7.4970 7.4970 8.1314 8.1314 8.5613 8.5613 9.3052 9.3052 10.0717 10.0717 10.4816 10.4816 10.5030 10.5030 10.9693 10.9693 11.3856 11.3856 11.7257 11.7257 k = 0.0000 0.1892-0.0000 ( 4550 PWs) bands (ev): -33.4839 -33.4839 -33.4834 -33.4834 -14.4730 -14.4730 -14.4645 -14.4645 -13.0573 -13.0573 -13.0376 -13.0376 -13.0199 -13.0199 -13.0149 -13.0149 -3.9007 -3.9007 -1.5954 -1.5954 -0.9505 -0.9505 -0.0342 -0.0342 4.4965 4.4965 5.0389 5.0389 5.6183 5.6183 6.1415 6.1415 6.8664 6.8664 7.0204 7.0204 7.4832 7.4832 8.0872 8.0872 8.4980 8.4980 9.2788 9.2788 9.9828 9.9828 10.4161 10.4161 10.6018 10.6018 11.0274 11.0274 11.3317 11.3317 11.7375 11.7375 k = 0.0000 0.2027-0.0000 ( 4544 PWs) bands (ev): -33.4838 -33.4838 -33.4833 -33.4833 -14.4734 -14.4734 -14.4652 -14.4652 -13.0577 -13.0577 -13.0390 -13.0390 -13.0206 -13.0206 -13.0153 -13.0153 -3.8618 -3.8618 -1.5719 -1.5719 -0.9405 -0.9405 -0.1302 -0.1302 4.4832 4.4832 5.0891 5.0891 5.6830 5.6830 6.1389 6.1389 6.8089 6.8089 6.9828 6.9828 7.4707 7.4707 8.0408 8.0408 8.4356 8.4356 9.2464 9.2464 9.8895 9.8895 10.3416 10.3416 10.7022 10.7022 11.0860 11.0860 11.2896 11.2896 11.7503 11.7504 k = 0.0000 0.2162-0.0000 ( 4554 PWs) bands (ev): -33.4837 -33.4837 -33.4832 -33.4832 -14.4738 -14.4738 -14.4659 -14.4659 -13.0581 -13.0581 -13.0405 -13.0405 -13.0212 -13.0212 -13.0158 -13.0158 -3.8204 -3.8204 -1.5473 -1.5473 -0.9311 -0.9311 -0.2281 -0.2281 4.4695 4.4695 5.1409 5.1409 5.7504 5.7504 6.1270 6.1270 6.7544 6.7544 6.9550 6.9550 7.4595 7.4595 7.9926 7.9926 8.3744 8.3744 9.2070 9.2070 9.7935 9.7935 10.2578 10.2578 10.8028 10.8028 11.1435 11.1435 11.2621 11.2621 11.7645 11.7645 k = 0.0000 0.2297-0.0000 ( 4550 PWs) bands (ev): -33.4836 -33.4836 -33.4831 -33.4831 -14.4743 -14.4743 -14.4666 -14.4666 -13.0587 -13.0587 -13.0421 -13.0421 -13.0218 -13.0218 -13.0161 -13.0161 -3.7763 -3.7763 -1.5215 -1.5215 -0.9227 -0.9227 -0.3272 -0.3272 4.4554 4.4554 5.1943 5.1943 5.8203 5.8203 6.1033 6.1033 6.7080 6.7080 6.9357 6.9357 7.4497 7.4497 7.9428 7.9428 8.3143 8.3143 9.1598 9.1598 9.6967 9.6967 10.1648 10.1648 10.9026 10.9026 11.1941 11.1941 11.2547 11.2547 11.7802 11.7802 k = 0.0000 0.2432-0.0000 ( 4558 PWs) bands (ev): -33.4835 -33.4835 -33.4831 -33.4831 -14.4747 -14.4747 -14.4674 -14.4674 -13.0593 -13.0593 -13.0438 -13.0438 -13.0223 -13.0223 -13.0164 -13.0164 -3.7298 -3.7298 -1.4947 -1.4947 -0.9160 -0.9160 -0.4265 -0.4265 4.4413 4.4413 5.2489 5.2489 5.8920 5.8920 6.0668 6.0668 6.6728 6.6728 6.9243 6.9243 7.4413 7.4413 7.8919 7.8919 8.2553 8.2553 9.1040 9.1040 9.6004 9.6004 10.0638 10.0638 11.0004 11.0004 11.2212 11.2212 11.2829 11.2829 11.7977 11.7977 k = 0.0000 0.2568-0.0000 ( 4550 PWs) bands (ev): -33.4834 -33.4834 -33.4830 -33.4830 -14.4752 -14.4752 -14.4681 -14.4681 -13.0600 -13.0600 -13.0455 -13.0455 -13.0227 -13.0227 -13.0166 -13.0166 -3.6806 -3.6806 -1.4669 -1.4669 -0.9123 -0.9123 -0.5246 -0.5246 4.4274 4.4274 5.3042 5.3042 5.9609 5.9609 6.0224 6.0224 6.6497 6.6497 6.9203 6.9203 7.4345 7.4345 7.8402 7.8402 8.1973 8.1973 9.0391 9.0391 9.5062 9.5062 9.9561 9.9561 11.0952 11.0952 11.2369 11.2369 11.3331 11.3331 11.8168 11.8168 k = 0.0000 0.2703-0.0000 ( 4550 PWs) bands (ev): -33.4833 -33.4833 -33.4829 -33.4829 -14.4756 -14.4756 -14.4689 -14.4689 -13.0608 -13.0608 -13.0473 -13.0473 -13.0230 -13.0230 -13.0168 -13.0168 -3.6290 -3.6290 -1.4382 -1.4382 -0.9144 -0.9144 -0.6187 -0.6187 4.4141 4.4141 5.3593 5.3593 5.9492 5.9492 6.0508 6.0508 6.6375 6.6375 6.9235 6.9235 7.4292 7.4292 7.7882 7.7882 8.1405 8.1405 8.9649 8.9649 9.4147 9.4147 9.8431 9.8431 11.1848 11.1848 11.2594 11.2594 11.3864 11.3864 11.8375 11.8375 k = 0.0000 0.2838-0.0000 ( 4562 PWs) bands (ev): -33.4832 -33.4832 -33.4828 -33.4828 -14.4760 -14.4760 -14.4697 -14.4697 -13.0616 -13.0616 -13.0492 -13.0492 -13.0231 -13.0231 -13.0169 -13.0169 -3.5749 -3.5749 -1.4088 -1.4088 -0.9285 -0.9285 -0.7022 -0.7022 4.4018 4.4018 5.4121 5.4121 5.8872 5.8872 6.1266 6.1266 6.6341 6.6341 6.9334 6.9334 7.4256 7.4256 7.7364 7.7364 8.0848 8.0848 8.8820 8.8820 9.3264 9.3264 9.7263 9.7263 11.2623 11.2623 11.2960 11.2960 11.4401 11.4401 11.8597 11.8597 k = 0.0000 0.2973-0.0000 ( 4558 PWs) bands (ev): -33.4831 -33.4831 -33.4827 -33.4827 -14.4764 -14.4764 -14.4704 -14.4704 -13.0625 -13.0625 -13.0510 -13.0510 -13.0232 -13.0232 -13.0170 -13.0170 -3.5183 -3.5183 -1.3788 -1.3788 -0.9665 -0.9665 -0.7633 -0.7633 4.3909 4.3909 5.4577 5.4577 5.8262 5.8262 6.2058 6.2058 6.6373 6.6373 6.9492 6.9492 7.4237 7.4237 7.6852 7.6852 8.0303 8.0303 8.7916 8.7916 9.2408 9.2408 9.6066 9.6066 11.3129 11.3129 11.3580 11.3580 11.4961 11.4961 11.8832 11.8832 k = 0.0000 0.3108-0.0000 ( 4552 PWs) bands (ev): -33.4830 -33.4830 -33.4827 -33.4827 -14.4768 -14.4768 -14.4712 -14.4712 -13.0634 -13.0634 -13.0529 -13.0529 -13.0232 -13.0232 -13.0171 -13.0171 -3.4593 -3.4593 -1.3483 -1.3483 -1.0346 -1.0346 -0.7955 -0.7955 4.3817 4.3817 5.4845 5.4845 5.7818 5.7818 6.2866 6.2866 6.6456 6.6456 6.9700 6.9700 7.4235 7.4235 7.6353 7.6353 7.9774 7.9774 8.6953 8.6953 9.1573 9.1573 9.4852 9.4852 11.3565 11.3565 11.4208 11.4208 11.5579 11.5579 11.9078 11.9079 k = 0.0000 0.3243-0.0000 ( 4552 PWs) bands (ev): -33.4829 -33.4829 -33.4826 -33.4826 -14.4772 -14.4772 -14.4719 -14.4719 -13.0643 -13.0643 -13.0547 -13.0547 -13.0232 -13.0232 -13.0172 -13.0172 -3.3978 -3.3978 -1.3175 -1.3175 -1.1223 -1.1223 -0.8095 -0.8095 4.3746 4.3746 5.4752 5.4752 5.7734 5.7734 6.3681 6.3681 6.6583 6.6583 6.9945 6.9945 7.4245 7.4245 7.5876 7.5876 7.9265 7.9265 8.5947 8.5947 9.0751 9.0751 9.3628 9.3628 11.4026 11.4026 11.4730 11.4730 11.6275 11.6275 11.9333 11.9333 k = 0.0000 0.3378-0.0000 ( 4560 PWs) bands (ev): -33.4828 -33.4828 -33.4825 -33.4825 -14.4775 -14.4775 -14.4726 -14.4726 -13.0652 -13.0652 -13.0565 -13.0565 -13.0230 -13.0230 -13.0173 -13.0173 -3.3340 -3.3340 -1.2867 -1.2867 -1.2184 -1.2184 -0.8160 -0.8160 4.3701 4.3701 5.4286 5.4286 5.8035 5.8035 6.4497 6.4497 6.6753 6.6753 7.0213 7.0213 7.4260 7.4260 7.5435 7.5435 7.8783 7.8783 8.4914 8.4914 8.9934 8.9934 9.2401 9.2401 11.4507 11.4507 11.5164 11.5164 11.7030 11.7030 11.9595 11.9595 k = 0.0000 0.3514-0.0000 ( 4552 PWs) bands (ev): -33.4827 -33.4827 -33.4824 -33.4824 -14.4778 -14.4778 -14.4733 -14.4733 -13.0661 -13.0661 -13.0582 -13.0582 -13.0229 -13.0229 -13.0174 -13.0174 -3.2678 -3.2678 -1.3194 -1.3194 -1.2543 -1.2543 -0.8202 -0.8202 4.3685 4.3685 5.3617 5.3617 5.8562 5.8562 6.5294 6.5294 6.6976 6.6976 7.0485 7.0485 7.4252 7.4252 7.5063 7.5063 7.8339 7.8339 8.3870 8.3870 8.9116 8.9116 9.1179 9.1179 11.4990 11.4990 11.5553 11.5553 11.7819 11.7819 11.9860 11.9860 k = 0.0000 0.3649-0.0000 ( 4548 PWs) bands (ev): -33.4826 -33.4826 -33.4824 -33.4824 -14.4781 -14.4781 -14.4740 -14.4740 -13.0669 -13.0669 -13.0598 -13.0598 -13.0226 -13.0226 -13.0175 -13.0175 -3.1993 -3.1993 -1.4204 -1.4204 -1.2235 -1.2235 -0.8241 -0.8241 4.3701 4.3701 5.2866 5.2866 5.9200 5.9200 6.6035 6.6035 6.7282 6.7282 7.0735 7.0735 7.4168 7.4168 7.4819 7.4819 7.7955 7.7955 8.2827 8.2827 8.8293 8.8293 8.9969 8.9969 11.5444 11.5444 11.5936 11.5936 11.8621 11.8621 12.0126 12.0126 k = 0.0000 0.3784-0.0000 ( 4550 PWs) bands (ev): -33.4826 -33.4826 -33.4823 -33.4823 -14.4784 -14.4784 -14.4747 -14.4747 -13.0677 -13.0677 -13.0614 -13.0614 -13.0223 -13.0223 -13.0176 -13.0176 -3.1285 -3.1285 -1.5220 -1.5220 -1.1925 -1.1925 -0.8288 -0.8288 4.3753 4.3753 5.2089 5.2089 5.9897 5.9897 6.6642 6.6642 6.7741 6.7741 7.0931 7.0931 7.3999 7.3999 7.4719 7.4719 7.7658 7.7658 8.1797 8.1797 8.7457 8.7457 8.8779 8.8779 11.5842 11.5842 11.6343 11.6343 11.9428 11.9428 12.0390 12.0390 k = 0.0000 0.3919-0.0000 ( 4546 PWs) bands (ev): -33.4825 -33.4825 -33.4823 -33.4823 -14.4786 -14.4786 -14.4753 -14.4753 -13.0684 -13.0684 -13.0628 -13.0628 -13.0220 -13.0220 -13.0177 -13.0177 -3.0554 -3.0554 -1.6234 -1.6234 -1.1618 -1.1618 -0.8348 -0.8348 4.3844 4.3844 5.1314 5.1314 6.0628 6.0628 6.7074 6.7074 6.8378 6.8378 7.1035 7.1035 7.3834 7.3834 7.4680 7.4680 7.7488 7.7488 8.0789 8.0789 8.6598 8.6598 8.7626 8.7626 11.6184 11.6184 11.6765 11.6765 12.0227 12.0227 12.0651 12.0651 k = 0.0000 0.4054-0.0000 ( 4546 PWs) bands (ev): -33.4824 -33.4824 -33.4822 -33.4822 -14.4788 -14.4788 -14.4758 -14.4758 -13.0690 -13.0690 -13.0642 -13.0642 -13.0217 -13.0217 -13.0179 -13.0179 -2.9801 -2.9801 -1.7241 -1.7241 -1.1316 -1.1316 -0.8424 -0.8424 4.3975 4.3975 5.0554 5.0554 6.1382 6.1382 6.7394 6.7394 6.9107 6.9107 7.1027 7.1027 7.3715 7.3715 7.4669 7.4669 7.7476 7.7476 7.9814 7.9814 8.5694 8.5694 8.6535 8.6535 11.6489 11.6489 11.7169 11.7169 12.0880 12.0880 12.1027 12.1027 k = 0.0000 0.4189-0.0000 ( 4536 PWs) bands (ev): -33.4823 -33.4823 -33.4822 -33.4822 -14.4789 -14.4789 -14.4764 -14.4764 -13.0695 -13.0695 -13.0654 -13.0654 -13.0214 -13.0214 -13.0180 -13.0180 -2.9027 -2.9027 -1.8239 -1.8239 -1.1021 -1.1021 -0.8517 -0.8517 4.4150 4.4150 4.9819 4.9819 6.2148 6.2148 6.7650 6.7650 6.9817 6.9817 7.0954 7.0954 7.3574 7.3574 7.4754 7.4754 7.7628 7.7628 7.8881 7.8881 8.4721 8.4721 8.5537 8.5537 11.6773 11.6773 11.7526 11.7526 12.1129 12.1129 12.1603 12.1603 k = 0.0000 0.4324-0.0000 ( 4542 PWs) bands (ev): -33.4823 -33.4823 -33.4822 -33.4822 -14.4789 -14.4789 -14.4769 -14.4769 -13.0699 -13.0699 -13.0665 -13.0665 -13.0210 -13.0210 -13.0182 -13.0182 -2.8231 -2.8231 -1.9227 -1.9227 -1.0734 -1.0734 -0.8629 -0.8629 4.4370 4.4370 4.9114 4.9114 6.2919 6.2919 6.7840 6.7840 7.0290 7.0290 7.1051 7.1051 7.3339 7.3339 7.5014 7.5014 7.7901 7.7901 7.8019 7.8019 8.3685 8.3685 8.4633 8.4633 11.7043 11.7043 11.7814 11.7814 12.1350 12.1350 12.1819 12.1819 k = 0.0000 0.4459-0.0000 ( 4546 PWs) bands (ev): -33.4822 -33.4822 -33.4822 -33.4822 -14.4790 -14.4790 -14.4773 -14.4773 -13.0702 -13.0702 -13.0675 -13.0675 -13.0207 -13.0207 -13.0184 -13.0184 -2.7414 -2.7414 -2.0201 -2.0201 -1.0457 -1.0457 -0.8761 -0.8761 4.4637 4.4637 4.8445 4.8445 6.3687 6.3687 6.7917 6.7917 7.0340 7.0340 7.1542 7.1542 7.3042 7.3042 7.5446 7.5446 7.7166 7.7166 7.8331 7.8331 8.2625 8.2625 8.3793 8.3793 11.7297 11.7297 11.8024 11.8024 12.1550 12.1550 12.1954 12.1954 k = 0.0000 0.4595-0.0000 ( 4538 PWs) bands (ev): -33.4822 -33.4822 -33.4821 -33.4821 -14.4789 -14.4789 -14.4777 -14.4777 -13.0703 -13.0703 -13.0683 -13.0683 -13.0204 -13.0204 -13.0186 -13.0186 -2.6577 -2.6577 -2.1162 -2.1162 -1.0191 -1.0191 -0.8912 -0.8912 4.4950 4.4950 4.7813 4.7813 6.4442 6.4442 6.7821 6.7821 7.0362 7.0362 7.1972 7.1972 7.2861 7.2861 7.5983 7.5983 7.6436 7.6436 7.8808 7.8808 8.1582 8.1582 8.2996 8.2996 11.7534 11.7534 11.8149 11.8149 12.1725 12.1725 12.2044 12.2044 k = 0.0000 0.4730-0.0000 ( 4540 PWs) bands (ev): -33.4822 -33.4822 -33.4821 -33.4821 -14.4789 -14.4789 -14.4780 -14.4780 -13.0703 -13.0703 -13.0690 -13.0690 -13.0200 -13.0200 -13.0189 -13.0189 -2.5720 -2.5720 -2.2108 -2.2108 -0.9938 -0.9938 -0.9082 -0.9082 4.5311 4.5311 4.7223 4.7223 6.5174 6.5174 6.7529 6.7529 7.0513 7.0513 7.1877 7.1877 7.3173 7.3173 7.5634 7.5634 7.6767 7.6767 7.9290 7.9290 8.0626 8.0626 8.2233 8.2233 11.7748 11.7748 11.8194 11.8194 12.1870 12.1870 12.2091 12.2091 k = 0.0000 0.4865-0.0000 ( 4540 PWs) bands (ev): -33.4821 -33.4821 -33.4821 -33.4821 -14.4787 -14.4787 -14.4783 -14.4783 -13.0702 -13.0702 -13.0695 -13.0695 -13.0197 -13.0197 -13.0191 -13.0191 -2.4844 -2.4844 -2.3037 -2.3037 -0.9700 -0.9700 -0.9270 -0.9270 4.5719 4.5719 4.6676 4.6676 6.5869 6.5869 6.7077 6.7077 7.0785 7.0785 7.1519 7.1519 7.3732 7.3732 7.4971 7.4971 7.7555 7.7555 7.9234 7.9234 8.0299 8.0299 8.1505 8.1505 11.7931 11.7931 11.8165 11.8165 12.1983 12.1983 12.2095 12.2095 k = 0.0000 0.5000-0.0000 ( 4528 PWs) bands (ev): -33.4821 -33.4821 -33.4821 -33.4821 -14.4786 -14.4786 -14.4786 -14.4786 -13.0700 -13.0700 -13.0700 -13.0700 -13.0194 -13.0194 -13.0194 -13.0194 -2.3950 -2.3950 -2.3950 -2.3950 -0.9476 -0.9476 -0.9476 -0.9476 4.6175 4.6175 4.6175 4.6175 6.6511 6.6511 6.6511 6.6511 7.1134 7.1134 7.1134 7.1134 7.4338 7.4338 7.4338 7.4338 7.8416 7.8416 7.8416 7.8416 8.0829 8.0829 8.0829 8.0829 11.8073 11.8073 11.8073 11.8073 12.2059 12.2059 12.2059 12.2059 k = 0.0000 0.5000-0.0000 ( 4528 PWs) bands (ev): -33.4821 -33.4821 -33.4821 -33.4821 -14.4786 -14.4786 -14.4786 -14.4786 -13.0700 -13.0700 -13.0700 -13.0700 -13.0194 -13.0194 -13.0194 -13.0194 -2.3950 -2.3950 -2.3950 -2.3950 -0.9476 -0.9476 -0.9476 -0.9476 4.6175 4.6175 4.6175 4.6175 6.6511 6.6511 6.6511 6.6511 7.1134 7.1134 7.1134 7.1134 7.4338 7.4338 7.4338 7.4338 7.8416 7.8416 7.8416 7.8416 8.0829 8.0829 8.0829 8.0829 11.8073 11.8073 11.8073 11.8073 12.2059 12.2059 12.2059 12.2059 k = 0.0135 0.5000-0.0000 ( 4536 PWs) bands (ev): -33.4821 -33.4821 -33.4821 -33.4821 -14.4786 -14.4786 -14.4785 -14.4785 -13.0699 -13.0699 -13.0699 -13.0699 -13.0196 -13.0196 -13.0194 -13.0194 -2.3943 -2.3943 -2.3939 -2.3939 -0.9476 -0.9476 -0.9476 -0.9476 4.6176 4.6176 4.6201 4.6201 6.6153 6.6153 6.6413 6.6413 7.0973 7.0973 7.1169 7.1169 7.4087 7.4087 7.4524 7.4524 7.8545 7.8545 7.8747 7.8747 8.0571 8.0571 8.1275 8.1275 11.8050 11.8050 11.8061 11.8061 12.2038 12.2038 12.2090 12.2090 k = 0.0270 0.5000-0.0000 ( 4544 PWs) bands (ev): -33.4821 -33.4821 -33.4821 -33.4821 -14.4787 -14.4787 -14.4786 -14.4786 -13.0699 -13.0699 -13.0698 -13.0698 -13.0199 -13.0199 -13.0195 -13.0195 -2.3918 -2.3918 -2.3911 -2.3911 -0.9475 -0.9475 -0.9474 -0.9474 4.6206 4.6206 4.6256 4.6256 6.5415 6.5415 6.5852 6.5852 7.0754 7.0754 7.1051 7.1051 7.3819 7.3819 7.4664 7.4664 7.9016 7.9016 7.9290 7.9290 8.0680 8.0680 8.1917 8.1917 11.7991 11.7991 11.8013 11.8013 12.2030 12.2030 12.2132 12.2132 k = 0.0405 0.5000-0.0000 ( 4540 PWs) bands (ev): -33.4821 -33.4821 -33.4821 -33.4821 -14.4788 -14.4788 -14.4786 -14.4786 -13.0698 -13.0698 -13.0697 -13.0697 -13.0203 -13.0203 -13.0198 -13.0198 -2.3876 -2.3876 -2.3865 -2.3865 -0.9472 -0.9472 -0.9470 -0.9470 4.6262 4.6262 4.6338 4.6338 6.4398 6.4398 6.4916 6.4916 7.0505 7.0505 7.0815 7.0815 7.3593 7.3593 7.4786 7.4786 7.9499 7.9499 7.9600 7.9600 8.1540 8.1540 8.2810 8.2810 11.7899 11.7899 11.7932 11.7932 12.2035 12.2035 12.2186 12.2186 k = 0.0541 0.5000-0.0000 ( 4536 PWs) bands (ev): -33.4821 -33.4821 -33.4821 -33.4821 -14.4789 -14.4789 -14.4787 -14.4787 -13.0696 -13.0696 -13.0696 -13.0696 -13.0209 -13.0209 -13.0203 -13.0203 -2.3816 -2.3816 -2.3802 -2.3802 -0.9469 -0.9469 -0.9466 -0.9466 4.6346 4.6346 4.6449 4.6449 6.3189 6.3189 6.3730 6.3730 7.0212 7.0212 7.0502 7.0502 7.3435 7.3435 7.4896 7.4896 7.9485 7.9485 8.0139 8.0139 8.2905 8.2905 8.3974 8.3974 11.7776 11.7776 11.7820 11.7820 12.2055 12.2055 12.2252 12.2252 k = 0.0676 0.5000-0.0000 ( 4528 PWs) bands (ev): -33.4820 -33.4820 -33.4820 -33.4820 -14.4791 -14.4791 -14.4788 -14.4788 -13.0695 -13.0695 -13.0694 -13.0694 -13.0216 -13.0216 -13.0208 -13.0208 -2.3739 -2.3739 -2.3722 -2.3722 -0.9465 -0.9465 -0.9461 -0.9461 4.6454 4.6454 4.6587 4.6587 6.1858 6.1858 6.2396 6.2396 6.9860 6.9860 7.0137 7.0137 7.3347 7.3347 7.4988 7.4988 7.9449 7.9449 8.0584 8.0584 8.4486 8.4486 8.5368 8.5368 11.7625 11.7625 11.7680 11.7680 12.2092 12.2092 12.2333 12.2333 k = 0.0811 0.5000-0.0000 ( 4524 PWs) bands (ev): -33.4820 -33.4820 -33.4820 -33.4820 -14.4793 -14.4793 -14.4790 -14.4790 -13.0692 -13.0692 -13.0691 -13.0691 -13.0224 -13.0224 -13.0215 -13.0215 -2.3645 -2.3645 -2.3624 -2.3624 -0.9459 -0.9459 -0.9455 -0.9455 4.6587 4.6587 4.6753 4.6753 6.0452 6.0452 6.0980 6.0980 6.9450 6.9450 6.9731 6.9731 7.3318 7.3318 7.5062 7.5062 7.9431 7.9431 8.0944 8.0944 8.6184 8.6184 8.6926 8.6926 11.7451 11.7451 11.7516 11.7516 12.2149 12.2149 12.2430 12.2430 k = 0.0946 0.5000-0.0000 ( 4534 PWs) bands (ev): -33.4819 -33.4819 -33.4819 -33.4819 -14.4796 -14.4796 -14.4792 -14.4792 -13.0690 -13.0690 -13.0688 -13.0688 -13.0234 -13.0234 -13.0224 -13.0224 -2.3535 -2.3535 -2.3511 -2.3511 -0.9453 -0.9453 -0.9449 -0.9449 4.6742 4.6742 4.6944 4.6944 5.9005 5.9005 5.9525 5.9525 6.8992 6.8992 6.9291 6.9291 7.3332 7.3332 7.5121 7.5121 7.9432 7.9432 8.1233 8.1233 8.7954 8.7954 8.8595 8.8595 11.7259 11.7259 11.7334 11.7334 12.2229 12.2229 12.2547 12.2547 k = 0.1081 0.5000-0.0000 ( 4534 PWs) bands (ev): -33.4819 -33.4819 -33.4819 -33.4819 -14.4798 -14.4798 -14.4794 -14.4794 -13.0687 -13.0687 -13.0685 -13.0685 -13.0245 -13.0245 -13.0233 -13.0233 -2.3408 -2.3408 -2.3381 -2.3381 -0.9447 -0.9447 -0.9442 -0.9442 4.6916 4.6916 4.7161 4.7161 5.7539 5.7539 5.8059 5.8059 6.8498 6.8498 6.8820 6.8820 7.3378 7.3378 7.5171 7.5171 7.9444 7.9444 8.1462 8.1462 8.9773 8.9773 9.0340 9.0340 11.7055 11.7055 11.7139 11.7139 12.2333 12.2333 12.2684 12.2684 k = 0.1216 0.5000-0.0000 ( 4536 PWs) bands (ev): -33.4818 -33.4818 -33.4818 -33.4818 -14.4801 -14.4801 -14.4796 -14.4796 -13.0684 -13.0684 -13.0682 -13.0682 -13.0256 -13.0256 -13.0243 -13.0243 -2.3265 -2.3265 -2.3236 -2.3236 -0.9440 -0.9440 -0.9434 -0.9434 4.7104 4.7104 4.7401 4.7401 5.6072 5.6072 5.6602 5.6602 6.7978 6.7978 6.8322 6.8322 7.3446 7.3446 7.5216 7.5216 7.9457 7.9457 8.1635 8.1635 9.1625 9.1625 9.2136 9.2136 11.6845 11.6845 11.6935 11.6935 12.2464 12.2464 12.2845 12.2845 k = 0.1351 0.5000-0.0000 ( 4536 PWs) bands (ev): -33.4817 -33.4817 -33.4817 -33.4817 -14.4804 -14.4804 -14.4799 -14.4799 -13.0680 -13.0680 -13.0678 -13.0678 -13.0269 -13.0269 -13.0255 -13.0255 -2.3107 -2.3107 -2.3075 -2.3075 -0.9433 -0.9433 -0.9426 -0.9426 4.7298 4.7298 4.7661 4.7661 5.4616 5.4616 5.5173 5.5173 6.7443 6.7443 6.7804 6.7804 7.3529 7.3529 7.5260 7.5260 7.9460 7.9460 8.1755 8.1755 9.3498 9.3498 9.3967 9.3967 11.6634 11.6634 11.6728 11.6728 12.2624 12.2624 12.3030 12.3030 k = 0.1486 0.5000-0.0000 ( 4540 PWs) bands (ev): -33.4817 -33.4817 -33.4817 -33.4817 -14.4808 -14.4808 -14.4802 -14.4802 -13.0677 -13.0677 -13.0674 -13.0674 -13.0282 -13.0282 -13.0267 -13.0267 -2.2935 -2.2935 -2.2900 -2.2900 -0.9426 -0.9426 -0.9419 -0.9419 4.7482 4.7482 4.7934 4.7934 5.3187 5.3187 5.3795 5.3795 6.6899 6.6899 6.7270 6.7270 7.3622 7.3622 7.5306 7.5306 7.9447 7.9447 8.1823 8.1823 9.5385 9.5385 9.5819 9.5819 11.6429 11.6429 11.6523 11.6523 12.2814 12.2814 12.3242 12.3242 k = 0.1622 0.5000-0.0000 ( 4536 PWs) bands (ev): -33.4816 -33.4816 -33.4816 -33.4816 -14.4811 -14.4811 -14.4805 -14.4805 -13.0673 -13.0673 -13.0670 -13.0670 -13.0297 -13.0297 -13.0280 -13.0280 -2.2748 -2.2748 -2.2711 -2.2711 -0.9419 -0.9419 -0.9411 -0.9411 4.7621 4.7621 4.8203 4.8203 5.1806 5.1806 5.2506 5.2506 6.6352 6.6352 6.6724 6.6724 7.3721 7.3721 7.5354 7.5354 7.9414 7.9414 8.1839 8.1839 9.7276 9.7276 9.7683 9.7683 11.6235 11.6235 11.6327 11.6327 12.3035 12.3035 12.3482 12.3482 k = 0.1757 0.5000-0.0000 ( 4544 PWs) bands (ev): -33.4815 -33.4815 -33.4815 -33.4815 -14.4815 -14.4815 -14.4809 -14.4809 -13.0669 -13.0669 -13.0666 -13.0666 -13.0311 -13.0311 -13.0294 -13.0294 -2.2549 -2.2549 -2.2509 -2.2509 -0.9413 -0.9413 -0.9404 -0.9404 4.7637 4.7637 4.8396 4.8396 5.0548 5.0548 5.1389 5.1389 6.5808 6.5808 6.6172 6.6172 7.3822 7.3822 7.5403 7.5403 7.9356 7.9356 8.1806 8.1806 9.9164 9.9164 9.9549 9.9549 11.6058 11.6058 11.6144 11.6144 12.3288 12.3288 12.3749 12.3749 k = 0.1892 0.5000-0.0000 ( 4548 PWs) bands (ev): -33.4814 -33.4814 -33.4814 -33.4814 -14.4819 -14.4819 -14.4812 -14.4812 -13.0665 -13.0665 -13.0662 -13.0662 -13.0326 -13.0326 -13.0308 -13.0308 -2.2336 -2.2336 -2.2295 -2.2295 -0.9407 -0.9407 -0.9398 -0.9398 4.7372 4.7372 4.8175 4.8175 4.9756 4.9756 5.0604 5.0604 6.5270 6.5270 6.5618 6.5618 7.3922 7.3922 7.5451 7.5451 7.9273 7.9273 8.1726 8.1726 10.1042 10.1042 10.1409 10.1409 11.5903 11.5903 11.5979 11.5979 12.3572 12.3572 12.4044 12.4044 k = 0.2027 0.5000-0.0000 ( 4552 PWs) bands (ev): -33.4813 -33.4813 -33.4813 -33.4813 -14.4823 -14.4823 -14.4816 -14.4816 -13.0662 -13.0662 -13.0658 -13.0658 -13.0342 -13.0342 -13.0322 -13.0322 -2.2113 -2.2113 -2.2070 -2.2070 -0.9402 -0.9402 -0.9393 -0.9393 4.6696 4.6696 4.7211 4.7211 4.9761 4.9761 5.0282 5.0282 6.4743 6.4743 6.5067 6.5067 7.4019 7.4019 7.5494 7.5494 7.9166 7.9166 8.1602 8.1602 10.2902 10.2902 10.3252 10.3252 11.5774 11.5774 11.5839 11.5839 12.3887 12.3887 12.4367 12.4367 k = 0.2162 0.5000-0.0000 ( 4564 PWs) bands (ev): -33.4813 -33.4813 -33.4813 -33.4813 -14.4827 -14.4827 -14.4820 -14.4820 -13.0658 -13.0658 -13.0654 -13.0654 -13.0357 -13.0357 -13.0337 -13.0337 -2.1879 -2.1879 -2.1835 -2.1835 -0.9399 -0.9399 -0.9389 -0.9389 4.5720 4.5720 4.6005 4.6005 5.0063 5.0063 5.0316 5.0316 6.4230 6.4230 6.4522 6.4522 7.4109 7.4109 7.5528 7.5528 7.9040 7.9040 8.1438 8.1438 10.4735 10.4735 10.5071 10.5071 11.5678 11.5678 11.5727 11.5727 12.4232 12.4232 12.4717 12.4717 k = 0.2297 0.5000-0.0000 ( 4572 PWs) bands (ev): -33.4812 -33.4812 -33.4812 -33.4812 -14.4831 -14.4831 -14.4824 -14.4824 -13.0655 -13.0655 -13.0650 -13.0650 -13.0372 -13.0372 -13.0352 -13.0352 -2.1636 -2.1636 -2.1591 -2.1591 -0.9396 -0.9396 -0.9386 -0.9386 4.4616 4.4616 4.4772 4.4772 5.0447 5.0447 5.0531 5.0531 6.3733 6.3733 6.3988 6.3988 7.4188 7.4188 7.5545 7.5545 7.8898 7.8898 8.1238 8.1238 10.6531 10.6531 10.6853 10.6853 11.5619 11.5619 11.5650 11.5650 12.4604 12.4604 12.5092 12.5092 k = 0.2432 0.5000-0.0000 ( 4566 PWs) bands (ev): -33.4811 -33.4811 -33.4811 -33.4811 -14.4836 -14.4836 -14.4828 -14.4828 -13.0652 -13.0652 -13.0647 -13.0647 -13.0387 -13.0387 -13.0366 -13.0366 -2.1385 -2.1385 -2.1339 -2.1339 -0.9396 -0.9396 -0.9385 -0.9385 4.3477 4.3477 4.3560 4.3560 5.0836 5.0836 5.0868 5.0868 6.3258 6.3258 6.3467 6.3467 7.4252 7.4252 7.5538 7.5538 7.8750 7.8750 8.1010 8.1010 10.8277 10.8277 10.8586 10.8586 11.5606 11.5606 11.5615 11.5615 12.5001 12.5001 12.5489 12.5489 k = 0.2568 0.5000-0.0000 ( 4558 PWs) bands (ev): -33.4810 -33.4810 -33.4810 -33.4810 -14.4840 -14.4840 -14.4833 -14.4833 -13.0650 -13.0650 -13.0644 -13.0644 -13.0401 -13.0401 -13.0380 -13.0380 -2.1127 -2.1127 -2.1081 -2.1081 -0.9397 -0.9397 -0.9386 -0.9386 4.2344 4.2344 4.2381 4.2381 5.1189 5.1189 5.1311 5.1311 6.2805 6.2805 6.2963 6.2963 7.4296 7.4296 7.5498 7.5498 7.8605 7.8605 8.0759 8.0759 10.9954 10.9954 11.0248 11.0248 11.5634 11.5634 11.5649 11.5649 12.5419 12.5419 12.5906 12.5906 k = 0.2703 0.5000-0.0000 ( 4564 PWs) bands (ev): -33.4809 -33.4809 -33.4809 -33.4809 -14.4844 -14.4844 -14.4837 -14.4837 -13.0648 -13.0648 -13.0642 -13.0642 -13.0414 -13.0414 -13.0393 -13.0393 -2.0865 -2.0865 -2.0818 -2.0818 -0.9401 -0.9401 -0.9390 -0.9390 4.1236 4.1236 4.1244 4.1244 5.1572 5.1572 5.1770 5.1770 6.2379 6.2379 6.2479 6.2479 7.4315 7.4315 7.5415 7.5415 7.8474 7.8474 8.0495 8.0495 11.1534 11.1534 11.1810 11.1810 11.5728 11.5728 11.5772 11.5772 12.5852 12.5852 12.6340 12.6340 k = 0.2838 0.5000-0.0000 ( 4560 PWs) bands (ev): -33.4808 -33.4808 -33.4808 -33.4808 -14.4848 -14.4848 -14.4841 -14.4841 -13.0646 -13.0646 -13.0640 -13.0640 -13.0427 -13.0427 -13.0405 -13.0405 -2.0599 -2.0599 -2.0553 -2.0553 -0.9407 -0.9407 -0.9395 -0.9395 4.0152 4.0152 4.0163 4.0163 5.1971 5.1971 5.2240 5.2240 6.1983 6.1983 6.2020 6.2020 7.4302 7.4302 7.5279 7.5279 7.8366 7.8366 8.0226 8.0226 11.2958 11.2958 11.3208 11.3208 11.5946 11.5946 11.6026 11.6026 12.6293 12.6293 12.6783 12.6783 k = 0.2973 0.5000-0.0000 ( 4564 PWs) bands (ev): -33.4807 -33.4807 -33.4807 -33.4807 -14.4852 -14.4852 -14.4846 -14.4846 -13.0646 -13.0646 -13.0640 -13.0640 -13.0438 -13.0438 -13.0417 -13.0417 -2.0331 -2.0331 -2.0285 -2.0285 -0.9415 -0.9415 -0.9403 -0.9403 3.9109 3.9109 3.9133 3.9133 5.2378 5.2378 5.2715 5.2715 6.1588 6.1588 6.1621 6.1621 7.4252 7.4252 7.5087 7.5087 7.8288 7.8288 7.9963 7.9963 11.4105 11.4105 11.4315 11.4315 11.6399 11.6399 11.6529 11.6529 12.6727 12.6727 12.7225 12.7225 k = 0.3108 0.5000-0.0000 ( 4564 PWs) bands (ev): -33.4806 -33.4806 -33.4806 -33.4806 -14.4856 -14.4856 -14.4850 -14.4850 -13.0646 -13.0646 -13.0640 -13.0640 -13.0448 -13.0448 -13.0427 -13.0427 -2.0063 -2.0063 -2.0019 -2.0019 -0.9425 -0.9425 -0.9414 -0.9414 3.8118 3.8118 3.8151 3.8151 5.2787 5.2787 5.3191 5.3191 6.1187 6.1187 6.1295 6.1295 7.4157 7.4157 7.4839 7.4839 7.8243 7.8243 7.9715 7.9715 11.4851 11.4851 11.5025 11.5025 11.7201 11.7201 11.7374 11.7374 12.7130 12.7130 12.7639 12.7639 k = 0.3243 0.5000-0.0000 ( 4566 PWs) bands (ev): -33.4805 -33.4805 -33.4805 -33.4805 -14.4860 -14.4860 -14.4854 -14.4854 -13.0648 -13.0648 -13.0642 -13.0642 -13.0456 -13.0456 -13.0436 -13.0436 -1.9798 -1.9798 -1.9755 -1.9755 -0.9438 -0.9438 -0.9427 -0.9427 3.7182 3.7182 3.7220 3.7220 5.3189 5.3189 5.3659 5.3659 6.0824 6.0824 6.1011 6.1011 7.4014 7.4014 7.4541 7.4541 7.8226 7.8226 7.9490 7.9490 11.5302 11.5302 11.5470 11.5470 11.8234 11.8234 11.8419 11.8419 12.7452 12.7452 12.7947 12.7947 k = 0.3378 0.5000-0.0000 ( 4578 PWs) bands (ev): -33.4805 -33.4805 -33.4805 -33.4805 -14.4864 -14.4864 -14.4858 -14.4858 -13.0650 -13.0650 -13.0644 -13.0644 -13.0463 -13.0463 -13.0444 -13.0444 -1.9537 -1.9537 -1.9496 -1.9496 -0.9454 -0.9454 -0.9442 -0.9442 3.6302 3.6302 3.6344 3.6344 5.3577 5.3577 5.4114 5.4114 6.0503 6.0503 6.0772 6.0772 7.3819 7.3819 7.4199 7.4199 7.8234 7.8234 7.9295 7.9295 11.5643 11.5643 11.5822 11.5822 11.9304 11.9304 11.9481 11.9481 12.7638 12.7638 12.8069 12.8069 k = 0.3514 0.5000-0.0000 ( 4580 PWs) bands (ev): -33.4804 -33.4804 -33.4804 -33.4804 -14.4867 -14.4867 -14.4862 -14.4862 -13.0653 -13.0653 -13.0648 -13.0648 -13.0469 -13.0469 -13.0451 -13.0451 -1.9284 -1.9284 -1.9244 -1.9244 -0.9471 -0.9471 -0.9460 -0.9460 3.5483 3.5483 3.5526 3.5526 5.3944 5.3944 5.4545 5.4545 6.0232 6.0232 6.0583 6.0583 7.3574 7.3574 7.3826 7.3826 7.8260 7.8260 7.9134 7.9134 11.5963 11.5963 11.6158 11.6158 12.0314 12.0314 12.0477 12.0477 12.7673 12.7673 12.8052 12.8052 k = 0.3649 0.5000-0.0000 ( 4588 PWs) bands (ev): -33.4803 -33.4803 -33.4803 -33.4803 -14.4871 -14.4871 -14.4865 -14.4865 -13.0656 -13.0656 -13.0652 -13.0652 -13.0473 -13.0473 -13.0457 -13.0457 -1.9039 -1.9039 -1.9002 -1.9002 -0.9490 -0.9490 -0.9480 -0.9480 3.4725 3.4725 3.4768 3.4768 5.4283 5.4283 5.4939 5.4939 6.0022 6.0022 6.0447 6.0447 7.3284 7.3284 7.3430 7.3430 7.8298 7.8298 7.9006 7.9006 11.6294 11.6294 11.6507 11.6507 12.1228 12.1228 12.1374 12.1374 12.7581 12.7581 12.7933 12.7933 k = 0.3784 0.5000-0.0000 ( 4580 PWs) bands (ev): -33.4802 -33.4802 -33.4802 -33.4802 -14.4874 -14.4874 -14.4869 -14.4869 -13.0660 -13.0660 -13.0657 -13.0657 -13.0475 -13.0475 -13.0461 -13.0461 -1.8806 -1.8806 -1.8771 -1.8771 -0.9511 -0.9511 -0.9501 -0.9501 3.4031 3.4031 3.4073 3.4073 5.4587 5.4587 5.5282 5.5282 5.9881 5.9881 6.0368 6.0368 7.2957 7.2957 7.3021 7.3021 7.8343 7.8343 7.8910 7.8910 11.6648 11.6648 11.6877 11.6877 12.2032 12.2032 12.2160 12.2160 12.7382 12.7382 12.7722 12.7722 k = 0.3919 0.5000-0.0000 ( 4580 PWs) bands (ev): -33.4802 -33.4802 -33.4802 -33.4802 -14.4876 -14.4876 -14.4872 -14.4872 -13.0664 -13.0664 -13.0662 -13.0662 -13.0477 -13.0477 -13.0465 -13.0465 -1.8588 -1.8588 -1.8556 -1.8556 -0.9532 -0.9532 -0.9523 -0.9523 3.3404 3.3404 3.3444 3.3444 5.4850 5.4850 5.5562 5.5562 5.9818 5.9818 6.0344 6.0344 7.2604 7.2604 7.2609 7.2609 7.8392 7.8392 7.8841 7.8841 11.7030 11.7030 11.7273 11.7273 12.2724 12.2724 12.2834 12.2834 12.7092 12.7092 12.7426 12.7426 k = 0.4054 0.5000-0.0000 ( 4580 PWs) bands (ev): -33.4801 -33.4801 -33.4801 -33.4801 -14.4879 -14.4879 -14.4875 -14.4875 -13.0669 -13.0669 -13.0667 -13.0667 -13.0478 -13.0478 -13.0467 -13.0467 -1.8386 -1.8386 -1.8358 -1.8358 -0.9554 -0.9554 -0.9545 -0.9545 3.2846 3.2846 3.2882 3.2882 5.5071 5.5071 5.5767 5.5767 5.9838 5.9838 6.0372 6.0372 7.2205 7.2205 7.2238 7.2238 7.8441 7.8441 7.8792 7.8792 11.7437 11.7437 11.7691 11.7691 12.3307 12.3307 12.3402 12.3402 12.6726 12.6726 12.7055 12.7055 k = 0.4189 0.5000-0.0000 ( 4572 PWs) bands (ev): -33.4801 -33.4801 -33.4801 -33.4801 -14.4881 -14.4881 -14.4877 -14.4877 -13.0673 -13.0673 -13.0671 -13.0671 -13.0479 -13.0479 -13.0469 -13.0469 -1.8205 -1.8205 -1.8180 -1.8180 -0.9575 -0.9575 -0.9567 -0.9567 3.2358 3.2358 3.2391 3.2391 5.5251 5.5251 5.5899 5.5899 5.9933 5.9933 6.0442 6.0442 7.1818 7.1818 7.1873 7.1873 7.8489 7.8489 7.8760 7.8760 11.7868 11.7868 11.8128 11.8128 12.3788 12.3788 12.3871 12.3871 12.6301 12.6301 12.6625 12.6625 k = 0.4324 0.5000-0.0000 ( 4572 PWs) bands (ev): -33.4800 -33.4800 -33.4800 -33.4800 -14.4883 -14.4883 -14.4880 -14.4880 -13.0677 -13.0677 -13.0676 -13.0676 -13.0479 -13.0479 -13.0471 -13.0471 -1.8046 -1.8046 -1.8025 -1.8025 -0.9594 -0.9594 -0.9588 -0.9588 3.1943 3.1943 3.1971 3.1971 5.5395 5.5395 5.5965 5.5965 6.0085 6.0085 6.0541 6.0541 7.1461 7.1461 7.1524 7.1524 7.8533 7.8533 7.8739 7.8739 11.8314 11.8314 11.8573 11.8573 12.4174 12.4174 12.4249 12.4249 12.5840 12.5840 12.6157 12.6157 k = 0.4459 0.5000-0.0000 ( 4572 PWs) bands (ev): -33.4800 -33.4800 -33.4800 -33.4800 -14.4884 -14.4884 -14.4882 -14.4882 -13.0680 -13.0680 -13.0679 -13.0679 -13.0478 -13.0478 -13.0472 -13.0472 -1.7911 -1.7911 -1.7894 -1.7894 -0.9612 -0.9612 -0.9606 -0.9606 3.1601 3.1601 3.1624 3.1624 5.5510 5.5510 5.5981 5.5981 6.0270 6.0270 6.0651 6.0651 7.1145 7.1145 7.1206 7.1206 7.8573 7.8573 7.8725 7.8725 11.8763 11.8763 11.9012 11.9012 12.4470 12.4470 12.4544 12.4544 12.5372 12.5372 12.5680 12.5680 k = 0.4595 0.5000-0.0000 ( 4580 PWs) bands (ev): -33.4800 -33.4800 -33.4800 -33.4800 -14.4885 -14.4885 -14.4883 -14.4883 -13.0683 -13.0683 -13.0683 -13.0683 -13.0478 -13.0478 -13.0473 -13.0473 -1.7804 -1.7804 -1.7791 -1.7791 -0.9626 -0.9626 -0.9622 -0.9622 3.1335 3.1335 3.1352 3.1352 5.5603 5.5603 5.5962 5.5962 6.0459 6.0459 6.0752 6.0752 7.0883 7.0883 7.0934 7.0934 7.8607 7.8607 7.8714 7.8714 11.9197 11.9197 11.9421 11.9421 12.4663 12.4663 12.4746 12.4746 12.4947 12.4947 12.5242 12.5242 k = 0.4730 0.5000-0.0000 ( 4584 PWs) bands (ev): -33.4800 -33.4800 -33.4800 -33.4800 -14.4886 -14.4886 -14.4885 -14.4885 -13.0685 -13.0685 -13.0685 -13.0685 -13.0477 -13.0477 -13.0474 -13.0474 -1.7725 -1.7725 -1.7716 -1.7716 -0.9637 -0.9637 -0.9634 -0.9634 3.1144 3.1144 3.1156 3.1156 5.5681 5.5681 5.5923 5.5923 6.0628 6.0628 6.0826 6.0826 7.0688 7.0688 7.0724 7.0724 7.8636 7.8636 7.8704 7.8704 11.9584 11.9584 11.9761 11.9761 12.4535 12.4535 12.4625 12.4625 12.4939 12.4939 12.5018 12.5018 k = 0.4865 0.5000-0.0000 ( 4588 PWs) bands (ev): -33.4799 -33.4799 -33.4799 -33.4799 -14.4886 -14.4886 -14.4885 -14.4885 -13.0686 -13.0686 -13.0686 -13.0686 -13.0476 -13.0476 -13.0475 -13.0475 -1.7676 -1.7676 -1.7672 -1.7672 -0.9643 -0.9643 -0.9642 -0.9642 3.1031 3.1031 3.1037 3.1037 5.5750 5.5750 5.5872 5.5872 6.0758 6.0758 6.0858 6.0858 7.0569 7.0569 7.0588 7.0588 7.8660 7.8660 7.8693 7.8693 11.9878 11.9878 11.9979 11.9979 12.4299 12.4299 12.4380 12.4380 12.5026 12.5026 12.5041 12.5041 k = 0.5000 0.5000-0.0000 ( 4592 PWs) bands (ev): -33.4800 -33.4800 -33.4800 -33.4800 -14.4886 -14.4886 -14.4886 -14.4886 -13.0687 -13.0687 -13.0687 -13.0687 -13.0476 -13.0476 -13.0476 -13.0476 -1.7658 -1.7658 -1.7658 -1.7658 -0.9645 -0.9645 -0.9645 -0.9645 3.0995 3.0995 3.0995 3.0995 5.5813 5.5813 5.5813 5.5813 6.0837 6.0837 6.0837 6.0837 7.0536 7.0536 7.0536 7.0536 7.8679 7.8679 7.8679 7.8679 12.0022 12.0022 12.0022 12.0022 12.4243 12.4243 12.4243 12.4243 12.5058 12.5058 12.5058 12.5058 k = 0.5000 0.5000-0.0000 ( 4592 PWs) bands (ev): -33.4800 -33.4800 -33.4800 -33.4800 -14.4886 -14.4886 -14.4886 -14.4886 -13.0687 -13.0687 -13.0687 -13.0687 -13.0476 -13.0476 -13.0476 -13.0476 -1.7658 -1.7658 -1.7658 -1.7658 -0.9645 -0.9645 -0.9645 -0.9645 3.0995 3.0995 3.0995 3.0995 5.5813 5.5813 5.5813 5.5813 6.0837 6.0837 6.0837 6.0837 7.0536 7.0536 7.0536 7.0536 7.8679 7.8679 7.8679 7.8679 12.0022 12.0022 12.0022 12.0022 12.4243 12.4243 12.4243 12.4243 12.5058 12.5058 12.5058 12.5058 k = 0.4904 0.4904-0.0000 ( 4584 PWs) bands (ev): -33.4799 -33.4799 -33.4799 -33.4799 -14.4886 -14.4886 -14.4885 -14.4885 -13.0686 -13.0686 -13.0686 -13.0686 -13.0476 -13.0476 -13.0475 -13.0475 -1.7704 -1.7704 -1.7644 -1.7644 -0.9644 -0.9644 -0.9640 -0.9640 3.1006 3.1006 3.1064 3.1064 5.5749 5.5749 5.5873 5.5873 6.0746 6.0746 6.0870 6.0870 7.0561 7.0561 7.0598 7.0598 7.8656 7.8656 7.8697 7.8697 11.9834 11.9834 12.0023 12.0023 12.4267 12.4267 12.4412 12.4412 12.5010 12.5010 12.5055 12.5055 k = 0.4808 0.4808-0.0000 ( 4580 PWs) bands (ev): -33.4799 -33.4799 -33.4799 -33.4799 -14.4886 -14.4886 -14.4884 -14.4884 -13.0685 -13.0685 -13.0685 -13.0685 -13.0477 -13.0477 -13.0474 -13.0474 -1.7838 -1.7838 -1.7603 -1.7603 -0.9644 -0.9644 -0.9627 -0.9627 3.1036 3.1036 3.1268 3.1268 5.5677 5.5677 5.5931 5.5931 6.0550 6.0550 6.0898 6.0898 7.0644 7.0644 7.0771 7.0771 7.8612 7.8612 7.8729 7.8729 11.9382 11.9382 11.9980 11.9980 12.4381 12.4381 12.4748 12.4748 12.4918 12.4918 12.5050 12.5050 k = 0.4712 0.4712-0.0000 ( 4576 PWs) bands (ev): -33.4800 -33.4800 -33.4799 -33.4799 -14.4885 -14.4885 -14.4883 -14.4883 -13.0683 -13.0683 -13.0682 -13.0682 -13.0478 -13.0478 -13.0473 -13.0473 -1.8059 -1.8059 -1.7535 -1.7535 -0.9644 -0.9644 -0.9606 -0.9606 3.1088 3.1088 3.1605 3.1605 5.5596 5.5596 5.5993 5.5993 6.0247 6.0247 6.0939 6.0939 7.0778 7.0778 7.1046 7.1046 7.8543 7.8543 7.8780 7.8780 11.8774 11.8774 11.9907 11.9907 12.4558 12.4558 12.4569 12.4569 12.5007 12.5007 12.5384 12.5384 k = 0.4615 0.4615-0.0000 ( 4560 PWs) bands (ev): -33.4800 -33.4800 -33.4799 -33.4799 -14.4884 -14.4884 -14.4881 -14.4881 -13.0680 -13.0680 -13.0679 -13.0679 -13.0479 -13.0479 -13.0472 -13.0472 -1.8360 -1.8360 -1.7439 -1.7439 -0.9648 -0.9648 -0.9576 -0.9576 3.1160 3.1160 3.2072 3.2072 5.5507 5.5507 5.6058 5.6058 5.9853 5.9853 6.0994 6.0994 7.0957 7.0957 7.1403 7.1403 7.8450 7.8450 7.8851 7.8851 11.8099 11.8099 11.9807 11.9807 12.4181 12.4181 12.4768 12.4768 12.5004 12.5004 12.5942 12.5942 k = 0.4519 0.4519-0.0000 ( 4568 PWs) bands (ev): -33.4800 -33.4800 -33.4800 -33.4800 -14.4883 -14.4883 -14.4879 -14.4879 -13.0676 -13.0676 -13.0675 -13.0675 -13.0480 -13.0480 -13.0470 -13.0470 -1.8736 -1.8736 -1.7316 -1.7316 -0.9657 -0.9657 -0.9538 -0.9538 3.1252 3.1252 3.2665 3.2665 5.5414 5.5414 5.6128 5.6128 5.9392 5.9392 6.1064 6.1064 7.1171 7.1171 7.1825 7.1825 7.8337 7.8337 7.8942 7.8942 11.7411 11.7411 11.9680 11.9680 12.3651 12.3651 12.4845 12.4845 12.5153 12.5153 12.6487 12.6487 k = 0.4423 0.4423-0.0000 ( 4572 PWs) bands (ev): -33.4801 -33.4801 -33.4800 -33.4800 -14.4881 -14.4881 -14.4877 -14.4877 -13.0671 -13.0671 -13.0670 -13.0670 -13.0481 -13.0481 -13.0469 -13.0469 -1.9177 -1.9177 -1.7166 -1.7166 -0.9675 -0.9675 -0.9493 -0.9493 3.1365 3.1365 3.3377 3.3377 5.5320 5.5320 5.6195 5.6195 5.8886 5.8886 6.1150 6.1150 7.1411 7.1411 7.2294 7.2294 7.8209 7.8209 7.9055 7.9055 11.6740 11.6740 11.9528 11.9528 12.2964 12.2964 12.4794 12.4794 12.5430 12.5430 12.6983 12.6983 k = 0.4327 0.4327-0.0000 ( 4586 PWs) bands (ev): -33.4802 -33.4802 -33.4801 -33.4801 -14.4879 -14.4879 -14.4874 -14.4874 -13.0665 -13.0665 -13.0664 -13.0664 -13.0483 -13.0483 -13.0467 -13.0467 -1.9678 -1.9678 -1.6988 -1.6988 -0.9702 -0.9702 -0.9442 -0.9442 3.1498 3.1498 3.4203 3.4203 5.5233 5.5233 5.6247 5.6247 5.8367 5.8367 6.1252 6.1252 7.1666 7.1666 7.2796 7.2796 7.8071 7.8071 7.9189 7.9189 11.6110 11.6110 11.9348 11.9348 12.2111 12.2111 12.4708 12.4708 12.5715 12.5715 12.7409 12.7409 k = 0.4231 0.4231-0.0000 ( 4576 PWs) bands (ev): -33.4802 -33.4802 -33.4802 -33.4802 -14.4877 -14.4877 -14.4870 -14.4870 -13.0659 -13.0659 -13.0657 -13.0657 -13.0485 -13.0485 -13.0465 -13.0465 -2.0230 -2.0230 -1.6783 -1.6783 -0.9742 -0.9742 -0.9385 -0.9385 3.1651 3.1651 3.5134 3.5134 5.5158 5.5158 5.6242 5.6242 5.7887 5.7887 6.1370 6.1370 7.1925 7.1925 7.3315 7.3315 7.7930 7.7930 7.9346 7.9346 11.5537 11.5537 11.9130 11.9130 12.1098 12.1098 12.4600 12.4600 12.5970 12.5970 12.7755 12.7755 k = 0.4135 0.4135-0.0000 ( 4572 PWs) bands (ev): -33.4803 -33.4803 -33.4802 -33.4802 -14.4875 -14.4875 -14.4866 -14.4866 -13.0652 -13.0652 -13.0649 -13.0649 -13.0486 -13.0486 -13.0462 -13.0462 -2.0826 -2.0826 -1.6552 -1.6552 -0.9796 -0.9796 -0.9323 -0.9323 3.1825 3.1825 3.6165 3.6165 5.5102 5.5102 5.6096 5.6096 5.7544 5.7544 6.1503 6.1503 7.2176 7.2176 7.3840 7.3840 7.7797 7.7797 7.9525 7.9525 11.5035 11.5035 11.8817 11.8817 11.9984 11.9984 12.4468 12.4468 12.6171 12.6171 12.8015 12.8015 k = 0.4038 0.4038-0.0000 ( 4558 PWs) bands (ev): -33.4803 -33.4803 -33.4803 -33.4803 -14.4872 -14.4872 -14.4862 -14.4862 -13.0644 -13.0644 -13.0641 -13.0641 -13.0488 -13.0488 -13.0460 -13.0460 -2.1459 -2.1459 -1.6293 -1.6293 -0.9864 -0.9864 -0.9256 -0.9256 3.2019 3.2019 3.7287 3.7287 5.5070 5.5070 5.5734 5.5734 5.7421 5.7421 6.1653 6.1653 7.2409 7.2409 7.4352 7.4352 7.7684 7.7684 7.9728 7.9728 11.4613 11.4613 11.8064 11.8064 11.9124 11.9124 12.4312 12.4312 12.6302 12.6302 12.8188 12.8188 k = 0.3942 0.3942-0.0000 ( 4546 PWs) bands (ev): -33.4804 -33.4804 -33.4803 -33.4803 -14.4869 -14.4869 -14.4857 -14.4857 -13.0635 -13.0635 -13.0631 -13.0631 -13.0490 -13.0490 -13.0457 -13.0457 -2.2122 -2.2122 -1.6008 -1.6008 -0.9947 -0.9947 -0.9187 -0.9187 3.2234 3.2234 3.8493 3.8493 5.5068 5.5068 5.5217 5.5217 5.7469 5.7469 6.1818 6.1818 7.2615 7.2615 7.4831 7.4831 7.7612 7.7612 7.9957 7.9957 11.4279 11.4279 11.6675 11.6675 11.8732 11.8732 12.4131 12.4131 12.6354 12.6354 12.8272 12.8272 k = 0.3846 0.3846-0.0000 ( 4542 PWs) bands (ev): -33.4805 -33.4805 -33.4804 -33.4804 -14.4865 -14.4865 -14.4852 -14.4852 -13.0625 -13.0625 -13.0621 -13.0621 -13.0493 -13.0493 -13.0454 -13.0454 -2.2810 -2.2810 -1.5695 -1.5695 -1.0046 -1.0046 -0.9116 -0.9116 3.2468 3.2468 3.9773 3.9773 5.4625 5.4625 5.5108 5.5108 5.7605 5.7605 6.1998 6.1998 7.2784 7.2784 7.5243 7.5243 7.7611 7.7611 8.0212 8.0212 11.4040 11.4040 11.5029 11.5029 11.8451 11.8451 12.3922 12.3922 12.6328 12.6328 12.8244 12.8244 k = 0.3750 0.3750-0.0000 ( 4544 PWs) bands (ev): -33.4806 -33.4806 -33.4805 -33.4805 -14.4862 -14.4862 -14.4846 -14.4846 -13.0615 -13.0615 -13.0610 -13.0610 -13.0495 -13.0495 -13.0450 -13.0450 -2.3517 -2.3517 -1.5357 -1.5357 -1.0161 -1.0161 -0.9044 -0.9044 3.2722 3.2722 4.1120 4.1120 5.4014 5.4014 5.5187 5.5187 5.7792 5.7792 6.2194 6.2194 7.2911 7.2911 7.5544 7.5544 7.7724 7.7724 8.0495 8.0495 11.3228 11.3228 11.3912 11.3912 11.8186 11.8186 12.3685 12.3685 12.6228 12.6228 12.7984 12.7984 k = 0.3654 0.3654-0.0000 ( 4556 PWs) bands (ev): -33.4807 -33.4807 -33.4806 -33.4806 -14.4858 -14.4858 -14.4840 -14.4840 -13.0604 -13.0604 -13.0598 -13.0598 -13.0497 -13.0497 -13.0446 -13.0446 -2.4238 -2.4238 -1.4991 -1.4991 -1.0291 -1.0291 -0.8973 -0.8973 3.2996 3.2996 4.2520 4.2520 5.3404 5.3404 5.5314 5.5314 5.8013 5.8013 6.2405 6.2405 7.2993 7.2993 7.5708 7.5708 7.7974 7.7974 8.0810 8.0810 11.1336 11.1336 11.3870 11.3870 11.7920 11.7920 12.3419 12.3419 12.6065 12.6065 12.7601 12.7601 k = 0.3558 0.3558-0.0000 ( 4556 PWs) bands (ev): -33.4808 -33.4808 -33.4807 -33.4807 -14.4854 -14.4854 -14.4834 -14.4834 -13.0592 -13.0592 -13.0586 -13.0586 -13.0500 -13.0500 -13.0442 -13.0442 -2.4969 -2.4969 -1.4600 -1.4600 -1.0437 -1.0437 -0.8903 -0.8903 3.3289 3.3289 4.3961 4.3961 5.2812 5.2812 5.5496 5.5496 5.8261 5.8261 6.2631 6.2631 7.3027 7.3027 7.5752 7.5752 7.8339 7.8339 8.1157 8.1157 10.9361 10.9361 11.3930 11.3930 11.7647 11.7647 12.3123 12.3123 12.5852 12.5852 12.7201 12.7201 k = 0.3462 0.3462-0.0000 ( 4544 PWs) bands (ev): -33.4809 -33.4809 -33.4808 -33.4808 -14.4850 -14.4850 -14.4827 -14.4827 -13.0579 -13.0579 -13.0573 -13.0573 -13.0503 -13.0503 -13.0438 -13.0438 -2.5706 -2.5706 -1.4183 -1.4183 -1.0598 -1.0598 -0.8836 -0.8836 3.3602 3.3602 4.5417 4.5417 5.2260 5.2260 5.5739 5.5739 5.8534 5.8534 6.2872 6.2872 7.3015 7.3015 7.5715 7.5715 7.8777 7.8777 8.1541 8.1541 10.7323 10.7323 11.4085 11.4085 11.7365 11.7365 12.2796 12.2796 12.5602 12.5602 12.6792 12.6792 k = 0.3365 0.3365-0.0000 ( 4550 PWs) bands (ev): -33.4810 -33.4810 -33.4809 -33.4809 -14.4845 -14.4845 -14.4820 -14.4820 -13.0567 -13.0567 -13.0559 -13.0559 -13.0505 -13.0505 -13.0434 -13.0434 -2.6445 -2.6445 -1.3740 -1.3740 -1.0773 -1.0773 -0.8774 -0.8774 3.3934 3.3934 4.6841 4.6841 5.1786 5.1786 5.6053 5.6053 5.8829 5.8829 6.3127 6.3127 7.2962 7.2962 7.5629 7.5629 7.9249 7.9249 8.1962 8.1962 10.5238 10.5238 11.4324 11.4324 11.7073 11.7073 12.2439 12.2439 12.5328 12.5328 12.6366 12.6366 k = 0.3269 0.3269-0.0000 ( 4556 PWs) bands (ev): -33.4812 -33.4812 -33.4810 -33.4810 -14.4840 -14.4840 -14.4813 -14.4813 -13.0553 -13.0553 -13.0545 -13.0545 -13.0508 -13.0508 -13.0429 -13.0429 -2.7184 -2.7184 -1.3272 -1.3272 -1.0962 -1.0962 -0.8716 -0.8716 3.4285 3.4285 4.8113 4.8113 5.1498 5.1498 5.6453 5.6453 5.9146 5.9146 6.3396 6.3396 7.2872 7.2872 7.5514 7.5514 7.9733 7.9733 8.2423 8.2423 10.3120 10.3120 11.4633 11.4633 11.6767 11.6767 12.2050 12.2050 12.5042 12.5042 12.5914 12.5914 k = 0.3173 0.3173-0.0000 ( 4568 PWs) bands (ev): -33.4813 -33.4813 -33.4812 -33.4812 -14.4836 -14.4836 -14.4806 -14.4806 -13.0539 -13.0539 -13.0530 -13.0530 -13.0511 -13.0511 -13.0424 -13.0424 -2.7919 -2.7919 -1.2778 -1.2778 -1.1164 -1.1164 -0.8666 -0.8666 3.4655 3.4655 4.8915 4.8915 5.1687 5.1687 5.6959 5.6959 5.9486 5.9486 6.3679 6.3679 7.2751 7.2751 7.5382 7.5382 8.0217 8.0217 8.2921 8.2921 10.0980 10.0980 11.4994 11.4994 11.6448 11.6448 12.1630 12.1630 12.4750 12.4750 12.5429 12.5429 k = 0.3077 0.3077-0.0000 ( 4566 PWs) bands (ev): -33.4815 -33.4815 -33.4813 -33.4813 -14.4830 -14.4830 -14.4798 -14.4798 -13.0526 -13.0526 -13.0515 -13.0515 -13.0512 -13.0512 -13.0418 -13.0418 -2.8648 -2.8648 -1.2261 -1.2261 -1.1378 -1.1378 -0.8622 -0.8622 3.5042 3.5042 4.9021 4.9021 5.2543 5.2543 5.7602 5.7602 5.9852 5.9852 6.3976 6.3976 7.2605 7.2605 7.5239 7.5239 8.0696 8.0696 8.3456 8.3456 9.8828 9.8828 11.5380 11.5380 11.6116 11.6116 12.1178 12.1178 12.4450 12.4450 12.4912 12.4912 k = 0.2981 0.2981-0.0000 ( 4561 PWs) bands (ev): -33.4816 -33.4816 -33.4814 -33.4814 -14.4825 -14.4825 -14.4790 -14.4790 -13.0518 -13.0518 -13.0509 -13.0509 -13.0498 -13.0498 -13.0412 -13.0412 -2.9368 -2.9368 -1.1725 -1.1725 -1.1596 -1.1596 -0.8588 -0.8588 3.5448 3.5448 4.8767 4.8767 5.3678 5.3678 5.8420 5.8420 6.0253 6.0253 6.4287 6.4287 7.2442 7.2442 7.5092 7.5092 8.1167 8.1167 8.4022 8.4022 9.6674 9.6674 11.5656 11.5656 11.5875 11.5875 12.0695 12.0695 12.4095 12.4095 12.4409 12.4410 k = 0.2885 0.2885-0.0000 ( 4571 PWs) bands (ev): -33.4818 -33.4818 -33.4815 -33.4815 -14.4820 -14.4820 -14.4782 -14.4782 -13.0520 -13.0520 -13.0495 -13.0495 -13.0482 -13.0482 -13.0405 -13.0405 -3.0078 -3.0078 -1.1842 -1.1842 -1.1149 -1.1149 -0.8562 -0.8562 3.5871 3.5871 4.8412 4.8412 5.4787 5.4787 5.9425 5.9425 6.0717 6.0717 6.4612 6.4612 7.2267 7.2267 7.4948 7.4948 8.1629 8.1629 8.4613 8.4613 9.4528 9.4528 11.5342 11.5342 11.6175 11.6175 12.0180 12.0180 12.3552 12.3552 12.4050 12.4050 k = 0.2788 0.2788-0.0000 ( 4571 PWs) bands (ev): -33.4819 -33.4819 -33.4816 -33.4816 -14.4814 -14.4814 -14.4773 -14.4773 -13.0523 -13.0523 -13.0480 -13.0480 -13.0465 -13.0465 -13.0398 -13.0398 -3.0776 -3.0776 -1.2086 -1.2086 -1.0560 -1.0560 -0.8547 -0.8547 3.6310 3.6310 4.8038 4.8038 5.5768 5.5768 6.0467 6.0467 6.1398 6.1398 6.4950 6.4950 7.2091 7.2091 7.4815 7.4815 8.2081 8.2081 8.5220 8.5220 9.2403 9.2403 11.4938 11.4938 11.6482 11.6482 11.9635 11.9635 12.2869 12.2869 12.3784 12.3784 k = 0.2692 0.2692-0.0000 ( 4571 PWs) bands (ev): -33.4820 -33.4820 -33.4818 -33.4818 -14.4809 -14.4809 -14.4765 -14.4765 -13.0525 -13.0525 -13.0465 -13.0465 -13.0449 -13.0449 -13.0391 -13.0391 -3.1460 -3.1460 -1.2339 -1.2339 -0.9948 -0.9948 -0.8542 -0.8542 3.6766 3.6766 4.7675 4.7675 5.6621 5.6621 6.1192 6.1192 6.2606 6.2606 6.5306 6.5306 7.1925 7.1925 7.4699 7.4699 8.2517 8.2517 8.5824 8.5824 9.0326 9.0326 11.4501 11.4501 11.6716 11.6716 11.9064 11.9064 12.2109 12.2109 12.3550 12.3550 k = 0.2596 0.2596-0.0000 ( 4565 PWs) bands (ev): -33.4822 -33.4822 -33.4819 -33.4819 -14.4803 -14.4803 -14.4756 -14.4756 -13.0528 -13.0528 -13.0451 -13.0451 -13.0432 -13.0432 -13.0382 -13.0382 -3.2129 -3.2129 -1.2598 -1.2598 -0.9314 -0.9314 -0.8548 -0.8548 3.7236 3.7236 4.7333 4.7333 5.7379 5.7379 6.1727 6.1727 6.4128 6.4128 6.5691 6.5691 7.1784 7.1784 7.4612 7.4612 8.2920 8.2920 8.6335 8.6335 8.8409 8.8409 11.4031 11.4031 11.6859 11.6859 11.8471 11.8471 12.1287 12.1287 12.3331 12.3331 k = 0.2500 0.2500-0.0000 ( 4565 PWs) bands (ev): -33.4823 -33.4823 -33.4820 -33.4820 -14.4797 -14.4797 -14.4747 -14.4747 -13.0531 -13.0531 -13.0438 -13.0438 -13.0415 -13.0415 -13.0372 -13.0372 -3.2781 -3.2781 -1.2863 -1.2863 -0.8663 -0.8663 -0.8562 -0.8562 3.7721 3.7721 4.7019 4.7019 5.8071 5.8071 6.2234 6.2234 6.5586 6.5586 6.6245 6.6245 7.1696 7.1696 7.4571 7.4571 8.3201 8.3201 8.5907 8.5907 8.7587 8.7587 11.3525 11.3525 11.6903 11.6903 11.7869 11.7869 12.0416 12.0416 12.3122 12.3122 k = 0.2404 0.2404-0.0000 ( 4569 PWs) bands (ev): -33.4825 -33.4825 -33.4821 -33.4821 -14.4792 -14.4792 -14.4738 -14.4738 -13.0533 -13.0533 -13.0425 -13.0425 -13.0398 -13.0398 -13.0360 -13.0360 -3.3415 -3.3415 -1.3132 -1.3132 -0.8597 -0.8597 -0.7981 -0.7981 3.8218 3.8218 4.6735 4.6735 5.8711 5.8711 6.2747 6.2747 6.6266 6.6266 6.7545 6.7545 7.1709 7.1709 7.4610 7.4610 8.2853 8.2853 8.4854 8.4854 8.8055 8.8055 11.2984 11.2984 11.6805 11.6805 11.7315 11.7315 11.9505 11.9505 12.2915 12.2915 k = 0.2308 0.2308-0.0000 ( 4569 PWs) bands (ev): -33.4826 -33.4826 -33.4822 -33.4822 -14.4786 -14.4786 -14.4729 -14.4729 -13.0536 -13.0536 -13.0414 -13.0414 -13.0381 -13.0381 -13.0347 -13.0347 -3.4031 -3.4031 -1.3403 -1.3403 -0.8636 -0.8636 -0.7286 -0.7286 3.8728 3.8728 4.6482 4.6482 5.9305 5.9305 6.3275 6.3275 6.6678 6.6678 6.8896 6.8896 7.1909 7.1909 7.4808 7.4808 8.1348 8.1348 8.4839 8.4839 8.8683 8.8683 11.2404 11.2404 11.6387 11.6387 11.7002 11.7002 11.8569 11.8569 12.2703 12.2703 k = 0.2212 0.2212-0.0000 ( 4569 PWs) bands (ev): -33.4828 -33.4828 -33.4824 -33.4824 -14.4780 -14.4780 -14.4721 -14.4721 -13.0538 -13.0538 -13.0404 -13.0404 -13.0365 -13.0365 -13.0333 -13.0333 -3.4627 -3.4627 -1.3676 -1.3676 -0.8687 -0.8687 -0.6572 -0.6572 3.9247 3.9247 4.6261 4.6261 5.9847 5.9847 6.3818 6.3818 6.7060 6.7060 6.9830 6.9830 7.2343 7.2343 7.5340 7.5340 7.9505 7.9505 8.5183 8.5183 8.9335 8.9335 11.1787 11.1787 11.5765 11.5765 11.6831 11.6831 11.7624 11.7624 12.2478 12.2478 k = 0.2115 0.2115-0.0000 ( 4569 PWs) bands (ev): -33.4829 -33.4829 -33.4825 -33.4825 -14.4774 -14.4774 -14.4712 -14.4712 -13.0540 -13.0540 -13.0395 -13.0395 -13.0348 -13.0348 -13.0317 -13.0317 -3.5203 -3.5203 -1.3949 -1.3949 -0.8748 -0.8748 -0.5842 -0.5842 3.9775 3.9775 4.6071 4.6071 6.0329 6.0329 6.4372 6.4372 6.7427 6.7427 7.0351 7.0351 7.2779 7.2779 7.6410 7.6410 7.7651 7.7651 8.5599 8.5599 8.9989 8.9989 11.1132 11.1132 11.5100 11.5100 11.6553 11.6553 11.6789 11.6789 12.2232 12.2232 k = 0.2019 0.2019-0.0000 ( 4561 PWs) bands (ev): -33.4830 -33.4830 -33.4826 -33.4826 -14.4769 -14.4769 -14.4703 -14.4703 -13.0543 -13.0543 -13.0387 -13.0387 -13.0331 -13.0331 -13.0301 -13.0301 -3.5757 -3.5757 -1.4220 -1.4220 -0.8819 -0.8819 -0.5096 -0.5096 4.0310 4.0310 4.5912 4.5912 6.0742 6.0742 6.4923 6.4923 6.7774 6.7774 7.0701 7.0701 7.3006 7.3006 7.5892 7.5892 7.7957 7.7957 8.6034 8.6034 9.0635 9.0635 11.0441 11.0441 11.4425 11.4425 11.5684 11.5684 11.6544 11.6544 12.1956 12.1956 k = 0.1923 0.1923-0.0000 ( 4559 PWs) bands (ev): -33.4832 -33.4832 -33.4827 -33.4827 -14.4763 -14.4763 -14.4694 -14.4694 -13.0545 -13.0545 -13.0380 -13.0380 -13.0315 -13.0315 -13.0285 -13.0285 -3.6289 -3.6289 -1.4488 -1.4488 -0.8898 -0.8898 -0.4336 -0.4336 4.0849 4.0849 4.5781 4.5781 6.1078 6.1078 6.5452 6.5452 6.8084 6.8084 7.1003 7.1003 7.2977 7.2977 7.4428 7.4428 7.9763 7.9763 8.6476 8.6476 9.1267 9.1267 10.9716 10.9716 11.3751 11.3751 11.4759 11.4759 11.6367 11.6367 12.1645 12.1645 k = 0.1827 0.1827-0.0000 ( 4559 PWs) bands (ev): -33.4833 -33.4833 -33.4828 -33.4828 -14.4757 -14.4757 -14.4686 -14.4686 -13.0547 -13.0547 -13.0373 -13.0373 -13.0298 -13.0298 -13.0268 -13.0268 -3.6799 -3.6799 -1.4753 -1.4753 -0.8985 -0.8985 -0.3565 -0.3565 4.1389 4.1389 4.5677 4.5677 6.1332 6.1332 6.5915 6.5915 6.8304 6.8304 7.1090 7.1090 7.2567 7.2567 7.3789 7.3789 8.1681 8.1681 8.6919 8.6919 9.1879 9.1879 10.8961 10.8961 11.3087 11.3087 11.3857 11.3857 11.6196 11.6196 12.1296 12.1296 k = 0.1731 0.1731-0.0000 ( 4559 PWs) bands (ev): -33.4834 -33.4834 -33.4829 -33.4829 -14.4752 -14.4752 -14.4678 -14.4678 -13.0549 -13.0549 -13.0366 -13.0366 -13.0282 -13.0282 -13.0251 -13.0251 -3.7285 -3.7285 -1.5012 -1.5012 -0.9078 -0.9078 -0.2784 -0.2784 4.1928 4.1928 4.5598 4.5598 6.1506 6.1506 6.6192 6.6192 6.8302 6.8302 7.0643 7.0643 7.2655 7.2655 7.3732 7.3732 8.3628 8.3628 8.7369 8.7369 9.2470 9.2470 10.8178 10.8178 11.2440 11.2440 11.2989 11.2989 11.6033 11.6033 12.0910 12.0910 k = 0.1635 0.1635-0.0000 ( 4555 PWs) bands (ev): -33.4836 -33.4836 -33.4830 -33.4830 -14.4747 -14.4747 -14.4669 -14.4669 -13.0551 -13.0551 -13.0361 -13.0361 -13.0267 -13.0267 -13.0235 -13.0235 -3.7747 -3.7747 -1.5264 -1.5264 -0.9177 -0.9177 -0.1996 -0.1996 4.2462 4.2462 4.5543 4.5543 6.1604 6.1604 6.5927 6.5927 6.8150 6.8150 7.0442 7.0442 7.3219 7.3219 7.3806 7.3806 8.5516 8.5516 8.7863 8.7863 9.3039 9.3039 10.7374 10.7374 11.1816 11.1816 11.2166 11.2166 11.5883 11.5883 12.0494 12.0494 k = 0.1538 0.1538-0.0000 ( 4545 PWs) bands (ev): -33.4837 -33.4837 -33.4831 -33.4831 -14.4742 -14.4742 -14.4662 -14.4662 -13.0552 -13.0552 -13.0355 -13.0355 -13.0251 -13.0251 -13.0219 -13.0219 -3.8186 -3.8186 -1.5509 -1.5509 -0.9280 -0.9280 -0.1203 -0.1203 4.2988 4.2988 4.5509 4.5509 6.1637 6.1637 6.4907 6.4907 6.8295 6.8295 7.0639 7.0639 7.3803 7.3803 7.4086 7.4086 8.7107 8.7107 8.8592 8.8592 9.3598 9.3598 10.6553 10.6553 11.1209 11.1209 11.1406 11.1406 11.5748 11.5748 12.0055 12.0055 k = 0.1442 0.1442-0.0000 ( 4545 PWs) bands (ev): -33.4838 -33.4838 -33.4832 -33.4832 -14.4737 -14.4737 -14.4654 -14.4654 -13.0554 -13.0554 -13.0350 -13.0350 -13.0236 -13.0236 -13.0203 -13.0203 -3.8600 -3.8600 -1.5744 -1.5744 -0.9386 -0.9386 -0.0410 -0.0410 4.3501 4.3501 4.5495 4.5495 6.1615 6.1615 6.3534 6.3534 6.8645 6.8645 7.1002 7.1002 7.3996 7.3996 7.4895 7.4895 8.7971 8.7971 8.9922 8.9922 9.4179 9.4179 10.5720 10.5720 11.0577 11.0577 11.0764 11.0764 11.5634 11.5634 11.9604 11.9604 k = 0.1346 0.1346-0.0000 ( 4553 PWs) bands (ev): -33.4839 -33.4839 -33.4833 -33.4833 -14.4732 -14.4732 -14.4647 -14.4647 -13.0555 -13.0555 -13.0345 -13.0345 -13.0222 -13.0222 -13.0188 -13.0188 -3.8988 -3.8988 -1.5970 -1.5970 -0.9493 -0.9493 0.0380 0.0380 4.3995 4.3995 4.5499 4.5499 6.1550 6.1550 6.2076 6.2076 6.9059 6.9059 7.1431 7.1431 7.4166 7.4166 7.5832 7.5832 8.8419 8.8419 9.1427 9.1427 9.4870 9.4870 10.4882 10.4882 10.9926 10.9926 11.0244 11.0244 11.5543 11.5543 11.9154 11.9154 k = 0.1250 0.1250-0.0000 ( 4549 PWs) bands (ev): -33.4840 -33.4840 -33.4834 -33.4834 -14.4727 -14.4727 -14.4640 -14.4640 -13.0557 -13.0557 -13.0340 -13.0340 -13.0209 -13.0209 -13.0173 -13.0173 -3.9352 -3.9352 -1.6185 -1.6185 -0.9600 -0.9600 0.1163 0.1163 4.4462 4.4462 4.5520 4.5520 6.0620 6.0620 6.1460 6.1460 6.9490 6.9490 7.1890 7.1890 7.4357 7.4357 7.6825 7.6825 8.8744 8.8744 9.2630 9.2630 9.5830 9.5830 10.4046 10.4046 10.9311 10.9311 10.9796 10.9796 11.5477 11.5477 11.8718 11.8718 k = 0.1154 0.1154-0.0000 ( 4543 PWs) bands (ev): -33.4841 -33.4841 -33.4835 -33.4835 -14.4723 -14.4723 -14.4633 -14.4633 -13.0558 -13.0558 -13.0336 -13.0336 -13.0196 -13.0196 -13.0159 -13.0159 -3.9689 -3.9689 -1.6387 -1.6387 -0.9705 -0.9705 0.1933 0.1933 4.4890 4.4890 4.5563 4.5563 5.9217 5.9217 6.1344 6.1344 6.9919 6.9919 7.2362 7.2362 7.4572 7.4572 7.7848 7.7848 8.9009 8.9009 9.3378 9.3378 9.7126 9.7126 10.3218 10.3218 10.8746 10.8746 10.9411 10.9411 11.5436 11.5436 11.8309 11.8309 k = 0.1058 0.1058-0.0000 ( 4551 PWs) bands (ev): -33.4842 -33.4842 -33.4836 -33.4836 -14.4719 -14.4719 -14.4627 -14.4627 -13.0559 -13.0559 -13.0332 -13.0332 -13.0184 -13.0184 -13.0146 -13.0146 -4.0001 -4.0001 -1.6577 -1.6577 -0.9807 -0.9807 0.2686 0.2686 4.5245 4.5245 4.5652 4.5652 5.7884 5.7884 6.1216 6.1216 7.0337 7.0337 7.2838 7.2838 7.4811 7.4811 7.8875 7.8875 8.9237 8.9237 9.3786 9.3786 9.8602 9.8602 10.2406 10.2406 10.8231 10.8231 10.9088 10.9088 11.5419 11.5419 11.7938 11.7938 k = 0.0962 0.0962-0.0000 ( 4551 PWs) bands (ev): -33.4843 -33.4843 -33.4837 -33.4837 -14.4715 -14.4715 -14.4622 -14.4622 -13.0560 -13.0560 -13.0328 -13.0328 -13.0172 -13.0172 -13.0134 -13.0134 -4.0286 -4.0286 -1.6753 -1.6753 -0.9906 -0.9906 0.3415 0.3415 4.5456 4.5456 4.5847 4.5847 5.6642 5.6642 6.1083 6.1083 7.0736 7.0736 7.3311 7.3311 7.5072 7.5072 7.9883 7.9883 8.9440 8.9440 9.4001 9.4001 10.0083 10.0083 10.1620 10.1620 10.7764 10.7764 10.8829 10.8829 11.5419 11.5419 11.7613 11.7613 k = 0.0865 0.0865-0.0000 ( 4547 PWs) bands (ev): -33.4843 -33.4843 -33.4837 -33.4837 -14.4712 -14.4712 -14.4616 -14.4616 -13.0561 -13.0561 -13.0324 -13.0324 -13.0162 -13.0162 -13.0123 -13.0123 -4.0545 -4.0545 -1.6915 -1.6915 -0.9999 -0.9999 0.4112 0.4112 4.5552 4.5552 4.6106 4.6106 5.5508 5.5508 6.0951 6.0951 7.1112 7.1112 7.3775 7.3775 7.5350 7.5350 8.0843 8.0843 8.9637 8.9637 9.4098 9.4098 10.0835 10.0835 10.1498 10.1498 10.7342 10.7342 10.8636 10.8636 11.5424 11.5424 11.7341 11.7341 k = 0.0769 0.0769-0.0000 ( 4555 PWs) bands (ev): -33.4844 -33.4844 -33.4838 -33.4838 -14.4709 -14.4709 -14.4612 -14.4612 -13.0562 -13.0562 -13.0321 -13.0321 -13.0153 -13.0153 -13.0112 -13.0112 -4.0777 -4.0777 -1.7061 -1.7061 -1.0085 -1.0085 0.4771 0.4771 4.5614 4.5614 4.6336 4.6336 5.4500 5.4500 6.0823 6.0823 7.1459 7.1459 7.4223 7.4223 7.5639 7.5639 8.1726 8.1726 8.9844 8.9844 9.4120 9.4120 10.0130 10.0130 10.2718 10.2718 10.6965 10.6965 10.8508 10.8508 11.5419 11.5419 11.7121 11.7121 k = 0.0673 0.0673-0.0000 ( 4551 PWs) bands (ev): -33.4845 -33.4845 -33.4838 -33.4838 -14.4706 -14.4706 -14.4607 -14.4607 -13.0563 -13.0563 -13.0319 -13.0319 -13.0144 -13.0144 -13.0103 -13.0103 -4.0983 -4.0983 -1.7192 -1.7192 -1.0164 -1.0164 0.5382 0.5382 4.5666 4.5666 4.6500 4.6500 5.3634 5.3634 6.0703 6.0703 7.1773 7.1773 7.4650 7.4650 7.5932 7.5932 8.2500 8.2500 9.0082 9.0082 9.4093 9.4093 9.9462 9.9462 10.3746 10.3746 10.6642 10.6642 10.8448 10.8448 11.5384 11.5384 11.6952 11.6952 k = 0.0577 0.0577-0.0000 ( 4561 PWs) bands (ev): -33.4846 -33.4846 -33.4839 -33.4839 -14.4704 -14.4704 -14.4604 -14.4604 -13.0563 -13.0563 -13.0316 -13.0316 -13.0137 -13.0137 -13.0095 -13.0095 -4.1161 -4.1161 -1.7307 -1.7307 -1.0235 -1.0235 0.5938 0.5938 4.5711 4.5711 4.6586 4.6586 5.2925 5.2925 6.0595 6.0595 7.2052 7.2052 7.5048 7.5048 7.6220 7.6220 8.3141 8.3141 9.0362 9.0362 9.4035 9.4035 9.8853 9.8853 10.4530 10.4530 10.6396 10.6396 10.8453 10.8453 11.5307 11.5307 11.6828 11.6828 k = 0.0481 0.0481-0.0000 ( 4565 PWs) bands (ev): -33.4846 -33.4846 -33.4839 -33.4839 -14.4702 -14.4702 -14.4600 -14.4600 -13.0564 -13.0564 -13.0314 -13.0314 -13.0130 -13.0130 -13.0088 -13.0088 -4.1312 -4.1312 -1.7404 -1.7404 -1.0296 -1.0296 0.6428 0.6428 4.5751 4.5751 4.6592 4.6592 5.2377 5.2377 6.0500 6.0500 7.2293 7.2293 7.5407 7.5407 7.6491 7.6491 8.3636 8.3636 9.0684 9.0684 9.3965 9.3965 9.8312 9.8312 10.5010 10.5010 10.6288 10.6288 10.8519 10.8519 11.5182 11.5182 11.6741 11.6741 k = 0.0385 0.0385-0.0000 ( 4561 PWs) bands (ev): -33.4846 -33.4846 -33.4839 -33.4839 -14.4700 -14.4700 -14.4598 -14.4598 -13.0564 -13.0564 -13.0312 -13.0312 -13.0125 -13.0125 -13.0082 -13.0082 -4.1436 -4.1436 -1.7485 -1.7485 -1.0347 -1.0347 0.6845 0.6845 4.5785 4.5785 4.6532 4.6532 5.1983 5.1983 6.0420 6.0420 7.2494 7.2494 7.5720 7.5720 7.6734 7.6734 8.3989 8.3989 9.1026 9.1026 9.3897 9.3897 9.7852 9.7852 10.5160 10.5160 10.6367 10.6367 10.8630 10.8630 11.5017 11.5017 11.6684 11.6684 k = 0.0288 0.0288-0.0000 ( 4565 PWs) bands (ev): -33.4847 -33.4847 -33.4840 -33.4840 -14.4699 -14.4699 -14.4596 -14.4596 -13.0564 -13.0564 -13.0311 -13.0311 -13.0121 -13.0121 -13.0078 -13.0078 -4.1532 -4.1532 -1.7547 -1.7547 -1.0387 -1.0387 0.7179 0.7179 4.5812 4.5812 4.6434 4.6434 5.1721 5.1721 6.0356 6.0356 7.2653 7.2653 7.5976 7.5976 7.6938 7.6938 8.4221 8.4221 9.1351 9.1351 9.3841 9.3841 9.7481 9.7481 10.5119 10.5119 10.6528 10.6528 10.8763 10.8763 11.4834 11.4834 11.6648 11.6648 k = 0.0192 0.0192-0.0000 ( 4551 PWs) bands (ev): -33.4847 -33.4847 -33.4840 -33.4840 -14.4698 -14.4698 -14.4594 -14.4594 -13.0565 -13.0565 -13.0310 -13.0310 -13.0118 -13.0118 -13.0075 -13.0075 -4.1601 -4.1601 -1.7593 -1.7593 -1.0416 -1.0416 0.7423 0.7423 4.5832 4.5832 4.6333 4.6333 5.1561 5.1561 6.0310 6.0310 7.2767 7.2767 7.6167 7.6167 7.7093 7.7093 8.4360 8.4360 9.1617 9.1617 9.3805 9.3805 9.7208 9.7208 10.5036 10.5036 10.6664 10.6664 10.8886 10.8886 11.4664 11.4664 11.6626 11.6626 k = 0.0096 0.0096-0.0000 ( 4547 PWs) bands (ev): -33.4846 -33.4846 -33.4840 -33.4840 -14.4697 -14.4697 -14.4593 -14.4593 -13.0565 -13.0565 -13.0310 -13.0310 -13.0116 -13.0116 -13.0073 -13.0073 -4.1642 -4.1642 -1.7620 -1.7620 -1.0434 -1.0434 0.7572 0.7572 4.5845 4.5845 4.6258 4.6258 5.1477 5.1477 6.0282 6.0282 7.2837 7.2837 7.6285 7.6285 7.7190 7.7190 8.4432 8.4432 9.1789 9.1789 9.3787 9.3787 9.7042 9.7042 10.4973 10.4973 10.6746 10.6746 10.8972 10.8972 11.4542 11.4542 11.6616 11.6616 k = 0.0000 0.0000 0.0000 ( 4541 PWs) bands (ev): -33.4847 -33.4847 -33.4840 -33.4840 -14.4697 -14.4697 -14.4593 -14.4593 -13.0565 -13.0565 -13.0309 -13.0309 -13.0116 -13.0116 -13.0072 -13.0072 -4.1656 -4.1656 -1.7629 -1.7629 -1.0440 -1.0440 0.7623 0.7623 4.5849 4.5849 4.6231 4.6231 5.1451 5.1451 6.0273 6.0273 7.2860 7.2860 7.6325 7.6325 7.7223 7.7223 8.4454 8.4454 9.1848 9.1848 9.3782 9.3782 9.6986 9.6986 10.4950 10.4950 10.6773 10.6773 10.9003 10.9003 11.4498 11.4498 11.6612 11.6612 k = 0.0000 0.0000 0.0000 ( 4541 PWs) bands (ev): -33.4847 -33.4847 -33.4840 -33.4840 -14.4697 -14.4697 -14.4593 -14.4593 -13.0565 -13.0565 -13.0309 -13.0309 -13.0116 -13.0116 -13.0072 -13.0072 -4.1656 -4.1656 -1.7629 -1.7629 -1.0440 -1.0440 0.7623 0.7623 4.5849 4.5849 4.6231 4.6231 5.1451 5.1451 6.0273 6.0273 7.2860 7.2860 7.6325 7.6325 7.7223 7.7223 8.4454 8.4454 9.1848 9.1848 9.3782 9.3782 9.6986 9.6986 10.4950 10.4950 10.6773 10.6773 10.9003 10.9003 11.4498 11.4498 11.6612 11.6612 k = 0.0000 0.0000 0.0134 ( 4549 PWs) bands (ev): -33.4847 -33.4847 -33.4840 -33.4840 -14.4697 -14.4697 -14.4593 -14.4593 -13.0564 -13.0564 -13.0310 -13.0310 -13.0116 -13.0116 -13.0072 -13.0072 -4.1654 -4.1654 -1.7647 -1.7647 -1.0422 -1.0422 0.7623 0.7623 4.5823 4.5823 4.6231 4.6231 5.1450 5.1450 6.0327 6.0327 7.2859 7.2859 7.6320 7.6320 7.7221 7.7221 8.4448 8.4448 9.1854 9.1854 9.3712 9.3712 9.7011 9.7011 10.4985 10.4985 10.6778 10.6778 10.9011 10.9011 11.4502 11.4502 11.6608 11.6608 k = 0.0000 0.0000 0.0267 ( 4549 PWs) bands (ev): -33.4847 -33.4847 -33.4840 -33.4840 -14.4696 -14.4696 -14.4594 -14.4594 -13.0563 -13.0563 -13.0311 -13.0311 -13.0115 -13.0115 -13.0073 -13.0073 -4.1647 -4.1647 -1.7701 -1.7701 -1.0368 -1.0368 0.7623 0.7623 4.5746 4.5746 4.6230 4.6230 5.1450 5.1450 6.0486 6.0486 7.2856 7.2856 7.6303 7.6303 7.7216 7.7216 8.4430 8.4430 9.1869 9.1869 9.3505 9.3505 9.7084 9.7084 10.5088 10.5088 10.6796 10.6796 10.9036 10.9036 11.4512 11.4512 11.6595 11.6595 k = 0.0000 0.0000 0.0401 ( 4553 PWs) bands (ev): -33.4846 -33.4846 -33.4840 -33.4840 -14.4695 -14.4695 -14.4595 -14.4595 -13.0561 -13.0561 -13.0314 -13.0314 -13.0115 -13.0115 -13.0073 -13.0073 -4.1637 -4.1637 -1.7787 -1.7787 -1.0283 -1.0283 0.7623 0.7623 4.5623 4.5623 4.6229 4.6229 5.1448 5.1448 6.0748 6.0748 7.2851 7.2851 7.6276 7.6276 7.7208 7.7208 8.4396 8.4396 9.1894 9.1894 9.3171 9.3171 9.7205 9.7205 10.5256 10.5256 10.6831 10.6831 10.9075 10.9075 11.4530 11.4530 11.6574 11.6574 k = 0.0000 0.0000 0.0535 ( 4553 PWs) bands (ev): -33.4846 -33.4846 -33.4841 -33.4841 -14.4694 -14.4694 -14.4596 -14.4596 -13.0557 -13.0557 -13.0317 -13.0317 -13.0114 -13.0114 -13.0073 -13.0073 -4.1622 -4.1622 -1.7902 -1.7902 -1.0170 -1.0170 0.7623 0.7623 4.5462 4.5462 4.6229 4.6229 5.1446 5.1446 6.1102 6.1102 7.2846 7.2846 7.6239 7.6239 7.7197 7.7197 8.4342 8.4342 9.1929 9.1929 9.2727 9.2727 9.7371 9.7371 10.5482 10.5482 10.6892 10.6892 10.9130 10.9130 11.4555 11.4555 11.6545 11.6545 k = 0.0000 0.0000 0.0669 ( 4533 PWs) bands (ev): -33.4846 -33.4846 -33.4840 -33.4840 -14.4692 -14.4692 -14.4598 -14.4598 -13.0553 -13.0553 -13.0322 -13.0322 -13.0114 -13.0114 -13.0074 -13.0074 -4.1604 -4.1604 -1.8039 -1.8039 -1.0034 -1.0034 0.7623 0.7623 4.5269 4.5269 4.6228 4.6228 5.1444 5.1444 6.1542 6.1542 7.2840 7.2840 7.6195 7.6195 7.7183 7.7183 8.4260 8.4260 9.1971 9.1971 9.2195 9.2195 9.7579 9.7579 10.5748 10.5748 10.6998 10.6998 10.9197 10.9197 11.4587 11.4587 11.6507 11.6507 k = 0.0000 0.0000 0.0802 ( 4525 PWs) bands (ev): -33.4846 -33.4846 -33.4840 -33.4840 -14.4690 -14.4690 -14.4600 -14.4600 -13.0548 -13.0548 -13.0327 -13.0327 -13.0113 -13.0113 -13.0075 -13.0075 -4.1583 -4.1583 -1.8192 -1.8192 -0.9883 -0.9883 0.7623 0.7623 4.5054 4.5054 4.6226 4.6226 5.1442 5.1442 6.2057 6.2057 7.2835 7.2835 7.6144 7.6144 7.7167 7.7167 8.4137 8.4137 9.1604 9.1604 9.2021 9.2021 9.7824 9.7824 10.6025 10.6025 10.7180 10.7180 10.9276 10.9276 11.4626 11.4626 11.6462 11.6462 k = 0.0000 0.0000 0.0936 ( 4513 PWs) bands (ev): -33.4845 -33.4845 -33.4840 -33.4840 -14.4687 -14.4687 -14.4602 -14.4602 -13.0542 -13.0542 -13.0333 -13.0333 -13.0112 -13.0112 -13.0076 -13.0076 -4.1560 -4.1560 -1.8356 -1.8356 -0.9721 -0.9721 0.7623 0.7623 4.4825 4.4825 4.6225 4.6225 5.1439 5.1439 6.2635 6.2635 7.2832 7.2832 7.6088 7.6088 7.7150 7.7150 8.3959 8.3959 9.0985 9.0985 9.2075 9.2075 9.8102 9.8102 10.6267 10.6267 10.7479 10.7479 10.9364 10.9364 11.4671 11.4671 11.6410 11.6410 k = 0.0000 0.0000 0.1070 ( 4509 PWs) bands (ev): -33.4845 -33.4845 -33.4840 -33.4840 -14.4685 -14.4685 -14.4605 -14.4605 -13.0535 -13.0535 -13.0340 -13.0340 -13.0111 -13.0111 -13.0077 -13.0077 -4.1535 -4.1535 -1.8525 -1.8525 -0.9555 -0.9555 0.7624 0.7624 4.4591 4.4591 4.6224 4.6224 5.1436 5.1436 6.3267 6.3267 7.2833 7.2833 7.6029 7.6029 7.7131 7.7131 8.3710 8.3710 9.0373 9.0373 9.2134 9.2134 9.8407 9.8407 10.6451 10.6451 10.7918 10.7918 10.9459 10.9459 11.4722 11.4722 11.6352 11.6352 k = 0.0000 0.0000 0.1204 ( 4505 PWs) bands (ev): -33.4845 -33.4845 -33.4840 -33.4840 -14.4682 -14.4682 -14.4608 -14.4608 -13.0528 -13.0528 -13.0347 -13.0347 -13.0110 -13.0110 -13.0078 -13.0078 -4.1510 -4.1510 -1.8693 -1.8693 -0.9389 -0.9389 0.7624 0.7624 4.4358 4.4358 4.6222 4.6222 5.1433 5.1433 6.3940 6.3940 7.2840 7.2840 7.5969 7.5969 7.7112 7.7112 8.3371 8.3371 8.9804 8.9804 9.2195 9.2195 9.8730 9.8730 10.6586 10.6586 10.8482 10.8482 10.9558 10.9558 11.4778 11.4778 11.6287 11.6287 k = 0.0000 0.0000 0.1337 ( 4506 PWs) bands (ev): -33.4845 -33.4845 -33.4840 -33.4840 -14.4678 -14.4678 -14.4611 -14.4611 -13.0520 -13.0520 -13.0356 -13.0356 -13.0109 -13.0109 -13.0079 -13.0079 -4.1484 -4.1484 -1.8856 -1.8856 -0.9229 -0.9229 0.7624 0.7624 4.4134 4.4134 4.6221 4.6221 5.1430 5.1430 6.4642 6.4642 7.2856 7.2856 7.5910 7.5910 7.7094 7.7094 8.2930 8.2930 8.9306 8.9306 9.2255 9.2255 9.9065 9.9065 10.6693 10.6693 10.9146 10.9146 10.9659 10.9659 11.4840 11.4840 11.6217 11.6217 k = 0.0000 0.0000 0.1471 ( 4494 PWs) bands (ev): -33.4845 -33.4845 -33.4840 -33.4840 -14.4675 -14.4675 -14.4615 -14.4615 -13.0511 -13.0511 -13.0365 -13.0365 -13.0107 -13.0107 -13.0081 -13.0081 -4.1459 -4.1459 -1.9010 -1.9010 -0.9078 -0.9078 0.7624 0.7624 4.3924 4.3924 4.6219 4.6219 5.1427 5.1427 6.5357 6.5357 7.2884 7.2884 7.5854 7.5854 7.7075 7.7075 8.2387 8.2387 8.8897 8.8897 9.2315 9.2315 9.9403 9.9403 10.6783 10.6783 10.9758 10.9758 10.9893 10.9893 11.4907 11.4907 11.6143 11.6143 k = 0.0000 0.0000 0.1605 ( 4498 PWs) bands (ev): -33.4845 -33.4845 -33.4840 -33.4840 -14.4671 -14.4671 -14.4619 -14.4619 -13.0502 -13.0502 -13.0374 -13.0374 -13.0106 -13.0106 -13.0082 -13.0082 -4.1435 -4.1435 -1.9150 -1.9150 -0.8941 -0.8941 0.7625 0.7625 4.3733 4.3733 4.6218 4.6218 5.1424 5.1424 6.6069 6.6069 7.2929 7.2929 7.5801 7.5801 7.7058 7.7058 8.1759 8.1759 8.8579 8.8579 9.2370 9.2370 9.9731 9.9731 10.6861 10.6861 10.9852 10.9852 11.0709 11.0709 11.4978 11.4978 11.6064 11.6064 k = 0.0000 0.0000 0.1739 ( 4498 PWs) bands (ev): -33.4844 -33.4844 -33.4840 -33.4840 -14.4667 -14.4667 -14.4623 -14.4623 -13.0492 -13.0492 -13.0384 -13.0384 -13.0104 -13.0104 -13.0084 -13.0084 -4.1413 -4.1413 -1.9274 -1.9274 -0.8819 -0.8819 0.7625 0.7625 4.3565 4.3565 4.6217 4.6217 5.1422 5.1422 6.6754 6.6754 7.2995 7.2995 7.5754 7.5754 7.7043 7.7043 8.1075 8.1075 8.8344 8.8344 9.2421 9.2421 10.0040 10.0040 10.6928 10.6928 10.9938 10.9938 11.1585 11.1585 11.5053 11.5053 11.5983 11.5983 k = 0.0000 0.0000 0.1872 ( 4482 PWs) bands (ev): -33.4844 -33.4844 -33.4840 -33.4840 -14.4663 -14.4663 -14.4627 -14.4627 -13.0482 -13.0482 -13.0394 -13.0394 -13.0103 -13.0103 -13.0085 -13.0085 -4.1395 -4.1395 -1.9380 -1.9380 -0.8716 -0.8716 0.7625 0.7625 4.3424 4.3424 4.6216 4.6216 5.1420 5.1420 6.7387 6.7387 7.3087 7.3087 7.5714 7.5714 7.7030 7.7030 8.0377 8.0377 8.8178 8.8178 9.2465 9.2465 10.0316 10.0316 10.6986 10.6986 11.0013 11.0013 11.2511 11.2511 11.5129 11.5129 11.5899 11.5899 k = 0.0000 0.0000 0.2006 ( 4478 PWs) bands (ev): -33.4844 -33.4844 -33.4840 -33.4840 -14.4659 -14.4659 -14.4631 -14.4631 -13.0471 -13.0471 -13.0405 -13.0405 -13.0102 -13.0102 -13.0086 -13.0086 -4.1380 -4.1380 -1.9464 -1.9464 -0.8634 -0.8634 0.7625 0.7625 4.3311 4.3311 4.6215 4.6215 5.1418 5.1418 6.7932 6.7932 7.3203 7.3203 7.5681 7.5681 7.7019 7.7019 7.9716 7.9716 8.8064 8.8064 9.2500 9.2500 10.0548 10.0548 10.7032 10.7032 11.0074 11.0074 11.3475 11.3475 11.5207 11.5207 11.5815 11.5815 k = 0.0000 0.0000 0.2140 ( 4478 PWs) bands (ev): -33.4843 -33.4843 -33.4841 -33.4841 -14.4655 -14.4655 -14.4635 -14.4635 -13.0460 -13.0460 -13.0416 -13.0416 -13.0100 -13.0100 -13.0087 -13.0087 -4.1368 -4.1368 -1.9525 -1.9525 -0.8574 -0.8574 0.7625 0.7625 4.3228 4.3228 4.6214 4.6214 5.1417 5.1417 6.8354 6.8354 7.3332 7.3332 7.5658 7.5658 7.7011 7.7011 7.9156 7.9156 8.7992 8.7992 9.2526 9.2526 10.0724 10.0724 10.7065 10.7065 11.0120 11.0120 11.4454 11.4454 11.5282 11.5282 11.5735 11.5735 k = 0.0000 0.0000 0.2274 ( 4486 PWs) bands (ev): -33.4843 -33.4843 -33.4841 -33.4841 -14.4651 -14.4651 -14.4639 -14.4639 -13.0449 -13.0449 -13.0427 -13.0427 -13.0100 -13.0100 -13.0088 -13.0088 -4.1361 -4.1361 -1.9562 -1.9562 -0.8537 -0.8537 0.7625 0.7625 4.3179 4.3179 4.6214 4.6214 5.1416 5.1416 6.8622 6.8622 7.3440 7.3440 7.5643 7.5643 7.7007 7.7007 7.8771 7.8771 8.7952 8.7952 9.2543 9.2543 10.0834 10.0834 10.7086 10.7086 11.0148 11.0148 11.5346 11.5346 11.5386 11.5386 11.5667 11.5667 k = 0.0000 0.0000 0.2407 ( 4466 PWs) bands (ev): -33.4843 -33.4843 -33.4840 -33.4840 -14.4649 -14.4649 -14.4640 -14.4640 -13.0440 -13.0440 -13.0436 -13.0436 -13.0099 -13.0099 -13.0089 -13.0089 -4.1359 -4.1359 -1.9574 -1.9574 -0.8525 -0.8525 0.7625 0.7625 4.3162 4.3162 4.6214 4.6214 5.1416 5.1416 6.8714 6.8714 7.3484 7.3484 7.5638 7.5638 7.7005 7.7005 7.8632 7.8632 8.7939 8.7939 9.2548 9.2548 10.0871 10.0871 10.7093 10.7093 11.0158 11.0158 11.5375 11.5375 11.5637 11.5637 11.5917 11.5917 k = 0.0000 0.0000 0.2407 ( 4466 PWs) bands (ev): -33.4843 -33.4843 -33.4840 -33.4840 -14.4649 -14.4649 -14.4640 -14.4640 -13.0440 -13.0440 -13.0436 -13.0436 -13.0099 -13.0099 -13.0089 -13.0089 -4.1359 -4.1359 -1.9574 -1.9574 -0.8525 -0.8525 0.7625 0.7625 4.3162 4.3162 4.6214 4.6214 5.1416 5.1416 6.8714 6.8714 7.3484 7.3484 7.5638 7.5638 7.7005 7.7005 7.8632 7.8632 8.7939 8.7939 9.2548 9.2548 10.0871 10.0871 10.7093 10.7093 11.0158 11.0158 11.5375 11.5375 11.5637 11.5637 11.5917 11.5917 k = 0.0000 0.0135 0.2407 ( 4494 PWs) bands (ev): -33.4843 -33.4843 -33.4841 -33.4841 -14.4650 -14.4650 -14.4641 -14.4641 -13.0440 -13.0440 -13.0436 -13.0436 -13.0100 -13.0100 -13.0089 -13.0089 -4.1346 -4.1346 -1.9564 -1.9564 -0.8522 -0.8522 0.7576 0.7576 4.3169 4.3169 4.6242 4.6242 5.1440 5.1440 6.8703 6.8703 7.3391 7.3391 7.5584 7.5584 7.6912 7.6912 7.8837 7.8837 8.7898 8.7898 9.2461 9.2461 10.0952 10.0952 10.7040 10.7040 11.0094 11.0094 11.5427 11.5427 11.5551 11.5551 11.5961 11.5961 k = 0.0000 0.0270 0.2407 ( 4496 PWs) bands (ev): -33.4843 -33.4843 -33.4841 -33.4841 -14.4650 -14.4650 -14.4641 -14.4641 -13.0441 -13.0441 -13.0436 -13.0436 -13.0102 -13.0102 -13.0091 -13.0091 -4.1305 -4.1305 -1.9533 -1.9533 -0.8511 -0.8511 0.7428 0.7428 4.3191 4.3191 4.6328 4.6328 5.1512 5.1512 6.8666 6.8666 7.3118 7.3118 7.5450 7.5450 7.6743 7.6743 7.9311 7.9311 8.7778 8.7778 9.2210 9.2210 10.1184 10.1184 10.6881 10.6881 10.9913 10.9913 11.5333 11.5333 11.5582 11.5582 11.6056 11.6056 k = 0.0000 0.0405 0.2407 ( 4500 PWs) bands (ev): -33.4843 -33.4843 -33.4841 -33.4841 -14.4652 -14.4652 -14.4643 -14.4643 -13.0441 -13.0441 -13.0437 -13.0437 -13.0104 -13.0104 -13.0094 -13.0094 -4.1238 -4.1238 -1.9481 -1.9481 -0.8493 -0.8493 0.7183 0.7183 4.3228 4.3228 4.6467 4.6467 5.1633 5.1633 6.8589 6.8589 7.2693 7.2693 7.5294 7.5294 7.6594 7.6594 7.9876 7.9876 8.7590 8.7590 9.1827 9.1827 10.1541 10.1541 10.6622 10.6622 10.9639 10.9639 11.5011 11.5011 11.5829 11.5829 11.6167 11.6167 k = 0.0000 0.0541 0.2407 ( 4502 PWs) bands (ev): -33.4843 -33.4843 -33.4840 -33.4840 -14.4653 -14.4653 -14.4644 -14.4644 -13.0443 -13.0443 -13.0437 -13.0437 -13.0108 -13.0108 -13.0098 -13.0098 -4.1144 -4.1144 -1.9409 -1.9409 -0.8468 -0.8468 0.6846 0.6846 4.3283 4.3283 4.6656 4.6656 5.1801 5.1801 6.8446 6.8446 7.2184 7.2184 7.5152 7.5152 7.6466 7.6466 8.0439 8.0439 8.7353 8.7353 9.1347 9.1347 10.1993 10.1993 10.6272 10.6272 10.9298 10.9298 11.4598 11.4598 11.6048 11.6048 11.6261 11.6261 k = 0.0000 0.0676 0.2407 ( 4506 PWs) bands (ev): -33.4843 -33.4843 -33.4840 -33.4840 -14.4655 -14.4655 -14.4646 -14.4646 -13.0444 -13.0444 -13.0438 -13.0438 -13.0113 -13.0113 -13.0103 -13.0103 -4.1024 -4.1024 -1.9316 -1.9316 -0.8437 -0.8437 0.6421 0.6421 4.3356 4.3356 4.6890 4.6890 5.2015 5.2015 6.8197 6.8197 7.1677 7.1677 7.5029 7.5029 7.6341 7.6341 8.0941 8.0941 8.7093 8.7093 9.0804 9.0804 10.2510 10.2510 10.5842 10.5842 10.8907 10.8907 11.4116 11.4116 11.5785 11.5785 11.6646 11.6646 k = 0.0000 0.0811 0.2407 ( 4522 PWs) bands (ev): -33.4843 -33.4843 -33.4840 -33.4840 -14.4658 -14.4658 -14.4649 -14.4649 -13.0446 -13.0446 -13.0438 -13.0438 -13.0119 -13.0119 -13.0109 -13.0109 -4.0876 -4.0876 -1.9203 -1.9203 -0.8400 -0.8400 0.5912 0.5912 4.3449 4.3449 4.7164 4.7164 5.2274 5.2274 6.7803 6.7803 7.1249 7.1249 7.4915 7.4915 7.6208 7.6208 8.1332 8.1332 8.6850 8.6850 9.0229 9.0229 10.3074 10.3074 10.5344 10.5344 10.8472 10.8472 11.3590 11.3590 11.5332 11.5332 11.6992 11.6992 k = 0.0000 0.0946 0.2407 ( 4530 PWs) bands (ev): -33.4842 -33.4842 -33.4840 -33.4840 -14.4661 -14.4661 -14.4652 -14.4652 -13.0448 -13.0448 -13.0440 -13.0440 -13.0125 -13.0125 -13.0116 -13.0116 -4.0702 -4.0702 -1.9071 -1.9071 -0.8357 -0.8357 0.5327 0.5327 4.3563 4.3563 4.7473 4.7473 5.2577 5.2577 6.7247 6.7247 7.0937 7.0937 7.4802 7.4802 7.6062 7.6062 8.1566 8.1566 8.6665 8.6665 8.9649 8.9649 10.3668 10.3668 10.4791 10.4791 10.7996 10.7996 11.3047 11.3047 11.4784 11.4784 11.7304 11.7304 k = 0.0000 0.1081 0.2407 ( 4538 PWs) bands (ev): -33.4842 -33.4842 -33.4840 -33.4840 -14.4665 -14.4665 -14.4655 -14.4655 -13.0451 -13.0451 -13.0442 -13.0442 -13.0132 -13.0132 -13.0123 -13.0123 -4.0501 -4.0501 -1.8919 -1.8919 -0.8310 -0.8310 0.4672 0.4672 4.3699 4.3699 4.7813 4.7813 5.2921 5.2921 6.6551 6.6551 7.0730 7.0730 7.4682 7.4682 7.5900 7.5900 8.1612 8.1612 8.6561 8.6561 8.9093 8.9093 10.4160 10.4160 10.4312 10.4312 10.7477 10.7477 11.2511 11.2511 11.4173 11.4173 11.7648 11.7648 k = 0.0000 0.1216 0.2407 ( 4536 PWs) bands (ev): -33.4841 -33.4841 -33.4839 -33.4839 -14.4668 -14.4668 -14.4659 -14.4659 -13.0454 -13.0454 -13.0444 -13.0444 -13.0140 -13.0140 -13.0130 -13.0130 -4.0274 -4.0274 -1.8748 -1.8748 -0.8259 -0.8259 0.3953 0.3953 4.3856 4.3856 4.8180 4.8180 5.3303 5.3303 6.5757 6.5757 7.0589 7.0589 7.4547 7.4547 7.5723 7.5723 8.1474 8.1474 8.6511 8.6511 8.8606 8.8606 10.3531 10.3531 10.4923 10.4923 10.6914 10.6914 11.2000 11.2000 11.3530 11.3530 11.8013 11.8013 k = 0.0000 0.1351 0.2407 ( 4544 PWs) bands (ev): -33.4841 -33.4841 -33.4838 -33.4838 -14.4673 -14.4673 -14.4663 -14.4663 -13.0458 -13.0458 -13.0447 -13.0447 -13.0147 -13.0147 -13.0138 -13.0138 -4.0020 -4.0020 -1.8559 -1.8559 -0.8205 -0.8205 0.3176 0.3176 4.4036 4.4036 4.8571 4.8571 5.3720 5.3720 6.4905 6.4905 7.0473 7.0473 7.4391 7.4391 7.5532 7.5532 8.1196 8.1196 8.6416 8.6416 8.8269 8.8269 10.2832 10.2832 10.5567 10.5567 10.6314 10.6314 11.1519 11.1519 11.2893 11.2893 11.8388 11.8388 k = 0.0000 0.1486 0.2407 ( 4542 PWs) bands (ev): -33.4840 -33.4840 -33.4838 -33.4838 -14.4677 -14.4677 -14.4668 -14.4668 -13.0463 -13.0463 -13.0451 -13.0451 -13.0155 -13.0155 -13.0146 -13.0146 -3.9740 -3.9740 -1.8352 -1.8352 -0.8148 -0.8148 0.2349 0.2349 4.4237 4.4237 4.8985 4.8985 5.4168 5.4168 6.4021 6.4021 7.0348 7.0348 7.4207 7.4207 7.5329 7.5329 8.0840 8.0840 8.6165 8.6165 8.8153 8.8153 10.2079 10.2079 10.5682 10.5682 10.6223 10.6223 11.1062 11.1062 11.2307 11.2307 11.8764 11.8764 k = 0.0000 0.1622 0.2407 ( 4538 PWs) bands (ev): -33.4839 -33.4839 -33.4837 -33.4837 -14.4682 -14.4682 -14.4672 -14.4672 -13.0469 -13.0469 -13.0456 -13.0456 -13.0162 -13.0162 -13.0154 -13.0154 -3.9434 -3.9434 -1.8128 -1.8128 -0.8090 -0.8090 0.1477 0.1477 4.4460 4.4460 4.9420 4.9420 5.4644 5.4644 6.3125 6.3125 7.0189 7.0189 7.3993 7.3993 7.5112 7.5112 8.0464 8.0464 8.5757 8.5757 8.8223 8.8223 10.1268 10.1268 10.5028 10.5028 10.6888 10.6888 11.0619 11.0619 11.1813 11.1813 11.9131 11.9131 k = 0.0000 0.1757 0.2407 ( 4546 PWs) bands (ev): -33.4838 -33.4838 -33.4836 -33.4836 -14.4687 -14.4687 -14.4678 -14.4678 -13.0476 -13.0476 -13.0462 -13.0462 -13.0169 -13.0169 -13.0161 -13.0161 -3.9101 -3.9101 -1.7887 -1.7887 -0.8033 -0.8033 0.0566 0.0566 4.4704 4.4704 4.9874 4.9874 5.5142 5.5142 6.2230 6.2230 6.9975 6.9975 7.3750 7.3750 7.4875 7.4875 8.0119 8.0119 8.5268 8.5268 8.8378 8.8378 10.0399 10.0399 10.4355 10.4355 10.7563 10.7563 11.0194 11.0194 11.1438 11.1438 11.9482 11.9482 k = 0.0000 0.1892 0.2407 ( 4550 PWs) bands (ev): -33.4838 -33.4838 -33.4835 -33.4835 -14.4692 -14.4692 -14.4683 -14.4683 -13.0484 -13.0484 -13.0470 -13.0470 -13.0176 -13.0176 -13.0168 -13.0168 -3.8743 -3.8743 -1.7631 -1.7631 -0.7976 -0.7976 -0.0379 -0.0379 4.4968 4.4968 5.0348 5.0348 5.5658 5.5658 6.1346 6.1346 6.9691 6.9691 7.3483 7.3483 7.4610 7.4610 7.9840 7.9840 8.4752 8.4752 8.8542 8.8542 9.9475 9.9475 10.3668 10.3668 10.8247 10.8247 10.9813 10.9813 11.1174 11.1174 11.9811 11.9811 k = 0.0000 0.2027 0.2407 ( 4554 PWs) bands (ev): -33.4837 -33.4837 -33.4834 -33.4834 -14.4698 -14.4698 -14.4688 -14.4688 -13.0493 -13.0493 -13.0478 -13.0478 -13.0182 -13.0182 -13.0174 -13.0174 -3.8359 -3.8359 -1.7360 -1.7360 -0.7922 -0.7922 -0.1352 -0.1352 4.5252 4.5252 5.0840 5.0840 5.6187 5.6187 6.0480 6.0480 6.9330 6.9330 7.3196 7.3196 7.4311 7.4311 7.9648 7.9648 8.4238 8.4238 8.8673 8.8673 9.8504 9.8504 10.2968 10.2968 10.8937 10.8937 10.9516 10.9516 11.1003 11.1003 12.0115 12.0116 k = 0.0000 0.2162 0.2407 ( 4560 PWs) bands (ev): -33.4836 -33.4836 -33.4834 -33.4834 -14.4704 -14.4704 -14.4694 -14.4694 -13.0503 -13.0503 -13.0488 -13.0488 -13.0187 -13.0187 -13.0179 -13.0179 -3.7948 -3.7948 -1.7075 -1.7075 -0.7872 -0.7872 -0.2348 -0.2348 4.5554 4.5554 5.1350 5.1350 5.6723 5.6723 5.9639 5.9639 6.8896 6.8896 7.2887 7.2887 7.3983 7.3983 7.9544 7.9544 8.3745 8.3745 8.8744 8.8744 9.7495 9.7495 10.2264 10.2264 10.9301 10.9301 10.9660 10.9660 11.0907 11.0907 12.0396 12.0396 k = 0.0000 0.2297 0.2407 ( 4568 PWs) bands (ev): -33.4835 -33.4835 -33.4833 -33.4833 -14.4709 -14.4709 -14.4700 -14.4700 -13.0514 -13.0514 -13.0498 -13.0498 -13.0191 -13.0191 -13.0183 -13.0183 -3.7513 -3.7513 -1.6777 -1.6777 -0.7827 -0.7827 -0.3364 -0.3364 4.5875 4.5875 5.1876 5.1876 5.7258 5.7258 5.8829 5.8829 6.8401 6.8401 7.2547 7.2547 7.3643 7.3643 7.9514 7.9514 8.3292 8.3292 8.8734 8.8734 9.6459 9.6459 10.1567 10.1567 10.9228 10.9228 11.0365 11.0365 11.0874 11.0874 12.0653 12.0653 k = 0.0000 0.2432 0.2407 ( 4572 PWs) bands (ev): -33.4834 -33.4834 -33.4832 -33.4832 -14.4715 -14.4715 -14.4706 -14.4706 -13.0526 -13.0526 -13.0510 -13.0510 -13.0195 -13.0195 -13.0187 -13.0187 -3.7052 -3.7052 -1.6468 -1.6468 -0.7789 -0.7789 -0.4395 -0.4395 4.6212 4.6212 5.2418 5.2418 5.7780 5.7780 5.8060 5.8060 6.7864 6.7864 7.2160 7.2160 7.3315 7.3315 7.9528 7.9528 8.2900 8.2900 8.8629 8.8629 9.5406 9.5406 10.0891 10.0891 10.9265 10.9265 11.0869 11.0869 11.1111 11.1111 12.0888 12.0888 k = 0.0000 0.2568 0.2407 ( 4568 PWs) bands (ev): -33.4833 -33.4833 -33.4831 -33.4831 -14.4721 -14.4721 -14.4712 -14.4712 -13.0539 -13.0539 -13.0523 -13.0523 -13.0197 -13.0197 -13.0190 -13.0190 -3.6565 -3.6565 -1.6148 -1.6148 -0.7759 -0.7759 -0.5437 -0.5437 4.6564 4.6564 5.2970 5.2970 5.7322 5.7322 5.8295 5.8295 6.7311 6.7311 7.1715 7.1715 7.3015 7.3015 7.9543 7.9543 8.2598 8.2598 8.8417 8.8417 9.4347 9.4347 10.0253 10.0253 10.9412 10.9412 11.0943 11.0943 11.1837 11.1837 12.1103 12.1103 k = 0.0000 0.2703 0.2407 ( 4560 PWs) bands (ev): -33.4832 -33.4832 -33.4830 -33.4830 -14.4727 -14.4727 -14.4718 -14.4718 -13.0552 -13.0552 -13.0536 -13.0536 -13.0199 -13.0199 -13.0192 -13.0192 -3.6054 -3.6054 -1.5819 -1.5819 -0.7738 -0.7738 -0.6487 -0.6487 4.6930 4.6930 5.3524 5.3524 5.6648 5.6648 5.8763 5.8763 6.6773 6.6773 7.1216 7.1216 7.2748 7.2748 7.9510 7.9510 8.2417 8.2417 8.8096 8.8096 9.3289 9.3289 9.9665 9.9665 10.9661 10.9661 11.1050 11.1050 11.2581 11.2581 12.1291 12.1291 k = 0.0000 0.2838 0.2407 ( 4550 PWs) bands (ev): -33.4831 -33.4831 -33.4829 -33.4829 -14.4733 -14.4733 -14.4724 -14.4724 -13.0566 -13.0566 -13.0550 -13.0550 -13.0200 -13.0200 -13.0193 -13.0193 -3.5518 -3.5518 -1.5483 -1.5483 -0.7730 -0.7730 -0.7540 -0.7540 4.7308 4.7308 5.4050 5.4050 5.6061 5.6061 5.9170 5.9170 6.6285 6.6285 7.0676 7.0676 7.2508 7.2508 7.9395 7.9395 8.2373 8.2373 8.7672 8.7672 9.2238 9.2238 9.9133 9.9133 11.0002 11.0002 11.1197 11.1197 11.3336 11.3336 12.1318 12.1318 k = 0.0000 0.2973 0.2407 ( 4546 PWs) bands (ev): -33.4830 -33.4830 -33.4828 -33.4828 -14.4738 -14.4738 -14.4730 -14.4730 -13.0579 -13.0579 -13.0564 -13.0564 -13.0201 -13.0201 -13.0194 -13.0194 -3.4957 -3.4957 -1.5142 -1.5142 -0.8597 -0.8597 -0.7729 -0.7729 4.7696 4.7696 5.4423 5.4423 5.5688 5.5688 5.9487 5.9487 6.5889 6.5889 7.0112 7.0112 7.2287 7.2287 7.9195 7.9195 8.2447 8.2447 8.7166 8.7166 9.1201 9.1201 9.8657 9.8657 11.0425 11.0425 11.1383 11.1383 11.4099 11.4099 12.1272 12.1272 k = 0.0000 0.3108 0.2407 ( 4554 PWs) bands (ev): -33.4829 -33.4829 -33.4827 -33.4827 -14.4744 -14.4744 -14.4736 -14.4736 -13.0593 -13.0593 -13.0578 -13.0578 -13.0201 -13.0201 -13.0194 -13.0194 -3.4372 -3.4372 -1.4800 -1.4800 -0.9647 -0.9647 -0.7745 -0.7745 4.8090 4.8090 5.4344 5.4344 5.5825 5.5825 5.9678 5.9678 6.5626 6.5626 6.9541 6.9541 7.2077 7.2077 7.8933 7.8933 8.2579 8.2579 8.6615 8.6615 9.0185 9.0185 9.8231 9.8231 11.0917 11.0917 11.1607 11.1607 11.4868 11.4868 12.1241 12.1241 k = 0.0000 0.3243 0.2407 ( 4558 PWs) bands (ev): -33.4829 -33.4829 -33.4827 -33.4827 -14.4749 -14.4749 -14.4742 -14.4742 -13.0607 -13.0607 -13.0593 -13.0593 -13.0200 -13.0200 -13.0194 -13.0194 -3.3763 -3.3763 -1.4465 -1.4465 -1.0684 -1.0684 -0.7776 -0.7776 4.8487 4.8487 5.3967 5.3967 5.6320 5.6320 5.9720 5.9720 6.5519 6.5519 6.8983 6.8983 7.1873 7.1873 7.8635 7.8635 8.2679 8.2679 8.6084 8.6084 8.9201 8.9201 9.7842 9.7842 11.1455 11.1455 11.1883 11.1883 11.5641 11.5641 12.1237 12.1237 k = 0.0000 0.3378 0.2407 ( 4550 PWs) bands (ev): -33.4828 -33.4828 -33.4826 -33.4826 -14.4755 -14.4755 -14.4748 -14.4748 -13.0620 -13.0620 -13.0607 -13.0607 -13.0200 -13.0200 -13.0194 -13.0194 -3.3130 -3.3130 -1.4158 -1.4158 -1.1686 -1.1686 -0.7823 -0.7823 4.8884 4.8884 5.3549 5.3549 5.6910 5.6910 5.9618 5.9618 6.5553 6.5553 6.8472 6.8472 7.1670 7.1670 7.8325 7.8325 8.2629 8.2629 8.5658 8.5658 8.8283 8.8283 9.7477 9.7477 11.1960 11.1960 11.2276 11.2276 11.6416 11.6416 12.1264 12.1264 k = 0.0000 0.3514 0.2407 ( 4562 PWs) bands (ev): -33.4827 -33.4827 -33.4825 -33.4825 -14.4759 -14.4759 -14.4753 -14.4753 -13.0633 -13.0633 -13.0620 -13.0620 -13.0198 -13.0198 -13.0193 -13.0193 -3.2473 -3.2473 -1.3971 -1.3971 -1.2560 -1.2560 -0.7888 -0.7888 4.9272 4.9272 5.3158 5.3158 5.7515 5.7515 5.9411 5.9411 6.5655 6.5655 6.8070 6.8070 7.1464 7.1464 7.8017 7.8017 8.2328 8.2328 8.5353 8.5353 8.7515 8.7515 9.7123 9.7123 11.2342 11.2342 11.2867 11.2867 11.7190 11.7190 12.1321 12.1321 k = 0.0000 0.3649 0.2407 ( 4548 PWs) bands (ev): -33.4826 -33.4826 -33.4825 -33.4825 -14.4764 -14.4764 -14.4758 -14.4758 -13.0645 -13.0645 -13.0633 -13.0633 -13.0197 -13.0197 -13.0192 -13.0192 -3.1793 -3.1793 -1.4299 -1.4299 -1.2912 -1.2912 -0.7970 -0.7970 4.9647 4.9647 5.2811 5.2811 5.8084 5.8084 5.9174 5.9174 6.5689 6.5689 6.7888 6.7888 7.1249 7.1249 7.7718 7.7718 8.1792 8.1792 8.4975 8.4975 8.7089 8.7089 9.6766 9.6766 11.2693 11.2693 11.3550 11.3550 11.7961 11.7961 12.1367 12.1367 k = 0.0000 0.3784 0.2407 ( 4548 PWs) bands (ev): -33.4825 -33.4825 -33.4824 -33.4824 -14.4768 -14.4768 -14.4763 -14.4763 -13.0656 -13.0656 -13.0646 -13.0646 -13.0196 -13.0196 -13.0192 -13.0192 -3.1090 -3.1090 -1.5149 -1.5149 -1.2734 -1.2734 -0.8071 -0.8071 4.9997 4.9997 5.2516 5.2516 5.8422 5.8422 5.9127 5.9127 6.5547 6.5547 6.8017 6.8017 7.1022 7.1022 7.7435 7.7435 8.1115 8.1115 8.4331 8.4331 8.7117 8.7117 9.6397 9.6397 11.3055 11.3055 11.4271 11.4271 11.8724 11.8724 12.1220 12.1220 k = 0.0000 0.3919 0.2407 ( 4546 PWs) bands (ev): -33.4824 -33.4824 -33.4824 -33.4824 -14.4772 -14.4772 -14.4767 -14.4767 -13.0667 -13.0667 -13.0657 -13.0657 -13.0195 -13.0195 -13.0191 -13.0191 -3.0364 -3.0364 -1.6119 -1.6119 -1.2428 -1.2428 -0.8191 -0.8191 5.0311 5.0311 5.2275 5.2275 5.8315 5.8315 5.9495 5.9495 6.5281 6.5281 6.8402 6.8402 7.0777 7.0777 7.7169 7.7169 8.0381 8.0381 8.3515 8.3515 8.7437 8.7437 9.6010 9.6010 11.3436 11.3436 11.5009 11.5009 11.9475 11.9475 12.0867 12.0867 k = 0.0000 0.4054 0.2407 ( 4546 PWs) bands (ev): -33.4823 -33.4823 -33.4823 -33.4823 -14.4775 -14.4775 -14.4771 -14.4771 -13.0676 -13.0676 -13.0668 -13.0668 -13.0193 -13.0193 -13.0190 -13.0190 -2.9616 -2.9616 -1.7111 -1.7111 -1.2094 -1.2094 -0.8331 -0.8331 5.0579 5.0579 5.2088 5.2088 5.8112 5.8112 5.9922 5.9922 6.5019 6.5019 6.8932 6.8932 7.0513 7.0513 7.6917 7.6917 7.9648 7.9648 8.2645 8.2645 8.7896 8.7896 9.5598 9.5598 11.3835 11.3835 11.5750 11.5750 12.0209 12.0209 12.0452 12.0452 k = 0.0000 0.4189 0.2407 ( 4550 PWs) bands (ev): -33.4823 -33.4823 -33.4823 -33.4823 -14.4778 -14.4778 -14.4775 -14.4775 -13.0684 -13.0684 -13.0677 -13.0677 -13.0192 -13.0192 -13.0189 -13.0189 -2.8846 -2.8846 -1.8101 -1.8101 -1.1754 -1.1754 -0.8491 -0.8491 5.0791 5.0791 5.1953 5.1953 5.7957 5.7957 6.0233 6.0233 6.4870 6.4870 6.9508 6.9508 7.0252 7.0252 7.6668 7.6668 7.8961 7.8961 8.1774 8.1774 8.8426 8.8426 9.5159 9.5159 11.4252 11.4252 11.6477 11.6477 12.0005 12.0005 12.0928 12.0928 k = 0.0000 0.4324 0.2407 ( 4552 PWs) bands (ev): -33.4823 -33.4823 -33.4822 -33.4822 -14.4781 -14.4781 -14.4778 -14.4778 -13.0691 -13.0691 -13.0685 -13.0685 -13.0191 -13.0191 -13.0188 -13.0188 -2.8054 -2.8054 -1.9084 -1.9084 -1.1415 -1.1415 -0.8671 -0.8671 5.0948 5.0948 5.1858 5.1858 5.7889 5.7889 6.0354 6.0354 6.4911 6.4911 6.9699 6.9699 7.0384 7.0384 7.6398 7.6398 7.8366 7.8366 8.0931 8.0931 8.8995 8.8995 9.4693 9.4693 11.4686 11.4686 11.7175 11.7175 11.9555 11.9555 12.1613 12.1613 k = 0.0000 0.4459 0.2407 ( 4548 PWs) bands (ev): -33.4822 -33.4822 -33.4822 -33.4822 -14.4783 -14.4783 -14.4780 -14.4780 -13.0697 -13.0697 -13.0692 -13.0692 -13.0190 -13.0190 -13.0188 -13.0188 -2.7242 -2.7242 -2.0056 -2.0056 -1.1082 -1.1082 -0.8871 -0.8871 5.1063 5.1063 5.1782 5.1782 5.7922 5.7922 6.0272 6.0272 6.5162 6.5162 6.9360 6.9360 7.1027 7.1027 7.6065 7.6065 7.7917 7.7917 8.0139 8.0139 8.9586 8.9586 9.4198 9.4198 11.5133 11.5133 11.7812 11.7812 11.9123 11.9123 12.1746 12.1746 k = 0.0000 0.4595 0.2407 ( 4556 PWs) bands (ev): -33.4822 -33.4822 -33.4822 -33.4822 -14.4784 -14.4784 -14.4782 -14.4782 -13.0701 -13.0701 -13.0698 -13.0698 -13.0189 -13.0189 -13.0187 -13.0187 -2.6409 -2.6409 -2.1013 -2.1013 -1.0757 -1.0757 -0.9090 -0.9090 5.1155 5.1155 5.1708 5.1708 5.8058 5.8058 6.0032 6.0032 6.5582 6.5582 6.8916 6.8916 7.1736 7.1736 7.5634 7.5634 7.7658 7.7658 7.9420 7.9420 9.0188 9.0188 9.3678 9.3678 11.5593 11.5593 11.8196 11.8196 11.8898 11.8898 12.1463 12.1463 k = 0.0000 0.4730 0.2407 ( 4552 PWs) bands (ev): -33.4822 -33.4822 -33.4822 -33.4822 -14.4785 -14.4785 -14.4784 -14.4784 -13.0704 -13.0704 -13.0702 -13.0702 -13.0188 -13.0188 -13.0187 -13.0187 -2.5556 -2.5556 -2.1956 -2.1956 -1.0443 -1.0443 -0.9327 -0.9327 5.1243 5.1243 5.1625 5.1625 5.8284 5.8284 5.9696 5.9696 6.6108 6.6108 6.8413 6.8413 7.2456 7.2456 7.5107 7.5107 7.7586 7.7586 7.8797 7.8797 9.0793 9.0793 9.3134 9.3134 11.6062 11.6062 11.7941 11.7941 11.9265 11.9265 12.1120 12.1120 k = 0.0000 0.4865 0.2407 ( 4540 PWs) bands (ev): -33.4821 -33.4821 -33.4821 -33.4821 -14.4786 -14.4786 -14.4785 -14.4785 -13.0706 -13.0706 -13.0705 -13.0705 -13.0187 -13.0187 -13.0187 -13.0187 -2.4683 -2.4683 -2.2883 -2.2883 -1.0142 -1.0142 -0.9582 -0.9582 5.1334 5.1334 5.1530 5.1530 5.8585 5.8585 5.9318 5.9318 6.6687 6.6687 6.7863 6.7863 7.3168 7.3168 7.4508 7.4508 7.7676 7.7676 7.8290 7.8290 9.1395 9.1395 9.2570 9.2570 11.6539 11.6539 11.7493 11.7493 11.9778 11.9778 12.0720 12.0720 k = 0.0000 0.5000 0.2407 ( 4544 PWs) bands (ev): -33.4821 -33.4821 -33.4821 -33.4821 -14.4786 -14.4786 -14.4786 -14.4786 -13.0706 -13.0706 -13.0706 -13.0706 -13.0187 -13.0187 -13.0187 -13.0187 -2.3792 -2.3792 -2.3792 -2.3792 -0.9854 -0.9854 -0.9854 -0.9854 5.1431 5.1431 5.1431 5.1431 5.8938 5.8938 5.8938 5.8938 6.7281 6.7281 6.7281 6.7281 7.3856 7.3856 7.3856 7.3856 7.7914 7.7914 7.7914 7.7914 9.1989 9.1989 9.1989 9.1989 11.7018 11.7018 11.7018 11.7018 12.0270 12.0270 12.0270 12.0270 k = 0.0000 0.5000 0.2407 ( 4544 PWs) bands (ev): -33.4821 -33.4821 -33.4821 -33.4821 -14.4786 -14.4786 -14.4786 -14.4786 -13.0706 -13.0706 -13.0706 -13.0706 -13.0187 -13.0187 -13.0187 -13.0187 -2.3792 -2.3792 -2.3792 -2.3792 -0.9854 -0.9854 -0.9854 -0.9854 5.1431 5.1431 5.1431 5.1431 5.8938 5.8938 5.8938 5.8938 6.7281 6.7281 6.7281 6.7281 7.3856 7.3856 7.3856 7.3856 7.7914 7.7914 7.7914 7.7914 9.1989 9.1989 9.1989 9.1989 11.7018 11.7018 11.7018 11.7018 12.0270 12.0270 12.0270 12.0270 k = 0.0135 0.5000 0.2407 ( 4548 PWs) bands (ev): -33.4821 -33.4821 -33.4821 -33.4821 -14.4786 -14.4786 -14.4786 -14.4786 -13.0706 -13.0706 -13.0706 -13.0706 -13.0189 -13.0189 -13.0187 -13.0187 -2.3785 -2.3785 -2.3781 -2.3781 -0.9853 -0.9853 -0.9853 -0.9853 5.1425 5.1425 5.1455 5.1455 5.8715 5.8715 5.9111 5.9111 6.6731 6.6731 6.7366 6.7366 7.3720 7.3720 7.4171 7.4171 7.7571 7.7571 7.8542 7.8542 9.1833 9.1833 9.2168 9.2168 11.6857 11.6857 11.7038 11.7038 12.0240 12.0240 12.0417 12.0417 k = 0.0270 0.5000 0.2407 ( 4544 PWs) bands (ev): -33.4821 -33.4821 -33.4821 -33.4821 -14.4787 -14.4787 -14.4786 -14.4786 -13.0705 -13.0705 -13.0705 -13.0705 -13.0191 -13.0191 -13.0189 -13.0189 -2.3761 -2.3761 -2.3753 -2.3753 -0.9850 -0.9850 -0.9850 -0.9850 5.1434 5.1434 5.1496 5.1496 5.8432 5.8432 5.9240 5.9240 6.5825 6.5825 6.7022 6.7022 7.3701 7.3701 7.4558 7.4558 7.7590 7.7590 7.9403 7.9403 9.1705 9.1705 9.2374 9.2374 11.6595 11.6595 11.6910 11.6910 12.0338 12.0338 12.0639 12.0639 k = 0.0405 0.5000 0.2407 ( 4544 PWs) bands (ev): -33.4821 -33.4821 -33.4821 -33.4821 -14.4788 -14.4788 -14.4786 -14.4786 -13.0704 -13.0704 -13.0704 -13.0704 -13.0196 -13.0196 -13.0192 -13.0192 -2.3719 -2.3719 -2.3707 -2.3707 -0.9845 -0.9845 -0.9844 -0.9844 5.1457 5.1457 5.1556 5.1556 5.8072 5.8072 5.9322 5.9322 6.4718 6.4718 6.6402 6.6402 7.3703 7.3703 7.4806 7.4806 7.8036 7.8036 8.0432 8.0432 9.1614 9.1614 9.2616 9.2616 11.6278 11.6278 11.6671 11.6671 12.0537 12.0537 12.0894 12.0894 k = 0.0541 0.5000 0.2407 ( 4544 PWs) bands (ev): -33.4821 -33.4821 -33.4821 -33.4821 -14.4790 -14.4790 -14.4787 -14.4787 -13.0703 -13.0703 -13.0702 -13.0702 -13.0202 -13.0202 -13.0196 -13.0196 -2.3660 -2.3660 -2.3645 -2.3645 -0.9838 -0.9838 -0.9837 -0.9837 5.1489 5.1489 5.1633 5.1633 5.7613 5.7613 5.9335 5.9335 6.3540 6.3540 6.5663 6.5663 7.3676 7.3676 7.4852 7.4852 7.8823 7.8823 8.1554 8.1554 9.1584 9.1584 9.2909 9.2909 11.5942 11.5942 11.6371 11.6371 12.0797 12.0797 12.1160 12.1160 k = 0.0676 0.5000 0.2407 ( 4536 PWs) bands (ev): -33.4820 -33.4820 -33.4820 -33.4820 -14.4791 -14.4791 -14.4788 -14.4788 -13.0701 -13.0701 -13.0700 -13.0700 -13.0209 -13.0209 -13.0202 -13.0202 -2.3584 -2.3584 -2.3565 -2.3565 -0.9828 -0.9828 -0.9827 -0.9827 5.1524 5.1524 5.1725 5.1725 5.7034 5.7034 5.9220 5.9220 6.2422 6.2422 6.4918 6.4918 7.3605 7.3605 7.4772 7.4772 7.9764 7.9764 8.2682 8.2682 9.1654 9.1654 9.3276 9.3276 11.5610 11.5610 11.6049 11.6049 12.1089 12.1089 12.1425 12.1425 k = 0.0811 0.5000 0.2407 ( 4544 PWs) bands (ev): -33.4820 -33.4820 -33.4820 -33.4820 -14.4794 -14.4794 -14.4790 -14.4790 -13.0698 -13.0698 -13.0698 -13.0698 -13.0217 -13.0217 -13.0209 -13.0209 -2.3492 -2.3492 -2.3468 -2.3468 -0.9817 -0.9817 -0.9816 -0.9816 5.1552 5.1552 5.1831 5.1831 5.6324 5.6324 5.8844 5.8844 6.1546 6.1546 6.4238 6.4238 7.3490 7.3490 7.4629 7.4629 8.0712 8.0712 8.3723 8.3723 9.1882 9.1882 9.3744 9.3744 11.5297 11.5297 11.5733 11.5733 12.1396 12.1396 12.1688 12.1688 k = 0.0946 0.5000 0.2407 ( 4556 PWs) bands (ev): -33.4820 -33.4820 -33.4820 -33.4820 -14.4796 -14.4796 -14.4792 -14.4792 -13.0696 -13.0696 -13.0695 -13.0695 -13.0227 -13.0227 -13.0217 -13.0217 -2.3382 -2.3382 -2.3356 -2.3356 -0.9804 -0.9804 -0.9802 -0.9802 5.1555 5.1555 5.1944 5.1944 5.5485 5.5485 5.8097 5.8097 6.1062 6.1062 6.3661 6.3661 7.3337 7.3337 7.4454 7.4454 8.1576 8.1576 8.4577 8.4577 9.2343 9.2343 9.4341 9.4341 11.5016 11.5016 11.5441 11.5441 12.1708 12.1709 12.1951 12.1951 k = 0.1081 0.5000 0.2407 ( 4552 PWs) bands (ev): -33.4819 -33.4819 -33.4819 -33.4819 -14.4799 -14.4799 -14.4794 -14.4794 -13.0693 -13.0693 -13.0692 -13.0692 -13.0237 -13.0237 -13.0227 -13.0227 -2.3257 -2.3257 -2.3227 -2.3227 -0.9790 -0.9790 -0.9788 -0.9788 5.1503 5.1503 5.2050 5.2050 5.4543 5.4543 5.7109 5.7109 6.0882 6.0882 6.3194 6.3194 7.3154 7.3154 7.4265 7.4265 8.2296 8.2296 8.5168 8.5168 9.3092 9.3092 9.5094 9.5094 11.4772 11.4772 11.5186 11.5186 12.2021 12.2021 12.2212 12.2212 k = 0.1216 0.5000 0.2407 ( 4556 PWs) bands (ev): -33.4818 -33.4818 -33.4818 -33.4818 -14.4801 -14.4801 -14.4797 -14.4797 -13.0690 -13.0690 -13.0689 -13.0689 -13.0249 -13.0249 -13.0237 -13.0237 -2.3116 -2.3116 -2.3083 -2.3083 -0.9774 -0.9774 -0.9772 -0.9772 5.1340 5.1340 5.2087 5.2087 5.3581 5.3581 5.6106 5.6106 6.0850 6.0850 6.2830 6.2830 7.2947 7.2947 7.4068 7.4068 8.2842 8.2842 8.5479 8.5479 9.4134 9.4134 9.6013 9.6013 11.4570 11.4570 11.4972 11.4972 12.2330 12.2330 12.2473 12.2473 k = 0.1351 0.5000 0.2407 ( 4564 PWs) bands (ev): -33.4818 -33.4818 -33.4818 -33.4818 -14.4805 -14.4805 -14.4799 -14.4799 -13.0686 -13.0686 -13.0685 -13.0685 -13.0262 -13.0262 -13.0249 -13.0249 -2.2960 -2.2960 -2.2924 -2.2924 -0.9757 -0.9757 -0.9754 -0.9754 5.0979 5.0979 5.1745 5.1745 5.2936 5.2936 5.5259 5.5259 6.0885 6.0885 6.2553 6.2553 7.2725 7.2725 7.3872 7.3872 8.3205 8.3205 8.5554 8.5554 9.5417 9.5417 9.7096 9.7096 11.4412 11.4412 11.4804 11.4804 12.2631 12.2631 12.2732 12.2732 k = 0.1486 0.5000 0.2407 ( 4556 PWs) bands (ev): -33.4817 -33.4817 -33.4817 -33.4817 -14.4808 -14.4808 -14.4802 -14.4802 -13.0682 -13.0682 -13.0681 -13.0681 -13.0275 -13.0275 -13.0261 -13.0261 -2.2790 -2.2790 -2.2750 -2.2750 -0.9739 -0.9739 -0.9736 -0.9736 5.0344 5.0344 5.0781 5.0781 5.2871 5.2871 5.4683 5.4683 6.0954 6.0954 6.2344 6.2344 7.2494 7.2494 7.3682 7.3682 8.3396 8.3396 8.5454 8.5454 9.6869 9.6869 9.8325 9.8325 11.4299 11.4299 11.4684 11.4684 12.2921 12.2921 12.2984 12.2984 k = 0.1622 0.5000 0.2407 ( 4552 PWs) bands (ev): -33.4816 -33.4816 -33.4816 -33.4816 -14.4811 -14.4811 -14.4805 -14.4805 -13.0678 -13.0678 -13.0677 -13.0677 -13.0289 -13.0289 -13.0274 -13.0274 -2.2606 -2.2606 -2.2564 -2.2564 -0.9720 -0.9720 -0.9717 -0.9717 4.9444 4.9444 4.9611 4.9611 5.2988 5.2988 5.4382 5.4382 6.1042 6.1042 6.2192 6.2192 7.2261 7.2261 7.3501 7.3501 8.3435 8.3435 8.5231 8.5231 9.8434 9.8434 9.9673 9.9673 11.4232 11.4232 11.4612 11.4612 12.3195 12.3195 12.3226 12.3226 k = 0.1757 0.5000 0.2407 ( 4560 PWs) bands (ev): -33.4815 -33.4815 -33.4815 -33.4815 -14.4815 -14.4815 -14.4809 -14.4809 -13.0675 -13.0675 -13.0673 -13.0673 -13.0304 -13.0304 -13.0288 -13.0288 -2.2409 -2.2409 -2.2364 -2.2364 -0.9700 -0.9700 -0.9697 -0.9697 4.8368 4.8368 4.8388 4.8388 5.3148 5.3148 5.4277 5.4277 6.1144 6.1144 6.2083 6.2083 7.2032 7.2032 7.3335 7.3335 8.3347 8.3347 8.4924 8.4924 10.0068 10.0068 10.1111 10.1111 11.4208 11.4208 11.4587 11.4587 12.3449 12.3449 12.3453 12.3453 k = 0.1892 0.5000 0.2407 ( 4556 PWs) bands (ev): -33.4814 -33.4814 -33.4814 -33.4814 -14.4819 -14.4819 -14.4813 -14.4813 -13.0671 -13.0671 -13.0669 -13.0669 -13.0319 -13.0319 -13.0303 -13.0303 -2.2200 -2.2200 -2.2153 -2.2153 -0.9681 -0.9681 -0.9677 -0.9677 4.7152 4.7152 4.7203 4.7203 5.3322 5.3322 5.4286 5.4286 6.1256 6.1256 6.2012 6.2012 7.1813 7.1813 7.3188 7.3188 8.3157 8.3157 8.4557 8.4557 10.1740 10.1740 10.2612 10.2612 11.4227 11.4227 11.4607 11.4607 12.3660 12.3660 12.3676 12.3676 k = 0.2027 0.5000 0.2407 ( 4552 PWs) bands (ev): -33.4813 -33.4813 -33.4813 -33.4813 -14.4823 -14.4823 -14.4816 -14.4816 -13.0667 -13.0667 -13.0664 -13.0664 -13.0334 -13.0334 -13.0317 -13.0317 -2.1980 -2.1980 -2.1931 -2.1931 -0.9661 -0.9661 -0.9657 -0.9657 4.5919 4.5919 4.6000 4.6000 5.3497 5.3497 5.4356 5.4356 6.1377 6.1377 6.1972 6.1972 7.1611 7.1611 7.3062 7.3062 8.2885 8.2885 8.4149 8.4149 10.3428 10.3428 10.4151 10.4151 11.4288 11.4288 11.4671 11.4671 12.3840 12.3840 12.3872 12.3872 k = 0.2162 0.5000 0.2407 ( 4548 PWs) bands (ev): -33.4812 -33.4812 -33.4812 -33.4812 -14.4827 -14.4827 -14.4820 -14.4820 -13.0663 -13.0663 -13.0660 -13.0660 -13.0350 -13.0350 -13.0332 -13.0332 -2.1750 -2.1750 -2.1699 -2.1699 -0.9642 -0.9642 -0.9638 -0.9638 4.4700 4.4700 4.4791 4.4791 5.3668 5.3668 5.4457 5.4457 6.1506 6.1506 6.1961 6.1961 7.1429 7.1429 7.2961 7.2961 8.2548 8.2548 8.3711 8.3711 10.5113 10.5113 10.5705 10.5705 11.4387 11.4387 11.4777 11.4777 12.3986 12.3986 12.4029 12.4029 k = 0.2297 0.5000 0.2407 ( 4548 PWs) bands (ev): -33.4811 -33.4811 -33.4811 -33.4811 -14.4831 -14.4831 -14.4824 -14.4824 -13.0660 -13.0660 -13.0657 -13.0657 -13.0365 -13.0365 -13.0347 -13.0347 -2.1511 -2.1511 -2.1459 -2.1459 -0.9623 -0.9623 -0.9619 -0.9619 4.3504 4.3504 4.3593 4.3593 5.3830 5.3830 5.4572 5.4572 6.1642 6.1642 6.1975 6.1975 7.1272 7.1272 7.2886 7.2886 8.2161 8.2161 8.3254 8.3254 10.6779 10.6779 10.7254 10.7254 11.4525 11.4525 11.4925 11.4925 12.4090 12.4090 12.4140 12.4140 k = 0.2432 0.5000 0.2407 ( 4560 PWs) bands (ev): -33.4811 -33.4811 -33.4811 -33.4811 -14.4836 -14.4836 -14.4829 -14.4829 -13.0656 -13.0656 -13.0653 -13.0653 -13.0380 -13.0380 -13.0361 -13.0361 -2.1264 -2.1264 -2.1212 -2.1212 -0.9605 -0.9605 -0.9601 -0.9601 4.2335 4.2335 4.2418 4.2418 5.3980 5.3980 5.4688 5.4688 6.1786 6.1786 6.2014 6.2014 7.1145 7.1145 7.2840 7.2840 8.1737 8.1737 8.2784 8.2784 10.8409 10.8409 10.8776 10.8776 11.4702 11.4702 11.5113 11.5113 12.4141 12.4141 12.4195 12.4195 k = 0.2568 0.5000 0.2407 ( 4556 PWs) bands (ev): -33.4810 -33.4810 -33.4810 -33.4810 -14.4840 -14.4840 -14.4833 -14.4833 -13.0654 -13.0654 -13.0650 -13.0650 -13.0394 -13.0394 -13.0375 -13.0375 -2.1012 -2.1012 -2.0959 -2.0959 -0.9588 -0.9588 -0.9583 -0.9583 4.1199 4.1199 4.1274 4.1274 5.4114 5.4114 5.4797 5.4797 6.1938 6.1938 6.2077 6.2077 7.1049 7.1049 7.2823 7.2823 8.1285 8.1285 8.2309 8.2309 10.9981 10.9981 11.0249 11.0249 11.4921 11.4921 11.5347 11.5347 12.4130 12.4130 12.4185 12.4185 k = 0.2703 0.5000 0.2407 ( 4568 PWs) bands (ev): -33.4809 -33.4809 -33.4809 -33.4809 -14.4844 -14.4844 -14.4837 -14.4837 -13.0651 -13.0651 -13.0648 -13.0648 -13.0408 -13.0408 -13.0389 -13.0389 -2.0755 -2.0755 -2.0701 -2.0701 -0.9572 -0.9572 -0.9568 -0.9568 4.0101 4.0101 4.0166 4.0166 5.4231 5.4231 5.4894 5.4894 6.2098 6.2098 6.2163 6.2163 7.0985 7.0985 7.2834 7.2834 8.0814 8.0814 8.1834 8.1834 11.1466 11.1466 11.1640 11.1640 11.5193 11.5193 11.5635 11.5635 12.4047 12.4047 12.4103 12.4103 k = 0.2838 0.5000 0.2407 ( 4564 PWs) bands (ev): -33.4808 -33.4808 -33.4808 -33.4808 -14.4848 -14.4848 -14.4841 -14.4841 -13.0650 -13.0650 -13.0646 -13.0646 -13.0421 -13.0421 -13.0402 -13.0402 -2.0495 -2.0495 -2.0441 -2.0441 -0.9558 -0.9558 -0.9553 -0.9553 3.9043 3.9043 3.9099 3.9099 5.4328 5.4328 5.4975 5.4975 6.2265 6.2265 6.2270 6.2270 7.0955 7.0955 7.2874 7.2874 8.0332 8.0332 8.1363 8.1363 11.2812 11.2812 11.2905 11.2905 11.5553 11.5553 11.6006 11.6006 12.3887 12.3887 12.3943 12.3943 k = 0.2973 0.5000 0.2407 ( 4564 PWs) bands (ev): -33.4807 -33.4807 -33.4807 -33.4807 -14.4852 -14.4852 -14.4846 -14.4846 -13.0649 -13.0649 -13.0645 -13.0645 -13.0433 -13.0433 -13.0414 -13.0414 -2.0234 -2.0234 -2.0181 -2.0181 -0.9546 -0.9546 -0.9541 -0.9541 3.8029 3.8029 3.8077 3.8077 5.4407 5.4407 5.5037 5.5037 6.2398 6.2398 6.2441 6.2441 7.0957 7.0957 7.2939 7.2939 7.9847 7.9847 8.0901 8.0901 11.3920 11.3920 11.3971 11.3971 11.6075 11.6075 11.6507 11.6507 12.3653 12.3653 12.3711 12.3711 k = 0.3108 0.5000 0.2407 ( 4564 PWs) bands (ev): -33.4806 -33.4806 -33.4806 -33.4806 -14.4856 -14.4856 -14.4850 -14.4850 -13.0648 -13.0648 -13.0645 -13.0645 -13.0443 -13.0443 -13.0425 -13.0425 -1.9973 -1.9973 -1.9921 -1.9921 -0.9535 -0.9535 -0.9531 -0.9531 3.7063 3.7063 3.7103 3.7103 5.4467 5.4467 5.5079 5.5079 6.2543 6.2543 6.2623 6.2623 7.0989 7.0989 7.3026 7.3026 7.9363 7.9363 8.0453 8.0453 11.4687 11.4687 11.4764 11.4764 11.6840 11.6840 11.7187 11.7187 12.3362 12.3362 12.3422 12.3422 k = 0.3243 0.5000 0.2407 ( 4568 PWs) bands (ev): -33.4805 -33.4805 -33.4805 -33.4805 -14.4860 -14.4860 -14.4854 -14.4854 -13.0649 -13.0649 -13.0646 -13.0646 -13.0452 -13.0452 -13.0435 -13.0435 -1.9715 -1.9715 -1.9665 -1.9665 -0.9527 -0.9527 -0.9522 -0.9522 3.6148 3.6148 3.6180 3.6180 5.4510 5.4510 5.5101 5.5101 6.2704 6.2704 6.2812 6.2812 7.1048 7.1048 7.3131 7.3131 7.8890 7.8890 8.0022 8.0022 11.5159 11.5159 11.5293 11.5293 11.7773 11.7773 11.8009 11.8009 12.3043 12.3043 12.3108 12.3108 k = 0.3378 0.5000 0.2407 ( 4556 PWs) bands (ev): -33.4804 -33.4804 -33.4804 -33.4804 -14.4864 -14.4864 -14.4858 -14.4858 -13.0651 -13.0651 -13.0647 -13.0647 -13.0460 -13.0460 -13.0444 -13.0444 -1.9463 -1.9463 -1.9413 -1.9413 -0.9521 -0.9521 -0.9516 -0.9516 3.5286 3.5286 3.5312 3.5312 5.4537 5.4537 5.5105 5.5105 6.2878 6.2878 6.3005 6.3005 7.1131 7.1131 7.3248 7.3248 7.8433 7.8433 7.9612 7.9612 11.5461 11.5461 11.5636 11.5636 11.8708 11.8708 11.8856 11.8856 12.2746 12.2746 12.2818 12.2818 k = 0.3514 0.5000 0.2407 ( 4564 PWs) bands (ev): -33.4804 -33.4804 -33.4804 -33.4804 -14.4867 -14.4867 -14.4862 -14.4862 -13.0653 -13.0653 -13.0650 -13.0650 -13.0466 -13.0466 -13.0451 -13.0451 -1.9217 -1.9217 -1.9170 -1.9170 -0.9516 -0.9516 -0.9512 -0.9512 3.4481 3.4481 3.4501 3.4501 5.4552 5.4552 5.5091 5.5091 6.3061 6.3061 6.3201 6.3201 7.1231 7.1231 7.3369 7.3369 7.8000 7.8000 7.9226 7.9226 11.5657 11.5657 11.5848 11.5848 11.9527 11.9527 11.9623 11.9623 12.2539 12.2540 12.2616 12.2616 k = 0.3649 0.5000 0.2407 ( 4580 PWs) bands (ev): -33.4803 -33.4803 -33.4803 -33.4803 -14.4871 -14.4871 -14.4865 -14.4865 -13.0656 -13.0656 -13.0654 -13.0654 -13.0471 -13.0471 -13.0457 -13.0457 -1.8981 -1.8981 -1.8936 -1.8936 -0.9514 -0.9514 -0.9510 -0.9510 3.3734 3.3734 3.3750 3.3750 5.4556 5.4556 5.5063 5.5063 6.3249 6.3249 6.3396 6.3396 7.1345 7.1345 7.3483 7.3483 7.7603 7.7603 7.8868 7.8868 11.5760 11.5760 11.5950 11.5950 12.0143 12.0143 12.0225 12.0225 12.2515 12.2515 12.2583 12.2583 k = 0.3784 0.5000 0.2407 ( 4584 PWs) bands (ev): -33.4803 -33.4803 -33.4803 -33.4803 -14.4874 -14.4874 -14.4869 -14.4869 -13.0659 -13.0659 -13.0657 -13.0657 -13.0475 -13.0475 -13.0462 -13.0462 -1.8757 -1.8757 -1.8715 -1.8715 -0.9514 -0.9514 -0.9509 -0.9509 3.3050 3.3050 3.3061 3.3061 5.4553 5.4553 5.5023 5.5023 6.3440 6.3440 6.3589 6.3589 7.1467 7.1467 7.3578 7.3578 7.7250 7.7250 7.8540 7.8540 11.5773 11.5773 11.5946 11.5946 12.0514 12.0514 12.0623 12.0623 12.2729 12.2729 12.2769 12.2769 k = 0.3919 0.5000 0.2407 ( 4596 PWs) bands (ev): -33.4802 -33.4802 -33.4802 -33.4802 -14.4876 -14.4876 -14.4872 -14.4872 -13.0663 -13.0663 -13.0662 -13.0662 -13.0477 -13.0477 -13.0466 -13.0466 -1.8548 -1.8548 -1.8509 -1.8509 -0.9515 -0.9515 -0.9511 -0.9511 3.2429 3.2429 3.2437 3.2437 5.4545 5.4545 5.4974 5.4974 6.3629 6.3629 6.3775 6.3775 7.1594 7.1594 7.3640 7.3640 7.6957 7.6957 7.8244 7.8244 11.5696 11.5696 11.5846 11.5846 12.0724 12.0724 12.0877 12.0877 12.3113 12.3113 12.3122 12.3122 k = 0.4054 0.5000 0.2407 ( 4600 PWs) bands (ev): -33.4802 -33.4802 -33.4802 -33.4802 -14.4879 -14.4879 -14.4875 -14.4875 -13.0667 -13.0667 -13.0666 -13.0666 -13.0479 -13.0479 -13.0469 -13.0469 -1.8355 -1.8355 -1.8320 -1.8320 -0.9517 -0.9517 -0.9514 -0.9514 3.1875 3.1875 3.1881 3.1881 5.4536 5.4536 5.4920 5.4920 6.3811 6.3811 6.3952 6.3952 7.1721 7.1721 7.3654 7.3654 7.6735 7.6735 7.7980 7.7980 11.5546 11.5546 11.5670 11.5670 12.0897 12.0897 12.1092 12.1092 12.3532 12.3532 12.3546 12.3546 k = 0.4189 0.5000 0.2407 ( 4600 PWs) bands (ev): -33.4801 -33.4801 -33.4801 -33.4801 -14.4881 -14.4881 -14.4877 -14.4877 -13.0671 -13.0671 -13.0670 -13.0670 -13.0480 -13.0480 -13.0472 -13.0472 -1.8181 -1.8181 -1.8151 -1.8151 -0.9521 -0.9521 -0.9517 -0.9517 3.1390 3.1390 3.1394 3.1394 5.4526 5.4526 5.4862 5.4862 6.3984 6.3984 6.4114 6.4114 7.1847 7.1847 7.3612 7.3612 7.6593 7.6593 7.7748 7.7748 11.5346 11.5346 11.5445 11.5445 12.1095 12.1095 12.1323 12.1323 12.3929 12.3929 12.3954 12.3954 k = 0.4324 0.5000 0.2407 ( 4600 PWs) bands (ev): -33.4801 -33.4801 -33.4801 -33.4801 -14.4883 -14.4883 -14.4880 -14.4880 -13.0674 -13.0674 -13.0674 -13.0674 -13.0480 -13.0480 -13.0474 -13.0474 -1.8030 -1.8030 -1.8004 -1.8004 -0.9525 -0.9525 -0.9522 -0.9522 3.0976 3.0976 3.0978 3.0978 5.4520 5.4520 5.4804 5.4804 6.4142 6.4142 6.4258 6.4258 7.1973 7.1973 7.3514 7.3514 7.6526 7.6526 7.7546 7.7546 11.5125 11.5125 11.5202 11.5202 12.1334 12.1334 12.1584 12.1584 12.4276 12.4276 12.4307 12.4307 k = 0.4459 0.5000 0.2407 ( 4604 PWs) bands (ev): -33.4800 -33.4800 -33.4800 -33.4800 -14.4884 -14.4884 -14.4882 -14.4882 -13.0678 -13.0678 -13.0677 -13.0677 -13.0480 -13.0480 -13.0475 -13.0475 -1.7902 -1.7902 -1.7880 -1.7880 -0.9528 -0.9528 -0.9526 -0.9526 3.0634 3.0634 3.0636 3.0636 5.4517 5.4517 5.4748 5.4748 6.4282 6.4282 6.4381 6.4381 7.2099 7.2099 7.3372 7.3372 7.6523 7.6523 7.7369 7.7369 11.4910 11.4910 11.4968 11.4968 12.1605 12.1605 12.1865 12.1865 12.4559 12.4559 12.4595 12.4595 k = 0.4595 0.5000 0.2407 ( 4604 PWs) bands (ev): -33.4800 -33.4800 -33.4800 -33.4800 -14.4885 -14.4885 -14.4883 -14.4883 -13.0680 -13.0680 -13.0680 -13.0680 -13.0480 -13.0480 -13.0476 -13.0476 -1.7799 -1.7799 -1.7783 -1.7783 -0.9532 -0.9532 -0.9530 -0.9530 3.0367 3.0367 3.0368 3.0368 5.4521 5.4521 5.4695 5.4695 6.4399 6.4399 6.4477 6.4477 7.2228 7.2228 7.3203 7.3203 7.6567 7.6567 7.7215 7.7215 11.4723 11.4723 11.4765 11.4765 12.1892 12.1892 12.2144 12.2144 12.4756 12.4756 12.4810 12.4810 k = 0.4730 0.5000 0.2407 ( 4592 PWs) bands (ev): -33.4800 -33.4800 -33.4800 -33.4800 -14.4886 -14.4886 -14.4885 -14.4885 -13.0682 -13.0682 -13.0682 -13.0682 -13.0480 -13.0480 -13.0477 -13.0477 -1.7724 -1.7724 -1.7713 -1.7713 -0.9534 -0.9534 -0.9533 -0.9533 3.0175 3.0175 3.0175 3.0175 5.4531 5.4531 5.4648 5.4648 6.4490 6.4490 6.4544 6.4544 7.2365 7.2365 7.3022 7.3022 7.6641 7.6641 7.7078 7.7078 11.4581 11.4581 11.4607 11.4607 12.2172 12.2172 12.2387 12.2387 12.4741 12.4741 12.4918 12.4918 k = 0.4865 0.5000 0.2407 ( 4584 PWs) bands (ev): -33.4799 -33.4799 -33.4799 -33.4799 -14.4886 -14.4886 -14.4885 -14.4885 -13.0683 -13.0683 -13.0683 -13.0683 -13.0479 -13.0479 -13.0478 -13.0478 -1.7678 -1.7678 -1.7672 -1.7672 -0.9536 -0.9536 -0.9535 -0.9535 3.0060 3.0060 3.0060 3.0060 5.4549 5.4549 5.4607 5.4607 6.4552 6.4552 6.4579 6.4579 7.2512 7.2512 7.2842 7.2842 7.6734 7.6734 7.6954 7.6954 11.4494 11.4494 11.4507 11.4507 12.2409 12.2409 12.2541 12.2541 12.4621 12.4621 12.4773 12.4773 k = 0.5000 0.5000 0.2407 ( 4584 PWs) bands (ev): -33.4799 -33.4799 -33.4799 -33.4799 -14.4886 -14.4886 -14.4886 -14.4886 -13.0684 -13.0684 -13.0684 -13.0684 -13.0479 -13.0479 -13.0479 -13.0479 -1.7660 -1.7660 -1.7660 -1.7660 -0.9536 -0.9536 -0.9536 -0.9536 3.0021 3.0021 3.0021 3.0021 5.4574 5.4574 5.4574 5.4574 6.4582 6.4582 6.4582 6.4582 7.2671 7.2671 7.2671 7.2671 7.6839 7.6839 7.6839 7.6839 11.4468 11.4468 11.4468 11.4468 12.2549 12.2549 12.2549 12.2549 12.4626 12.4626 12.4626 12.4626 k = 0.5000 0.5000 0.2407 ( 4584 PWs) bands (ev): -33.4799 -33.4799 -33.4799 -33.4799 -14.4886 -14.4886 -14.4886 -14.4886 -13.0684 -13.0684 -13.0684 -13.0684 -13.0479 -13.0479 -13.0479 -13.0479 -1.7660 -1.7660 -1.7660 -1.7660 -0.9536 -0.9536 -0.9536 -0.9536 3.0021 3.0021 3.0021 3.0021 5.4574 5.4574 5.4574 5.4574 6.4582 6.4582 6.4582 6.4582 7.2671 7.2671 7.2671 7.2671 7.6839 7.6839 7.6839 7.6839 11.4468 11.4468 11.4468 11.4468 12.2549 12.2549 12.2549 12.2549 12.4626 12.4626 12.4626 12.4626 k = 0.4904 0.4904 0.2407 ( 4584 PWs) bands (ev): -33.4799 -33.4799 -33.4799 -33.4799 -14.4886 -14.4886 -14.4885 -14.4885 -13.0683 -13.0683 -13.0683 -13.0683 -13.0479 -13.0479 -13.0478 -13.0478 -1.7704 -1.7704 -1.7646 -1.7646 -0.9543 -0.9543 -0.9529 -0.9529 3.0029 3.0029 3.0091 3.0091 5.4548 5.4548 5.4608 5.4608 6.4534 6.4534 6.4597 6.4597 7.2510 7.2510 7.2844 7.2844 7.6734 7.6734 7.6954 7.6954 11.4493 11.4493 11.4508 11.4508 12.2383 12.2383 12.2571 12.2571 12.4578 12.4578 12.4810 12.4810 k = 0.4808 0.4808 0.2407 ( 4594 PWs) bands (ev): -33.4800 -33.4800 -33.4800 -33.4800 -14.4886 -14.4886 -14.4884 -14.4884 -13.0682 -13.0682 -13.0682 -13.0682 -13.0480 -13.0480 -13.0477 -13.0477 -1.7833 -1.7833 -1.7605 -1.7605 -0.9561 -0.9561 -0.9507 -0.9507 3.0054 3.0054 3.0300 3.0300 5.4530 5.4530 5.4650 5.4650 6.4402 6.4402 6.4632 6.4632 7.2356 7.2356 7.3027 7.3027 7.6646 7.6646 7.7076 7.7076 11.4574 11.4574 11.4617 11.4617 12.2061 12.2061 12.2550 12.2550 12.4528 12.4528 12.4889 12.4889 k = 0.4712 0.4712 0.2407 ( 4594 PWs) bands (ev): -33.4800 -33.4800 -33.4800 -33.4800 -14.4885 -14.4885 -14.4883 -14.4883 -13.0680 -13.0680 -13.0680 -13.0680 -13.0480 -13.0480 -13.0476 -13.0476 -1.8046 -1.8046 -1.7537 -1.7537 -0.9592 -0.9592 -0.9470 -0.9470 3.0094 3.0094 3.0647 3.0647 5.4519 5.4519 5.4701 5.4701 6.4189 6.4189 6.4691 6.4691 7.2200 7.2200 7.3212 7.3212 7.6586 7.6586 7.7207 7.7207 11.4706 11.4706 11.4788 11.4788 12.1689 12.1689 12.2510 12.2510 12.4451 12.4451 12.4638 12.4638 k = 0.4615 0.4615 0.2407 ( 4598 PWs) bands (ev): -33.4800 -33.4800 -33.4800 -33.4800 -14.4884 -14.4884 -14.4882 -14.4882 -13.0677 -13.0677 -13.0677 -13.0677 -13.0481 -13.0481 -13.0475 -13.0475 -1.8336 -1.8336 -1.7441 -1.7441 -0.9636 -0.9636 -0.9422 -0.9422 3.0152 3.0152 3.1126 3.1126 5.4516 5.4516 5.4762 5.4762 6.3908 6.3908 6.4774 6.4774 7.2028 7.2028 7.3386 7.3386 7.6570 7.6570 7.7352 7.7352 11.4878 11.4878 11.5008 11.5008 12.1336 12.1336 12.2449 12.2449 12.4214 12.4214 12.4405 12.4405 k = 0.4519 0.4519 0.2407 ( 4606 PWs) bands (ev): -33.4801 -33.4801 -33.4801 -33.4801 -14.4883 -14.4883 -14.4880 -14.4880 -13.0674 -13.0674 -13.0673 -13.0673 -13.0481 -13.0481 -13.0474 -13.0474 -1.8700 -1.8700 -1.7318 -1.7318 -0.9693 -0.9693 -0.9362 -0.9362 3.0226 3.0226 3.1733 3.1733 5.4520 5.4520 5.4834 5.4834 6.3569 6.3569 6.4879 6.4879 7.1824 7.1824 7.3539 7.3539 7.6613 7.6613 7.7515 7.7515 11.5080 11.5080 11.5256 11.5256 12.1046 12.1046 12.2359 12.2359 12.3709 12.3709 12.4309 12.4309 k = 0.4423 0.4423 0.2407 ( 4602 PWs) bands (ev): -33.4801 -33.4801 -33.4801 -33.4801 -14.4881 -14.4881 -14.4877 -14.4877 -13.0669 -13.0669 -13.0668 -13.0668 -13.0481 -13.0481 -13.0473 -13.0473 -1.9129 -1.9129 -1.7167 -1.7167 -0.9763 -0.9763 -0.9292 -0.9292 3.0318 3.0318 3.2463 3.2463 5.4534 5.4534 5.4915 5.4915 6.3184 6.3184 6.5007 6.5007 7.1577 7.1577 7.3666 7.3666 7.6722 7.6722 7.7705 7.7705 11.5296 11.5296 11.5504 11.5504 12.0851 12.0851 12.2197 12.2197 12.3097 12.3097 12.4228 12.4228 k = 0.4327 0.4327 0.2407 ( 4604 PWs) bands (ev): -33.4802 -33.4802 -33.4802 -33.4802 -14.4879 -14.4879 -14.4874 -14.4874 -13.0664 -13.0664 -13.0663 -13.0663 -13.0481 -13.0481 -13.0472 -13.0472 -1.9617 -1.9617 -1.6990 -1.6990 -0.9847 -0.9847 -0.9215 -0.9215 3.0428 3.0428 3.3309 3.3309 5.4556 5.4556 5.5006 5.5006 6.2767 6.2767 6.5157 6.5157 7.1278 7.1278 7.3772 7.3772 7.6887 7.6887 7.7928 7.7928 11.5507 11.5507 11.5722 11.5722 12.0781 12.0781 12.1761 12.1761 12.2583 12.2583 12.4153 12.4153 k = 0.4231 0.4231 0.2407 ( 4598 PWs) bands (ev): -33.4802 -33.4802 -33.4802 -33.4802 -14.4876 -14.4876 -14.4871 -14.4871 -13.0658 -13.0658 -13.0656 -13.0656 -13.0481 -13.0481 -13.0471 -13.0471 -2.0156 -2.0156 -1.6785 -1.6785 -0.9944 -0.9944 -0.9131 -0.9131 3.0557 3.0557 3.4264 3.4264 5.4587 5.4587 5.5107 5.5107 6.2327 6.2327 6.5329 6.5329 7.0925 7.0925 7.3868 7.3868 7.7094 7.7094 7.8192 7.8192 11.5688 11.5688 11.5888 11.5888 12.0737 12.0737 12.0992 12.0992 12.2346 12.2346 12.4069 12.4069 k = 0.4135 0.4135 0.2407 ( 4598 PWs) bands (ev): -33.4803 -33.4803 -33.4803 -33.4803 -14.4873 -14.4873 -14.4868 -14.4868 -13.0652 -13.0652 -13.0649 -13.0649 -13.0480 -13.0480 -13.0469 -13.0469 -2.0740 -2.0740 -1.6554 -1.6554 -1.0055 -1.0055 -0.9042 -0.9042 3.0705 3.0705 3.5321 3.5321 5.4627 5.4627 5.5216 5.5216 6.1878 6.1878 6.5521 6.5521 7.0523 7.0523 7.3965 7.3965 7.7322 7.7322 7.8498 7.8498 11.5801 11.5801 11.6011 11.6011 11.9649 11.9649 12.1154 12.1154 12.2206 12.2206 12.3950 12.3950 k = 0.4038 0.4038 0.2407 ( 4582 PWs) bands (ev): -33.4803 -33.4803 -33.4803 -33.4803 -14.4870 -14.4870 -14.4864 -14.4864 -13.0644 -13.0644 -13.0641 -13.0641 -13.0480 -13.0480 -13.0467 -13.0467 -2.1361 -2.1361 -1.6295 -1.6295 -1.0180 -1.0180 -0.8948 -0.8948 3.0872 3.0872 3.6472 3.6472 5.4673 5.4673 5.5334 5.5334 6.1430 6.1430 6.5732 6.5732 7.0082 7.0082 7.4070 7.4070 7.7560 7.7560 7.8840 7.8840 11.5815 11.5815 11.6111 11.6111 11.8285 11.8285 12.1554 12.1554 12.2085 12.2085 12.3785 12.3785 k = 0.3942 0.3942 0.2407 ( 4582 PWs) bands (ev): -33.4804 -33.4804 -33.4804 -33.4804 -14.4866 -14.4866 -14.4860 -14.4860 -13.0636 -13.0636 -13.0633 -13.0633 -13.0479 -13.0479 -13.0466 -13.0466 -2.2014 -2.2014 -1.6009 -1.6009 -1.0320 -1.0320 -0.8852 -0.8852 3.1060 3.1060 3.7712 3.7712 5.4720 5.4720 5.5460 5.5460 6.0998 6.0998 6.5958 6.5958 6.9615 6.9615 7.4188 7.4188 7.7805 7.7805 7.9208 7.9208 11.5747 11.5747 11.6127 11.6127 11.6825 11.6825 12.1946 12.1946 12.2104 12.2104 12.3578 12.3578 k = 0.3846 0.3846 0.2407 ( 4570 PWs) bands (ev): -33.4805 -33.4805 -33.4805 -33.4805 -14.4862 -14.4862 -14.4855 -14.4855 -13.0628 -13.0628 -13.0623 -13.0623 -13.0478 -13.0478 -13.0464 -13.0464 -2.2692 -2.2692 -1.5697 -1.5697 -1.0475 -1.0475 -0.8753 -0.8753 3.1269 3.1269 3.9032 3.9032 5.4761 5.4761 5.5594 5.5594 6.0597 6.0597 6.6196 6.6196 6.9138 6.9138 7.4322 7.4322 7.8055 7.8055 7.9588 7.9588 11.4970 11.4970 11.5649 11.5649 11.6360 11.6360 12.1836 12.1836 12.2711 12.2711 12.3337 12.3337 k = 0.3750 0.3750 0.2407 ( 4572 PWs) bands (ev): -33.4806 -33.4806 -33.4806 -33.4806 -14.4858 -14.4858 -14.4851 -14.4851 -13.0619 -13.0619 -13.0613 -13.0613 -13.0477 -13.0477 -13.0462 -13.0462 -2.3390 -2.3390 -1.5358 -1.5358 -1.0644 -1.0644 -0.8653 -0.8653 3.1500 3.1500 4.0425 4.0425 5.4783 5.4783 5.5737 5.5737 6.0244 6.0244 6.6431 6.6431 6.8672 6.8672 7.4471 7.4471 7.8315 7.8315 7.9966 7.9966 11.3203 11.3203 11.5512 11.5512 11.6391 11.6391 12.1710 12.1710 12.3051 12.3051 12.3402 12.3402 k = 0.3654 0.3654 0.2407 ( 4570 PWs) bands (ev): -33.4807 -33.4807 -33.4807 -33.4807 -14.4853 -14.4853 -14.4845 -14.4845 -13.0609 -13.0609 -13.0603 -13.0603 -13.0475 -13.0475 -13.0459 -13.0459 -2.4103 -2.4103 -1.4993 -1.4993 -1.0828 -1.0828 -0.8554 -0.8554 3.1753 3.1753 4.1885 4.1885 5.4769 5.4769 5.5895 5.5895 5.9959 5.9959 6.6633 6.6633 6.8259 6.8259 7.4636 7.4636 7.8586 7.8586 8.0330 8.0330 11.1314 11.1314 11.5370 11.5370 11.6443 11.6443 12.1576 12.1576 12.2755 12.2755 12.4099 12.4099 k = 0.3558 0.3558 0.2407 ( 4568 PWs) bands (ev): -33.4808 -33.4808 -33.4807 -33.4807 -14.4848 -14.4848 -14.4840 -14.4840 -13.0599 -13.0599 -13.0592 -13.0592 -13.0473 -13.0473 -13.0457 -13.0457 -2.4826 -2.4826 -1.4602 -1.4602 -1.1026 -1.1026 -0.8455 -0.8455 3.2028 3.2028 4.3403 4.3403 5.4704 5.4704 5.6071 5.6071 5.9760 5.9760 6.6713 6.6713 6.7995 6.7995 7.4817 7.4817 7.8871 7.8871 8.0670 8.0670 10.9344 10.9344 11.5232 11.5232 11.6513 11.6513 12.1432 12.1432 12.2429 12.2429 12.4785 12.4785 k = 0.3462 0.3462 0.2407 ( 4572 PWs) bands (ev): -33.4809 -33.4809 -33.4809 -33.4809 -14.4843 -14.4843 -14.4834 -14.4834 -13.0589 -13.0589 -13.0580 -13.0580 -13.0470 -13.0470 -13.0454 -13.0454 -2.5556 -2.5556 -1.4185 -1.4185 -1.1239 -1.1239 -0.8358 -0.8358 3.2327 3.2327 4.4970 4.4970 5.4578 5.4578 5.6270 5.6270 5.9661 5.9661 6.6560 6.6560 6.7998 6.7998 7.5012 7.5012 7.9170 7.9170 8.0978 8.0978 10.7311 10.7311 11.5102 11.5102 11.6613 11.6613 12.1277 12.1277 12.2080 12.2080 12.5399 12.5399 k = 0.3365 0.3365 0.2407 ( 4568 PWs) bands (ev): -33.4810 -33.4810 -33.4810 -33.4810 -14.4837 -14.4837 -14.4829 -14.4829 -13.0578 -13.0578 -13.0569 -13.0569 -13.0467 -13.0467 -13.0450 -13.0450 -2.6289 -2.6289 -1.3742 -1.3742 -1.1465 -1.1465 -0.8265 -0.8265 3.2648 3.2648 4.6569 4.6569 5.4399 5.4399 5.6495 5.6495 5.9666 5.9666 6.6234 6.6234 6.8213 6.8213 7.5222 7.5222 7.9484 7.9484 8.1248 8.1248 10.5232 10.5232 11.4984 11.4984 11.6753 11.6753 12.1105 12.1105 12.1709 12.1709 12.5863 12.5863 k = 0.3269 0.3269 0.2407 ( 4564 PWs) bands (ev): -33.4812 -33.4812 -33.4811 -33.4811 -14.4831 -14.4831 -14.4822 -14.4822 -13.0568 -13.0568 -13.0557 -13.0557 -13.0464 -13.0464 -13.0446 -13.0446 -2.7021 -2.7021 -1.3274 -1.3274 -1.1705 -1.1705 -0.8175 -0.8175 3.2993 3.2993 4.8173 4.8173 5.4196 5.4196 5.6745 5.6745 5.9772 5.9772 6.5856 6.5856 6.8527 6.8527 7.5445 7.5445 7.9813 7.9813 8.1477 8.1477 10.3120 10.3120 11.4880 11.4880 11.6940 11.6940 12.0908 12.0908 12.1326 12.1326 12.6106 12.6106 k = 0.3173 0.3173 0.2407 ( 4566 PWs) bands (ev): -33.4813 -33.4813 -33.4812 -33.4812 -14.4825 -14.4825 -14.4816 -14.4816 -13.0557 -13.0557 -13.0545 -13.0545 -13.0459 -13.0459 -13.0441 -13.0441 -2.7750 -2.7750 -1.2781 -1.2781 -1.1957 -1.1957 -0.8090 -0.8090 3.3361 3.3361 4.9709 4.9709 5.4050 5.4050 5.7019 5.7019 5.9967 5.9967 6.5479 6.5479 6.8889 6.8889 7.5681 7.5681 8.0153 8.0153 8.1665 8.1665 10.0985 10.0985 11.4790 11.4790 11.7180 11.7180 12.0660 12.0660 12.0953 12.0953 12.6120 12.6120 k = 0.3077 0.3077 0.2407 ( 4568 PWs) bands (ev): -33.4814 -33.4814 -33.4813 -33.4813 -14.4819 -14.4819 -14.4809 -14.4809 -13.0547 -13.0547 -13.0534 -13.0534 -13.0453 -13.0453 -13.0436 -13.0436 -2.8473 -2.8473 -1.2277 -1.2277 -1.2207 -1.2207 -0.8011 -0.8011 3.3751 3.3751 5.0965 5.0965 5.4185 5.4185 5.7315 5.7315 6.0243 6.0243 6.5127 6.5127 6.9280 6.9280 7.5929 7.5929 8.0498 8.0498 8.1818 8.1818 9.8838 9.8838 11.4714 11.4714 11.7474 11.7474 12.0311 12.0311 12.0636 12.0636 12.5962 12.5962 k = 0.2981 0.2981 0.2407 ( 4566 PWs) bands (ev): -33.4816 -33.4816 -33.4814 -33.4814 -14.4813 -14.4813 -14.4803 -14.4803 -13.0538 -13.0538 -13.0523 -13.0523 -13.0446 -13.0446 -13.0429 -13.0429 -2.9188 -2.9188 -1.2500 -1.2500 -1.1718 -1.1718 -0.7938 -0.7938 3.4164 3.4164 5.1549 5.1549 5.5000 5.5000 5.7631 5.7631 6.0588 6.0588 6.4812 6.4812 6.9691 6.9691 7.6189 7.6189 8.0835 8.0835 8.1950 8.1950 9.6689 9.6689 11.4651 11.4651 11.7818 11.7818 11.9877 11.9877 12.0359 12.0359 12.5688 12.5688 k = 0.2885 0.2885 0.2407 ( 4570 PWs) bands (ev): -33.4817 -33.4817 -33.4815 -33.4815 -14.4806 -14.4806 -14.4796 -14.4796 -13.0529 -13.0529 -13.0513 -13.0513 -13.0438 -13.0438 -13.0422 -13.0422 -2.9893 -2.9893 -1.2785 -1.2785 -1.1152 -1.1152 -0.7873 -0.7873 3.4599 3.4599 5.1519 5.1519 5.6439 5.6439 5.7966 5.7966 6.0995 6.0995 6.4542 6.4542 7.0119 7.0119 7.6460 7.6460 8.1130 8.1130 8.2096 8.2096 9.4544 9.4544 11.4597 11.4597 11.8205 11.8205 11.9400 11.9400 12.0076 12.0076 12.5337 12.5337 k = 0.2788 0.2788 0.2407 ( 4562 PWs) bands (ev): -33.4818 -33.4818 -33.4817 -33.4817 -14.4799 -14.4799 -14.4789 -14.4789 -13.0521 -13.0521 -13.0504 -13.0504 -13.0428 -13.0428 -13.0413 -13.0413 -3.0585 -3.0585 -1.3080 -1.3080 -1.0562 -1.0562 -0.7816 -0.7816 3.5054 3.5054 5.1235 5.1235 5.8075 5.8075 5.8381 5.8381 6.1462 6.1462 6.4327 6.4327 7.0557 7.0557 7.6738 7.6738 8.1332 8.1332 8.2312 8.2312 9.2415 9.2415 11.4549 11.4549 11.8622 11.8622 11.8897 11.8897 11.9772 11.9772 12.4929 12.4929 k = 0.2692 0.2692 0.2407 ( 4546 PWs) bands (ev): -33.4820 -33.4820 -33.4817 -33.4817 -14.4792 -14.4792 -14.4782 -14.4782 -13.0514 -13.0514 -13.0497 -13.0497 -13.0416 -13.0416 -13.0403 -13.0403 -3.1264 -3.1264 -1.3382 -1.3382 -0.9950 -0.9950 -0.7767 -0.7767 3.5528 3.5528 5.0859 5.0859 5.8636 5.8636 5.9968 5.9968 6.1991 6.1991 6.4178 6.4178 7.1003 7.1003 7.7023 7.7023 8.1414 8.1414 8.2627 8.2627 9.0313 9.0313 11.4502 11.4502 11.8371 11.8371 11.9027 11.9027 11.9470 11.9470 12.4476 12.4476 k = 0.2596 0.2596 0.2407 ( 4558 PWs) bands (ev): -33.4822 -33.4822 -33.4819 -33.4819 -14.4785 -14.4785 -14.4774 -14.4774 -13.0508 -13.0508 -13.0490 -13.0490 -13.0403 -13.0403 -13.0391 -13.0391 -3.1928 -3.1928 -1.3691 -1.3691 -0.9316 -0.9316 -0.7727 -0.7727 3.6021 3.6021 5.0448 5.0448 5.9006 5.9006 6.1683 6.1683 6.2648 6.2648 6.4134 6.4134 7.1451 7.1451 7.7308 7.7308 8.1407 8.1407 8.3010 8.3010 8.8257 8.8257 11.4450 11.4450 11.7830 11.7830 11.8969 11.8969 11.9592 11.9592 12.3984 12.3984 k = 0.2500 0.2500 0.2407 ( 4564 PWs) bands (ev): -33.4823 -33.4823 -33.4820 -33.4820 -14.4778 -14.4778 -14.4767 -14.4767 -13.0502 -13.0502 -13.0484 -13.0484 -13.0389 -13.0389 -13.0379 -13.0379 -3.2575 -3.2575 -1.4005 -1.4005 -0.8660 -0.8660 -0.7697 -0.7697 3.6530 3.6530 5.0023 5.0023 5.9376 5.9376 6.2796 6.2796 6.3609 6.3609 6.4524 6.4524 7.1895 7.1895 7.7584 7.7584 8.1350 8.1350 8.3395 8.3395 8.6299 8.6299 11.4383 11.4383 11.7278 11.7278 11.8562 11.8562 12.0004 12.0004 12.3459 12.3459 k = 0.2404 0.2404 0.2407 ( 4560 PWs) bands (ev): -33.4824 -33.4824 -33.4821 -33.4821 -14.4770 -14.4770 -14.4760 -14.4760 -13.0497 -13.0497 -13.0479 -13.0479 -13.0374 -13.0374 -13.0366 -13.0366 -3.3204 -3.3204 -1.4323 -1.4323 -0.7984 -0.7984 -0.7675 -0.7675 3.7053 3.7053 4.9596 4.9596 5.9750 5.9750 6.3377 6.3377 6.4027 6.4027 6.6101 6.6101 7.2326 7.2326 7.7829 7.7829 8.1270 8.1270 8.3449 8.3449 8.4790 8.4790 11.4290 11.4290 11.6720 11.6720 11.8089 11.8089 12.0396 12.0396 12.2909 12.2909 k = 0.2308 0.2308 0.2407 ( 4560 PWs) bands (ev): -33.4826 -33.4826 -33.4823 -33.4823 -14.4763 -14.4763 -14.4752 -14.4752 -13.0493 -13.0493 -13.0475 -13.0475 -13.0359 -13.0359 -13.0351 -13.0351 -3.3815 -3.3815 -1.4643 -1.4643 -0.7664 -0.7664 -0.7288 -0.7288 3.7589 3.7589 4.9174 4.9174 6.0126 6.0126 6.3700 6.3700 6.4490 6.4490 6.7985 6.7985 7.2726 7.2726 7.7989 7.7989 8.1171 8.1171 8.2219 8.2219 8.4764 8.4764 11.4155 11.4155 11.6163 11.6163 11.7564 11.7564 12.0733 12.0733 12.2346 12.2346 k = 0.2212 0.2212 0.2407 ( 4560 PWs) bands (ev): -33.4827 -33.4827 -33.4824 -33.4824 -14.4756 -14.4756 -14.4745 -14.4745 -13.0489 -13.0489 -13.0471 -13.0471 -13.0343 -13.0343 -13.0337 -13.0337 -3.4406 -3.4406 -1.4964 -1.4964 -0.7661 -0.7661 -0.6575 -0.6575 3.8135 3.8135 4.8762 4.8762 6.0505 6.0505 6.3909 6.3909 6.5106 6.5106 6.9895 6.9895 7.3058 7.3058 7.7903 7.7903 8.0670 8.0670 8.1303 8.1303 8.5227 8.5227 11.3958 11.3958 11.5617 11.5617 11.6991 11.6991 12.0991 12.0991 12.1786 12.1786 k = 0.2115 0.2115 0.2407 ( 4560 PWs) bands (ev): -33.4828 -33.4828 -33.4825 -33.4825 -14.4748 -14.4748 -14.4738 -14.4738 -13.0485 -13.0485 -13.0468 -13.0468 -13.0326 -13.0326 -13.0321 -13.0321 -3.4976 -3.4976 -1.5284 -1.5284 -0.7668 -0.7668 -0.5844 -0.5844 3.8689 3.8689 4.8362 4.8362 6.0886 6.0886 6.4126 6.4126 6.5774 6.5774 7.1759 7.1759 7.3242 7.3242 7.7293 7.7293 8.0004 8.0004 8.1270 8.1270 8.5771 8.5771 11.3682 11.3682 11.5091 11.5091 11.6375 11.6375 12.1124 12.1124 12.1285 12.1285 k = 0.2019 0.2019 0.2407 ( 4562 PWs) bands (ev): -33.4830 -33.4830 -33.4827 -33.4827 -14.4741 -14.4741 -14.4731 -14.4731 -13.0482 -13.0482 -13.0465 -13.0465 -13.0310 -13.0310 -13.0306 -13.0306 -3.5525 -3.5525 -1.5602 -1.5602 -0.7683 -0.7683 -0.5098 -0.5098 3.9246 3.9246 4.7979 4.7979 6.1271 6.1271 6.4382 6.4382 6.6459 6.6459 7.2860 7.2860 7.3707 7.3707 7.6474 7.6474 7.9916 7.9916 8.1383 8.1383 8.6360 8.6360 11.3318 11.3318 11.4583 11.4583 11.5719 11.5719 12.0730 12.0730 12.1265 12.1265 k = 0.1923 0.1923 0.2407 ( 4558 PWs) bands (ev): -33.4831 -33.4831 -33.4828 -33.4828 -14.4734 -14.4734 -14.4723 -14.4723 -13.0478 -13.0478 -13.0462 -13.0462 -13.0294 -13.0294 -13.0290 -13.0290 -3.6053 -3.6053 -1.5916 -1.5916 -0.7706 -0.7706 -0.4338 -0.4338 3.9804 3.9804 4.7613 4.7613 6.1661 6.1661 6.4680 6.4680 6.7140 6.7140 7.2029 7.2029 7.5290 7.5290 7.6099 7.6099 8.0120 8.0120 8.1610 8.1610 8.6994 8.6994 11.2877 11.2877 11.4077 11.4077 11.5033 11.5033 12.0302 12.0302 12.1261 12.1261 k = 0.1827 0.1827 0.2407 ( 4558 PWs) bands (ev): -33.4832 -33.4832 -33.4829 -33.4829 -14.4727 -14.4727 -14.4716 -14.4716 -13.0475 -13.0475 -13.0459 -13.0459 -13.0278 -13.0278 -13.0274 -13.0274 -3.6557 -3.6557 -1.6225 -1.6225 -0.7737 -0.7737 -0.3567 -0.3567 4.0358 4.0358 4.7269 4.7269 6.2057 6.2057 6.5012 6.5012 6.7795 6.7795 7.0679 7.0679 7.6152 7.6152 7.6641 7.6641 8.0572 8.0572 8.1949 8.1949 8.7685 8.7685 11.2388 11.2388 11.3545 11.3545 11.4333 11.4333 11.9946 11.9946 12.1189 12.1189 k = 0.1731 0.1731 0.2407 ( 4562 PWs) bands (ev): -33.4833 -33.4833 -33.4830 -33.4830 -14.4720 -14.4720 -14.4710 -14.4710 -13.0472 -13.0472 -13.0456 -13.0456 -13.0263 -13.0263 -13.0258 -13.0258 -3.7039 -3.7039 -1.6527 -1.6527 -0.7775 -0.7775 -0.2785 -0.2785 4.0903 4.0903 4.6949 4.6949 6.2460 6.2460 6.5349 6.5349 6.8320 6.8320 6.9277 6.9277 7.6387 7.6387 7.7575 7.7575 8.1314 8.1314 8.2410 8.2410 8.8462 8.8462 11.1879 11.1879 11.2957 11.2957 11.3644 11.3644 11.9665 11.9665 12.1054 12.1054 k = 0.1635 0.1635 0.2407 ( 4562 PWs) bands (ev): -33.4835 -33.4835 -33.4831 -33.4831 -14.4713 -14.4713 -14.4703 -14.4703 -13.0469 -13.0469 -13.0454 -13.0454 -13.0248 -13.0248 -13.0242 -13.0242 -3.7497 -3.7497 -1.6822 -1.6822 -0.7818 -0.7818 -0.1997 -0.1997 4.1432 4.1432 4.6656 4.6656 6.2861 6.2861 6.5572 6.5572 6.7620 6.7620 6.9174 6.9174 7.6681 7.6681 7.8141 7.8141 8.2174 8.2174 8.3055 8.3055 8.9362 8.9362 11.1372 11.1372 11.2288 11.2288 11.3008 11.3008 11.9449 11.9449 12.0866 12.0866 k = 0.1538 0.1538 0.2407 ( 4566 PWs) bands (ev): -33.4836 -33.4836 -33.4833 -33.4833 -14.4707 -14.4707 -14.4696 -14.4696 -13.0466 -13.0466 -13.0452 -13.0452 -13.0233 -13.0233 -13.0227 -13.0227 -3.7930 -3.7930 -1.7107 -1.7107 -0.7866 -0.7866 -0.1204 -0.1204 4.1937 4.1937 4.6397 4.6397 6.3212 6.3212 6.5153 6.5153 6.7013 6.7013 6.9667 6.9667 7.6983 7.6983 7.8517 7.8517 8.2888 8.2888 8.3912 8.3912 9.0430 9.0430 11.0884 11.0884 11.1539 11.1539 11.2451 11.2451 11.9283 11.9283 12.0624 12.0624 k = 0.1442 0.1442 0.2407 ( 4558 PWs) bands (ev): -33.4837 -33.4837 -33.4834 -33.4834 -14.4700 -14.4700 -14.4690 -14.4690 -13.0464 -13.0464 -13.0450 -13.0450 -13.0218 -13.0218 -13.0212 -13.0212 -3.8340 -3.8340 -1.7382 -1.7382 -0.7919 -0.7919 -0.0411 -0.0411 4.2405 4.2405 4.6179 4.6179 6.3113 6.3113 6.4393 6.4393 6.7243 6.7243 7.0121 7.0121 7.7269 7.7269 7.8840 7.8840 8.3493 8.3493 8.4773 8.4773 9.1688 9.1688 11.0420 11.0420 11.0742 11.0742 11.1981 11.1981 11.9145 11.9145 12.0323 12.0323 k = 0.1346 0.1346 0.2407 ( 4548 PWs) bands (ev): -33.4837 -33.4837 -33.4835 -33.4835 -14.4694 -14.4694 -14.4684 -14.4684 -13.0461 -13.0461 -13.0448 -13.0448 -13.0204 -13.0204 -13.0198 -13.0198 -3.8724 -3.8724 -1.7645 -1.7645 -0.7974 -0.7974 0.0379 0.0379 4.2821 4.2821 4.6015 4.6015 6.1959 6.1959 6.4544 6.4544 6.7704 6.7704 7.0502 7.0502 7.7524 7.7524 7.9172 7.9172 8.4074 8.4074 8.5489 8.5489 9.3120 9.3120 10.9834 10.9834 11.0077 11.0077 11.1604 11.1604 11.9013 11.9013 11.9965 11.9965 k = 0.1250 0.1250 0.2407 ( 4544 PWs) bands (ev): -33.4838 -33.4838 -33.4835 -33.4835 -14.4689 -14.4689 -14.4679 -14.4679 -13.0459 -13.0459 -13.0446 -13.0446 -13.0191 -13.0191 -13.0184 -13.0184 -3.9083 -3.9083 -1.7895 -1.7895 -0.8031 -0.8031 0.1162 0.1162 4.3163 4.3163 4.5919 4.5919 6.0553 6.0553 6.4974 6.4974 6.8237 6.8237 7.0806 7.0806 7.7737 7.7737 7.9535 7.9535 8.4646 8.4646 8.6046 8.6046 9.4677 9.4677 10.9001 10.9001 10.9692 10.9692 11.1336 11.1336 11.8863 11.8863 11.9588 11.9588 k = 0.1154 0.1154 0.2407 ( 4548 PWs) bands (ev): -33.4839 -33.4839 -33.4837 -33.4837 -14.4683 -14.4683 -14.4673 -14.4673 -13.0456 -13.0456 -13.0444 -13.0444 -13.0178 -13.0178 -13.0171 -13.0171 -3.9417 -3.9417 -1.8131 -1.8131 -0.8089 -0.8089 0.1933 0.1933 4.3410 4.3410 4.5908 4.5908 5.9159 5.9159 6.5456 6.5456 6.8806 6.8806 7.1040 7.1040 7.7900 7.7900 7.9923 7.9923 8.5195 8.5195 8.6493 8.6493 9.6298 9.6298 10.8141 10.8141 10.9382 10.9382 11.1193 11.1193 11.8666 11.8666 11.9235 11.9235 k = 0.1058 0.1058 0.2407 ( 4544 PWs) bands (ev): -33.4840 -33.4840 -33.4837 -33.4837 -14.4678 -14.4678 -14.4668 -14.4668 -13.0454 -13.0454 -13.0443 -13.0443 -13.0167 -13.0167 -13.0158 -13.0158 -3.9725 -3.9725 -1.8351 -1.8351 -0.8146 -0.8146 0.2686 0.2686 4.3552 4.3552 4.5984 4.5984 5.7829 5.7829 6.5954 6.5954 6.9400 6.9400 7.1225 7.1225 7.8009 7.8009 8.0313 8.0313 8.5674 8.5674 8.6913 8.6913 9.7925 9.7925 10.7282 10.7282 10.9135 10.9135 11.1188 11.1188 11.8400 11.8400 11.8928 11.8928 k = 0.0962 0.0962 0.2407 ( 4540 PWs) bands (ev): -33.4841 -33.4841 -33.4838 -33.4838 -14.4673 -14.4673 -14.4664 -14.4664 -13.0452 -13.0452 -13.0442 -13.0442 -13.0155 -13.0155 -13.0147 -13.0147 -4.0007 -4.0007 -1.8556 -1.8556 -0.8203 -0.8203 0.3415 0.3415 4.3603 4.3603 4.6125 4.6125 5.6587 5.6587 6.6449 6.6449 7.0004 7.0004 7.1384 7.1384 7.8060 7.8060 8.0670 8.0670 8.6031 8.6031 8.7401 8.7401 9.9510 9.9510 10.6433 10.6433 10.8952 10.8952 11.1327 11.1327 11.8080 11.8080 11.8641 11.8641 k = 0.0865 0.0865 0.2407 ( 4532 PWs) bands (ev): -33.4841 -33.4841 -33.4839 -33.4839 -14.4669 -14.4669 -14.4659 -14.4659 -13.0450 -13.0450 -13.0440 -13.0440 -13.0145 -13.0145 -13.0136 -13.0136 -4.0263 -4.0263 -1.8744 -1.8744 -0.8257 -0.8257 0.4113 0.4113 4.3590 4.3590 4.6295 4.6295 5.5452 5.5452 6.6926 6.6926 7.0599 7.0599 7.1560 7.1560 7.8051 7.8051 8.0950 8.0950 8.6270 8.6270 8.7988 8.7988 10.1010 10.1010 10.5603 10.5603 10.8839 10.8839 11.1608 11.1608 11.7742 11.7742 11.8287 11.8287 k = 0.0769 0.0769 0.2407 ( 4524 PWs) bands (ev): -33.4842 -33.4842 -33.4839 -33.4839 -14.4665 -14.4665 -14.4655 -14.4655 -13.0448 -13.0448 -13.0439 -13.0439 -13.0136 -13.0136 -13.0126 -13.0126 -4.0492 -4.0492 -1.8915 -1.8915 -0.8309 -0.8309 0.4772 0.4772 4.3539 4.3539 4.6454 4.6454 5.4444 5.4444 6.7367 6.7367 7.1129 7.1129 7.1830 7.1830 7.7984 7.7984 8.1110 8.1110 8.6455 8.6455 8.8643 8.8643 10.2385 10.2385 10.4800 10.4800 10.8799 10.8799 11.2023 11.2023 11.7409 11.7409 11.7854 11.7854 k = 0.0673 0.0673 0.2407 ( 4520 PWs) bands (ev): -33.4842 -33.4842 -33.4840 -33.4840 -14.4661 -14.4661 -14.4652 -14.4652 -13.0446 -13.0446 -13.0439 -13.0439 -13.0127 -13.0127 -13.0118 -13.0118 -4.0695 -4.0695 -1.9067 -1.9067 -0.8356 -0.8356 0.5383 0.5383 4.3472 4.3472 4.6571 4.6571 5.3578 5.3578 6.7754 6.7754 7.1515 7.1515 7.2289 7.2289 7.7860 7.7860 8.1122 8.1122 8.6644 8.6644 8.9330 8.9330 10.3602 10.3602 10.4033 10.4033 10.8835 10.8835 11.2551 11.2551 11.7096 11.7096 11.7404 11.7404 k = 0.0577 0.0577 0.2407 ( 4516 PWs) bands (ev): -33.4843 -33.4843 -33.4840 -33.4840 -14.4658 -14.4658 -14.4649 -14.4649 -13.0445 -13.0445 -13.0438 -13.0438 -13.0120 -13.0120 -13.0110 -13.0110 -4.0871 -4.0871 -1.9200 -1.9200 -0.8399 -0.8399 0.5939 0.5939 4.3401 4.3401 4.6626 4.6626 5.2871 5.2871 6.8072 6.8072 7.1821 7.1821 7.2888 7.2888 7.7686 7.7686 8.0975 8.0975 8.6864 8.6864 9.0016 9.0016 10.3312 10.3312 10.4637 10.4637 10.8949 10.8949 11.3156 11.3156 11.6810 11.6810 11.6962 11.6962 k = 0.0481 0.0481 0.2407 ( 4516 PWs) bands (ev): -33.4843 -33.4843 -33.4840 -33.4840 -14.4656 -14.4656 -14.4646 -14.4646 -13.0443 -13.0443 -13.0437 -13.0437 -13.0114 -13.0114 -13.0104 -13.0104 -4.1020 -4.1020 -1.9313 -1.9313 -0.8436 -0.8436 0.6430 0.6430 4.3333 4.3333 4.6612 4.6612 5.2326 5.2326 6.8315 6.8315 7.2136 7.2136 7.3533 7.3533 7.7473 7.7473 8.0683 8.0683 8.7110 8.7110 9.0675 9.0675 10.2651 10.2651 10.5474 10.5474 10.9138 10.9138 11.3790 11.3790 11.6522 11.6522 11.6581 11.6581 k = 0.0385 0.0385 0.2407 ( 4510 PWs) bands (ev): -33.4843 -33.4843 -33.4841 -33.4841 -14.4653 -14.4653 -14.4644 -14.4644 -13.0442 -13.0442 -13.0437 -13.0437 -13.0109 -13.0109 -13.0098 -13.0098 -4.1142 -4.1142 -1.9407 -1.9407 -0.8467 -0.8467 0.6847 0.6847 4.3274 4.3274 4.6538 4.6538 5.1936 5.1936 6.8487 6.8487 7.2478 7.2478 7.4180 7.4180 7.7240 7.7240 8.0276 8.0276 8.7361 8.7361 9.1279 9.1279 10.2064 10.2064 10.6113 10.6113 10.9387 10.9387 11.4397 11.4397 11.6152 11.6152 11.6360 11.6360 k = 0.0288 0.0288 0.2407 ( 4494 PWs) bands (ev): -33.4843 -33.4843 -33.4841 -33.4841 -14.4652 -14.4652 -14.4643 -14.4643 -13.0441 -13.0441 -13.0436 -13.0436 -13.0105 -13.0105 -13.0094 -13.0094 -4.1237 -4.1237 -1.9480 -1.9480 -0.8492 -0.8492 0.7181 0.7181 4.3226 4.3226 4.6430 4.6430 5.1678 5.1678 6.8599 6.8599 7.2830 7.2830 7.4789 7.4789 7.7022 7.7022 7.9794 7.9794 8.7592 8.7592 9.1799 9.1799 10.1571 10.1571 10.6569 10.6569 10.9662 10.9662 11.4917 11.4917 11.5830 11.5830 11.6190 11.6190 k = 0.0192 0.0192 0.2407 ( 4494 PWs) bands (ev): -33.4843 -33.4843 -33.4841 -33.4841 -14.4650 -14.4650 -14.4641 -14.4641 -13.0441 -13.0441 -13.0436 -13.0436 -13.0102 -13.0102 -13.0091 -13.0091 -4.1305 -4.1305 -1.9532 -1.9532 -0.8511 -0.8511 0.7426 0.7426 4.3191 4.3191 4.6321 4.6321 5.1522 5.1522 6.8667 6.8667 7.3154 7.3154 7.5289 7.5289 7.6889 7.6889 7.9285 7.9285 8.7778 8.7778 9.2202 9.2202 10.1193 10.1193 10.6869 10.6869 10.9915 10.9915 11.5305 11.5305 11.5584 11.5584 11.6059 11.6059 k = 0.0096 0.0096 0.2407 ( 4490 PWs) bands (ev): -33.4843 -33.4843 -33.4841 -33.4841 -14.4650 -14.4650 -14.4641 -14.4641 -13.0440 -13.0440 -13.0436 -13.0436 -13.0100 -13.0100 -13.0089 -13.0089 -4.1346 -4.1346 -1.9564 -1.9564 -0.8521 -0.8521 0.7575 0.7575 4.3169 4.3169 4.6242 4.6242 5.1441 5.1441 6.8703 6.8703 7.3393 7.3393 7.5570 7.5570 7.6925 7.6925 7.8836 7.8836 8.7898 8.7898 9.2459 9.2459 10.0954 10.0954 10.7038 10.7038 11.0093 11.0093 11.5428 11.5428 11.5548 11.5548 11.5961 11.5961 k = 0.0000 0.0000 0.2407 ( 4466 PWs) bands (ev): -33.4843 -33.4843 -33.4840 -33.4840 -14.4649 -14.4649 -14.4640 -14.4640 -13.0440 -13.0440 -13.0436 -13.0436 -13.0099 -13.0099 -13.0089 -13.0089 -4.1359 -4.1359 -1.9574 -1.9574 -0.8525 -0.8525 0.7625 0.7625 4.3162 4.3162 4.6214 4.6214 5.1416 5.1416 6.8714 6.8714 7.3484 7.3484 7.5638 7.5638 7.7005 7.7005 7.8632 7.8632 8.7939 8.7939 9.2548 9.2548 10.0871 10.0871 10.7093 10.7093 11.0158 11.0158 11.5375 11.5375 11.5637 11.5637 11.5917 11.5917 k = 0.0000 0.5000-0.0000 ( 4528 PWs) bands (ev): -33.4821 -33.4821 -33.4821 -33.4821 -14.4786 -14.4786 -14.4786 -14.4786 -13.0700 -13.0700 -13.0700 -13.0700 -13.0194 -13.0194 -13.0194 -13.0194 -2.3950 -2.3950 -2.3950 -2.3950 -0.9476 -0.9476 -0.9476 -0.9476 4.6175 4.6175 4.6175 4.6175 6.6511 6.6511 6.6511 6.6511 7.1134 7.1134 7.1134 7.1134 7.4338 7.4338 7.4338 7.4338 7.8416 7.8416 7.8416 7.8416 8.0829 8.0829 8.0829 8.0829 11.8073 11.8073 11.8073 11.8073 12.2059 12.2059 12.2059 12.2059 k = 0.0000 0.5000 0.0134 ( 4540 PWs) bands (ev): -33.4821 -33.4821 -33.4821 -33.4821 -14.4786 -14.4786 -14.4786 -14.4786 -13.0700 -13.0700 -13.0700 -13.0700 -13.0194 -13.0194 -13.0194 -13.0194 -2.3948 -2.3948 -2.3948 -2.3948 -0.9479 -0.9479 -0.9479 -0.9479 4.6201 4.6201 4.6201 4.6201 6.6489 6.6489 6.6489 6.6489 7.1068 7.1068 7.1068 7.1068 7.4327 7.4327 7.4327 7.4327 7.8282 7.8282 7.8282 7.8282 8.1063 8.1063 8.1063 8.1063 11.8085 11.8085 11.8085 11.8085 12.2007 12.2007 12.2007 12.2007 k = 0.0000 0.5000 0.0267 ( 4540 PWs) bands (ev): -33.4821 -33.4821 -33.4821 -33.4821 -14.4786 -14.4786 -14.4786 -14.4786 -13.0700 -13.0700 -13.0700 -13.0700 -13.0194 -13.0194 -13.0194 -13.0194 -2.3945 -2.3945 -2.3945 -2.3945 -0.9488 -0.9488 -0.9488 -0.9488 4.6278 4.6278 4.6278 4.6278 6.6418 6.6418 6.6418 6.6418 7.0874 7.0874 7.0874 7.0874 7.4296 7.4296 7.4296 7.4296 7.8002 7.8002 7.8002 7.8002 8.1641 8.1641 8.1641 8.1641 11.8120 11.8120 11.8120 11.8120 12.1856 12.1856 12.1856 12.1856 k = 0.0000 0.5000 0.0401 ( 4538 PWs) bands (ev): -33.4821 -33.4821 -33.4821 -33.4821 -14.4786 -14.4786 -14.4786 -14.4786 -13.0700 -13.0700 -13.0700 -13.0700 -13.0194 -13.0194 -13.0194 -13.0194 -2.3939 -2.3939 -2.3939 -2.3939 -0.9502 -0.9502 -0.9502 -0.9502 4.6406 4.6406 4.6406 4.6406 6.6296 6.6296 6.6296 6.6296 7.0565 7.0565 7.0565 7.0565 7.4251 7.4251 7.4251 7.4251 7.7727 7.7727 7.7727 7.7727 8.2394 8.2394 8.2394 8.2394 11.8177 11.8177 11.8177 11.8177 12.1617 12.1617 12.1617 12.1617 k = 0.0000 0.5000 0.0535 ( 4546 PWs) bands (ev): -33.4821 -33.4821 -33.4821 -33.4821 -14.4786 -14.4786 -14.4786 -14.4786 -13.0700 -13.0700 -13.0700 -13.0700 -13.0193 -13.0193 -13.0193 -13.0193 -2.3932 -2.3932 -2.3932 -2.3932 -0.9521 -0.9521 -0.9521 -0.9521 4.6584 4.6584 4.6584 4.6584 6.6111 6.6111 6.6111 6.6111 7.0169 7.0169 7.0169 7.0169 7.4200 7.4200 7.4200 7.4200 7.7519 7.7519 7.7519 7.7519 8.3236 8.3236 8.3236 8.3236 11.8256 11.8256 11.8256 11.8256 12.1305 12.1305 12.1305 12.1305 k = 0.0000 0.5000 0.0669 ( 4534 PWs) bands (ev): -33.4821 -33.4821 -33.4821 -33.4821 -14.4786 -14.4786 -14.4786 -14.4786 -13.0701 -13.0701 -13.0701 -13.0701 -13.0193 -13.0193 -13.0193 -13.0193 -2.3922 -2.3922 -2.3922 -2.3922 -0.9544 -0.9544 -0.9544 -0.9544 4.6810 4.6810 4.6810 4.6810 6.5851 6.5851 6.5851 6.5851 6.9722 6.9722 6.9722 6.9722 7.4149 7.4149 7.4149 7.4149 7.7389 7.7389 7.7389 7.7389 8.4122 8.4122 8.4122 8.4122 11.8354 11.8354 11.8354 11.8354 12.0938 12.0938 12.0938 12.0938 k = 0.0000 0.5000 0.0802 ( 4534 PWs) bands (ev): -33.4821 -33.4821 -33.4821 -33.4821 -14.4786 -14.4786 -14.4786 -14.4786 -13.0701 -13.0701 -13.0701 -13.0701 -13.0192 -13.0192 -13.0192 -13.0192 -2.3911 -2.3911 -2.3911 -2.3911 -0.9571 -0.9571 -0.9571 -0.9571 4.7083 4.7083 4.7083 4.7083 6.5501 6.5501 6.5501 6.5501 6.9271 6.9271 6.9271 6.9271 7.4101 7.4101 7.4101 7.4101 7.7326 7.7326 7.7326 7.7326 8.5024 8.5024 8.5024 8.5024 11.8471 11.8471 11.8471 11.8471 12.0535 12.0535 12.0535 12.0535 k = 0.0000 0.5000 0.0936 ( 4526 PWs) bands (ev): -33.4821 -33.4821 -33.4821 -33.4821 -14.4786 -14.4786 -14.4786 -14.4786 -13.0702 -13.0702 -13.0702 -13.0702 -13.0192 -13.0192 -13.0192 -13.0192 -2.3898 -2.3898 -2.3898 -2.3898 -0.9601 -0.9601 -0.9601 -0.9601 4.7400 4.7400 4.7400 4.7400 6.5050 6.5050 6.5050 6.5050 6.8854 6.8854 6.8854 6.8854 7.4059 7.4059 7.4059 7.4059 7.7316 7.7316 7.7316 7.7316 8.5925 8.5925 8.5925 8.5925 11.8601 11.8601 11.8601 11.8601 12.0114 12.0114 12.0114 12.0114 k = 0.0000 0.5000 0.1070 ( 4518 PWs) bands (ev): -33.4821 -33.4821 -33.4821 -33.4821 -14.4786 -14.4786 -14.4786 -14.4786 -13.0702 -13.0702 -13.0702 -13.0702 -13.0191 -13.0191 -13.0191 -13.0191 -2.3885 -2.3885 -2.3885 -2.3885 -0.9632 -0.9632 -0.9632 -0.9632 4.7757 4.7757 4.7757 4.7757 6.4500 6.4500 6.4500 6.4500 6.8496 6.8496 6.8496 6.8496 7.4021 7.4021 7.4021 7.4021 7.7345 7.7345 7.7345 7.7345 8.6809 8.6809 8.6809 8.6809 11.8736 11.8736 11.8736 11.8736 11.9698 11.9698 11.9698 11.9698 k = 0.0000 0.5000 0.1204 ( 4524 PWs) bands (ev): -33.4821 -33.4821 -33.4821 -33.4821 -14.4786 -14.4786 -14.4786 -14.4786 -13.0703 -13.0703 -13.0703 -13.0703 -13.0191 -13.0191 -13.0191 -13.0191 -2.3872 -2.3872 -2.3872 -2.3872 -0.9665 -0.9665 -0.9665 -0.9665 4.8150 4.8150 4.8150 4.8150 6.3865 6.3865 6.3865 6.3865 6.8204 6.8204 6.8204 6.8204 7.3989 7.3989 7.3989 7.3989 7.7400 7.7400 7.7400 7.7400 8.7661 8.7661 8.7661 8.7661 11.8834 11.8834 11.8834 11.8834 11.9340 11.9340 11.9340 11.9340 k = 0.0000 0.5000 0.1337 ( 4536 PWs) bands (ev): -33.4821 -33.4821 -33.4821 -33.4821 -14.4786 -14.4786 -14.4786 -14.4786 -13.0703 -13.0703 -13.0703 -13.0703 -13.0190 -13.0190 -13.0190 -13.0190 -2.3858 -2.3858 -2.3858 -2.3858 -0.9698 -0.9698 -0.9698 -0.9698 4.8574 4.8574 4.8574 4.8574 6.3172 6.3172 6.3172 6.3172 6.7970 6.7970 6.7970 6.7970 7.3960 7.3960 7.3960 7.3960 7.7471 7.7471 7.7471 7.7471 8.8470 8.8470 8.8470 8.8470 11.8699 11.8699 11.8699 11.8699 11.9243 11.9243 11.9243 11.9243 k = 0.0000 0.5000 0.1471 ( 4538 PWs) bands (ev): -33.4821 -33.4821 -33.4821 -33.4821 -14.4786 -14.4786 -14.4786 -14.4786 -13.0704 -13.0704 -13.0704 -13.0704 -13.0189 -13.0189 -13.0189 -13.0189 -2.3845 -2.3845 -2.3845 -2.3845 -0.9730 -0.9730 -0.9730 -0.9730 4.9022 4.9022 4.9022 4.9022 6.2448 6.2448 6.2448 6.2448 6.7785 6.7785 6.7785 6.7785 7.3936 7.3936 7.3936 7.3936 7.7550 7.7550 7.7550 7.7550 8.9224 8.9224 8.9224 8.9224 11.8373 11.8373 11.8373 11.8373 11.9370 11.9370 11.9370 11.9370 k = 0.0000 0.5000 0.1605 ( 4546 PWs) bands (ev): -33.4821 -33.4821 -33.4821 -33.4821 -14.4786 -14.4786 -14.4786 -14.4786 -13.0704 -13.0704 -13.0704 -13.0704 -13.0189 -13.0189 -13.0189 -13.0189 -2.3832 -2.3832 -2.3832 -2.3832 -0.9760 -0.9760 -0.9760 -0.9760 4.9485 4.9485 4.9485 4.9485 6.1720 6.1720 6.1720 6.1720 6.7638 6.7638 6.7638 6.7638 7.3915 7.3915 7.3915 7.3915 7.7631 7.7631 7.7631 7.7631 8.9909 8.9909 8.9909 8.9909 11.8041 11.8041 11.8041 11.8041 11.9541 11.9541 11.9541 11.9541 k = 0.0000 0.5000 0.1739 ( 4550 PWs) bands (ev): -33.4821 -33.4821 -33.4821 -33.4821 -14.4786 -14.4786 -14.4786 -14.4786 -13.0705 -13.0705 -13.0705 -13.0705 -13.0188 -13.0188 -13.0188 -13.0188 -2.3821 -2.3821 -2.3821 -2.3821 -0.9787 -0.9787 -0.9787 -0.9787 4.9948 4.9948 4.9948 4.9948 6.1016 6.1016 6.1016 6.1016 6.7522 6.7522 6.7522 6.7522 7.3897 7.3897 7.3897 7.3897 7.7709 7.7709 7.7709 7.7709 9.0514 9.0514 9.0514 9.0514 11.7743 11.7743 11.7743 11.7743 11.9718 11.9718 11.9718 11.9718 k = 0.0000 0.5000 0.1872 ( 4542 PWs) bands (ev): -33.4821 -33.4821 -33.4821 -33.4821 -14.4786 -14.4786 -14.4786 -14.4786 -13.0705 -13.0705 -13.0705 -13.0705 -13.0188 -13.0188 -13.0188 -13.0188 -2.3811 -2.3811 -2.3811 -2.3811 -0.9810 -0.9810 -0.9810 -0.9810 5.0395 5.0395 5.0395 5.0395 6.0362 6.0362 6.0362 6.0362 6.7432 6.7432 6.7432 6.7432 7.3882 7.3882 7.3882 7.3882 7.7778 7.7778 7.7778 7.7778 9.1029 9.1029 9.1029 9.1029 11.7489 11.7489 11.7489 11.7489 11.9888 11.9888 11.9888 11.9888 k = 0.0000 0.5000 0.2006 ( 4538 PWs) bands (ev): -33.4821 -33.4821 -33.4821 -33.4821 -14.4786 -14.4786 -14.4786 -14.4786 -13.0706 -13.0706 -13.0706 -13.0706 -13.0188 -13.0188 -13.0188 -13.0188 -2.3803 -2.3803 -2.3803 -2.3803 -0.9829 -0.9829 -0.9829 -0.9829 5.0800 5.0800 5.0800 5.0800 5.9790 5.9790 5.9790 5.9790 6.7365 6.7365 6.7365 6.7365 7.3871 7.3871 7.3871 7.3871 7.7835 7.7835 7.7835 7.7835 9.1441 9.1441 9.1441 9.1441 11.7286 11.7286 11.7286 11.7286 12.0040 12.0040 12.0040 12.0040 k = 0.0000 0.5000 0.2140 ( 4550 PWs) bands (ev): -33.4821 -33.4821 -33.4821 -33.4821 -14.4786 -14.4786 -14.4786 -14.4786 -13.0706 -13.0706 -13.0706 -13.0706 -13.0187 -13.0187 -13.0187 -13.0187 -2.3797 -2.3797 -2.3797 -2.3797 -0.9843 -0.9843 -0.9843 -0.9843 5.1132 5.1132 5.1132 5.1132 5.9336 5.9336 5.9336 5.9336 6.7318 6.7318 6.7318 6.7318 7.3863 7.3863 7.3863 7.3863 7.7878 7.7878 7.7878 7.7878 9.1743 9.1743 9.1743 9.1743 11.7138 11.7138 11.7138 11.7138 12.0162 12.0162 12.0162 12.0162 k = 0.0000 0.5000 0.2274 ( 4544 PWs) bands (ev): -33.4821 -33.4821 -33.4821 -33.4821 -14.4786 -14.4786 -14.4786 -14.4786 -13.0706 -13.0706 -13.0706 -13.0706 -13.0187 -13.0187 -13.0187 -13.0187 -2.3793 -2.3793 -2.3793 -2.3793 -0.9851 -0.9851 -0.9851 -0.9851 5.1353 5.1353 5.1353 5.1353 5.9041 5.9041 5.9041 5.9041 6.7290 6.7290 6.7290 6.7290 7.3858 7.3858 7.3858 7.3858 7.7905 7.7905 7.7905 7.7905 9.1927 9.1927 9.1927 9.1927 11.7048 11.7048 11.7048 11.7048 12.0242 12.0242 12.0242 12.0242 k = 0.0000 0.5000 0.2407 ( 4544 PWs) bands (ev): -33.4821 -33.4821 -33.4821 -33.4821 -14.4786 -14.4786 -14.4786 -14.4786 -13.0706 -13.0706 -13.0706 -13.0706 -13.0187 -13.0187 -13.0187 -13.0187 -2.3792 -2.3792 -2.3792 -2.3792 -0.9854 -0.9854 -0.9854 -0.9854 5.1431 5.1431 5.1431 5.1431 5.8938 5.8938 5.8938 5.8938 6.7281 6.7281 6.7281 6.7281 7.3856 7.3856 7.3856 7.3856 7.7914 7.7914 7.7914 7.7914 9.1989 9.1989 9.1989 9.1989 11.7018 11.7018 11.7018 11.7018 12.0270 12.0270 12.0270 12.0270 k = 0.5000 0.5000-0.0000 ( 4592 PWs) bands (ev): -33.4800 -33.4800 -33.4800 -33.4800 -14.4886 -14.4886 -14.4886 -14.4886 -13.0687 -13.0687 -13.0687 -13.0687 -13.0476 -13.0476 -13.0476 -13.0476 -1.7658 -1.7658 -1.7658 -1.7658 -0.9645 -0.9645 -0.9645 -0.9645 3.0995 3.0995 3.0995 3.0995 5.5813 5.5813 5.5813 5.5813 6.0837 6.0837 6.0837 6.0837 7.0536 7.0536 7.0536 7.0536 7.8679 7.8679 7.8679 7.8679 12.0022 12.0022 12.0022 12.0022 12.4243 12.4243 12.4243 12.4243 12.5058 12.5058 12.5058 12.5058 k = 0.5000 0.5000 0.0134 ( 4592 PWs) bands (ev): -33.4800 -33.4800 -33.4800 -33.4800 -14.4886 -14.4886 -14.4886 -14.4886 -13.0687 -13.0687 -13.0687 -13.0687 -13.0476 -13.0476 -13.0476 -13.0476 -1.7658 -1.7658 -1.7658 -1.7658 -0.9644 -0.9644 -0.9644 -0.9644 3.0988 3.0988 3.0988 3.0988 5.5799 5.5799 5.5799 5.5799 6.0865 6.0865 6.0865 6.0865 7.0560 7.0560 7.0560 7.0560 7.8657 7.8657 7.8657 7.8657 12.0043 12.0043 12.0043 12.0043 12.4236 12.4236 12.4236 12.4236 12.5058 12.5058 12.5058 12.5058 k = 0.5000 0.5000 0.0267 ( 4572 PWs) bands (ev): -33.4799 -33.4799 -33.4799 -33.4799 -14.4886 -14.4886 -14.4886 -14.4886 -13.0687 -13.0687 -13.0687 -13.0687 -13.0476 -13.0476 -13.0476 -13.0476 -1.7658 -1.7658 -1.7658 -1.7658 -0.9641 -0.9641 -0.9641 -0.9641 3.0965 3.0965 3.0965 3.0965 5.5759 5.5759 5.5759 5.5759 6.0949 6.0949 6.0949 6.0949 7.0633 7.0633 7.0633 7.0633 7.8593 7.8593 7.8593 7.8593 12.0103 12.0103 12.0103 12.0103 12.4214 12.4214 12.4214 12.4214 12.5056 12.5056 12.5056 12.5056 k = 0.5000 0.5000 0.0401 ( 4564 PWs) bands (ev): -33.4799 -33.4799 -33.4799 -33.4799 -14.4886 -14.4886 -14.4886 -14.4886 -13.0687 -13.0687 -13.0687 -13.0687 -13.0476 -13.0476 -13.0476 -13.0476 -1.7658 -1.7658 -1.7658 -1.7658 -0.9638 -0.9638 -0.9638 -0.9638 3.0928 3.0928 3.0928 3.0928 5.5695 5.5695 5.5695 5.5695 6.1085 6.1085 6.1085 6.1085 7.0752 7.0752 7.0752 7.0752 7.8489 7.8489 7.8489 7.8489 12.0200 12.0200 12.0200 12.0200 12.4168 12.4168 12.4168 12.4168 12.5053 12.5053 12.5053 12.5053 k = 0.5000 0.5000 0.0535 ( 4572 PWs) bands (ev): -33.4799 -33.4799 -33.4799 -33.4799 -14.4886 -14.4886 -14.4886 -14.4886 -13.0686 -13.0686 -13.0686 -13.0686 -13.0476 -13.0476 -13.0476 -13.0476 -1.7658 -1.7658 -1.7658 -1.7658 -0.9632 -0.9632 -0.9632 -0.9632 3.0877 3.0877 3.0877 3.0877 5.5612 5.5612 5.5612 5.5612 6.1267 6.1267 6.1267 6.1267 7.0912 7.0912 7.0912 7.0912 7.8349 7.8349 7.8349 7.8349 12.0332 12.0332 12.0332 12.0332 12.4077 12.4077 12.4077 12.4077 12.5047 12.5047 12.5047 12.5047 k = 0.5000 0.5000 0.0669 ( 4588 PWs) bands (ev): -33.4799 -33.4799 -33.4799 -33.4799 -14.4886 -14.4886 -14.4886 -14.4886 -13.0686 -13.0686 -13.0686 -13.0686 -13.0476 -13.0476 -13.0476 -13.0476 -1.7659 -1.7659 -1.7659 -1.7659 -0.9625 -0.9625 -0.9625 -0.9625 3.0815 3.0815 3.0815 3.0815 5.5516 5.5516 5.5516 5.5516 6.1489 6.1489 6.1489 6.1489 7.1108 7.1108 7.1108 7.1108 7.8178 7.8178 7.8178 7.8178 12.0494 12.0494 12.0494 12.0494 12.3886 12.3886 12.3886 12.3886 12.5034 12.5034 12.5034 12.5034 k = 0.5000 0.5000 0.0802 ( 4600 PWs) bands (ev): -33.4800 -33.4800 -33.4800 -33.4800 -14.4886 -14.4886 -14.4886 -14.4886 -13.0686 -13.0686 -13.0686 -13.0686 -13.0476 -13.0476 -13.0476 -13.0476 -1.7659 -1.7659 -1.7659 -1.7659 -0.9618 -0.9618 -0.9618 -0.9618 3.0744 3.0744 3.0744 3.0744 5.5411 5.5411 5.5411 5.5411 6.1743 6.1743 6.1743 6.1743 7.1332 7.1332 7.1332 7.1332 7.7982 7.7982 7.7982 7.7982 12.0679 12.0679 12.0679 12.0679 12.3457 12.3457 12.3457 12.3457 12.5003 12.5003 12.5003 12.5003 k = 0.5000 0.5000 0.0936 ( 4608 PWs) bands (ev): -33.4800 -33.4800 -33.4800 -33.4800 -14.4886 -14.4886 -14.4886 -14.4886 -13.0686 -13.0686 -13.0686 -13.0686 -13.0477 -13.0477 -13.0477 -13.0477 -1.7659 -1.7659 -1.7659 -1.7659 -0.9609 -0.9609 -0.9609 -0.9609 3.0666 3.0666 3.0666 3.0666 5.5302 5.5302 5.5302 5.5302 6.2023 6.2023 6.2023 6.2023 7.1574 7.1574 7.1574 7.1574 7.7772 7.7772 7.7772 7.7772 12.0881 12.0881 12.0881 12.0881 12.2651 12.2651 12.2651 12.2651 12.4930 12.4930 12.4930 12.4930 k = 0.5000 0.5000 0.1070 ( 4604 PWs) bands (ev): -33.4800 -33.4800 -33.4800 -33.4800 -14.4886 -14.4886 -14.4886 -14.4886 -13.0686 -13.0686 -13.0686 -13.0686 -13.0477 -13.0477 -13.0477 -13.0477 -1.7659 -1.7659 -1.7659 -1.7659 -0.9600 -0.9600 -0.9600 -0.9600 3.0583 3.0583 3.0583 3.0583 5.5194 5.5194 5.5194 5.5194 6.2322 6.2322 6.2322 6.2322 7.1822 7.1822 7.1822 7.1822 7.7556 7.7556 7.7556 7.7556 12.1082 12.1082 12.1082 12.1082 12.1595 12.1595 12.1595 12.1595 12.4823 12.4823 12.4823 12.4823 k = 0.5000 0.5000 0.1204 ( 4612 PWs) bands (ev): -33.4800 -33.4800 -33.4800 -33.4800 -14.4886 -14.4886 -14.4886 -14.4886 -13.0685 -13.0685 -13.0685 -13.0685 -13.0477 -13.0477 -13.0477 -13.0477 -1.7659 -1.7659 -1.7659 -1.7659 -0.9591 -0.9591 -0.9591 -0.9591 3.0498 3.0498 3.0498 3.0498 5.5088 5.5088 5.5088 5.5088 6.2632 6.2632 6.2632 6.2632 7.2064 7.2064 7.2064 7.2064 7.7347 7.7347 7.7347 7.7347 12.0422 12.0422 12.0422 12.0422 12.1334 12.1334 12.1334 12.1334 12.4745 12.4745 12.4745 12.4745 k = 0.5000 0.5000 0.1337 ( 4584 PWs) bands (ev): -33.4799 -33.4799 -33.4799 -33.4799 -14.4886 -14.4886 -14.4886 -14.4886 -13.0685 -13.0685 -13.0685 -13.0685 -13.0477 -13.0477 -13.0477 -13.0477 -1.7659 -1.7659 -1.7659 -1.7659 -0.9581 -0.9581 -0.9581 -0.9581 3.0414 3.0414 3.0414 3.0414 5.4988 5.4988 5.4988 5.4988 6.2946 6.2946 6.2946 6.2946 7.2283 7.2283 7.2283 7.2283 7.7157 7.7157 7.7157 7.7157 11.9312 11.9312 11.9312 11.9312 12.1546 12.1546 12.1546 12.1546 12.4697 12.4697 12.4697 12.4697 k = 0.5000 0.5000 0.1471 ( 4592 PWs) bands (ev): -33.4800 -33.4800 -33.4800 -33.4800 -14.4886 -14.4886 -14.4886 -14.4886 -13.0685 -13.0685 -13.0685 -13.0685 -13.0478 -13.0478 -13.0478 -13.0478 -1.7659 -1.7659 -1.7659 -1.7659 -0.9572 -0.9572 -0.9572 -0.9572 3.0333 3.0333 3.0333 3.0333 5.4896 5.4896 5.4896 5.4896 6.3258 6.3258 6.3258 6.3258 7.2466 7.2466 7.2466 7.2466 7.7001 7.7001 7.7001 7.7001 11.8267 11.8267 11.8267 11.8267 12.1754 12.1754 12.1754 12.1754 12.4668 12.4668 12.4668 12.4668 k = 0.5000 0.5000 0.1605 ( 4596 PWs) bands (ev): -33.4800 -33.4800 -33.4800 -33.4800 -14.4886 -14.4886 -14.4886 -14.4886 -13.0685 -13.0685 -13.0685 -13.0685 -13.0478 -13.0478 -13.0478 -13.0478 -1.7660 -1.7660 -1.7660 -1.7660 -0.9564 -0.9564 -0.9564 -0.9564 3.0257 3.0257 3.0257 3.0257 5.4814 5.4814 5.4814 5.4814 6.3557 6.3557 6.3557 6.3557 7.2601 7.2601 7.2601 7.2601 7.6887 7.6887 7.6887 7.6887 11.7317 11.7317 11.7317 11.7317 12.1948 12.1948 12.1948 12.1948 12.4651 12.4651 12.4651 12.4651 k = 0.5000 0.5000 0.1739 ( 4596 PWs) bands (ev): -33.4800 -33.4800 -33.4800 -33.4800 -14.4886 -14.4886 -14.4886 -14.4886 -13.0684 -13.0684 -13.0684 -13.0684 -13.0478 -13.0478 -13.0478 -13.0478 -1.7660 -1.7660 -1.7660 -1.7660 -0.9556 -0.9556 -0.9556 -0.9556 3.0189 3.0189 3.0189 3.0189 5.4742 5.4742 5.4742 5.4742 6.3836 6.3836 6.3836 6.3836 7.2683 7.2683 7.2683 7.2683 7.6819 7.6819 7.6819 7.6819 11.6481 11.6481 11.6481 11.6481 12.2122 12.2122 12.2122 12.2122 12.4640 12.4640 12.4640 12.4640 k = 0.5000 0.5000 0.1872 ( 4592 PWs) bands (ev): -33.4800 -33.4800 -33.4800 -33.4800 -14.4886 -14.4886 -14.4886 -14.4886 -13.0684 -13.0684 -13.0684 -13.0684 -13.0478 -13.0478 -13.0478 -13.0478 -1.7660 -1.7660 -1.7660 -1.7660 -0.9549 -0.9549 -0.9549 -0.9549 3.0131 3.0131 3.0131 3.0131 5.4683 5.4683 5.4683 5.4683 6.4085 6.4085 6.4085 6.4085 7.2717 7.2717 7.2717 7.2717 7.6793 7.6793 7.6793 7.6793 11.5775 11.5775 11.5775 11.5775 12.2270 12.2270 12.2270 12.2270 12.4633 12.4633 12.4633 12.4633 k = 0.5000 0.5000 0.2006 ( 4584 PWs) bands (ev): -33.4799 -33.4799 -33.4799 -33.4799 -14.4886 -14.4886 -14.4886 -14.4886 -13.0684 -13.0684 -13.0684 -13.0684 -13.0478 -13.0478 -13.0478 -13.0478 -1.7660 -1.7660 -1.7660 -1.7660 -0.9544 -0.9544 -0.9544 -0.9544 3.0084 3.0084 3.0084 3.0084 5.4636 5.4636 5.4636 5.4636 6.4293 6.4293 6.4293 6.4293 7.2716 7.2716 7.2716 7.2716 7.6797 7.6797 7.6797 7.6797 11.5212 11.5212 11.5212 11.5212 12.2390 12.2390 12.2390 12.2390 12.4629 12.4629 12.4629 12.4629 k = 0.5000 0.5000 0.2140 ( 4576 PWs) bands (ev): -33.4799 -33.4799 -33.4799 -33.4799 -14.4886 -14.4886 -14.4886 -14.4886 -13.0684 -13.0684 -13.0684 -13.0684 -13.0479 -13.0479 -13.0479 -13.0479 -1.7660 -1.7660 -1.7660 -1.7660 -0.9540 -0.9540 -0.9540 -0.9540 3.0049 3.0049 3.0049 3.0049 5.4602 5.4602 5.4602 5.4602 6.4450 6.4450 6.4450 6.4450 7.2698 7.2698 7.2698 7.2698 7.6815 7.6815 7.6815 7.6815 11.4801 11.4801 11.4801 11.4801 12.2478 12.2478 12.2478 12.2478 12.4627 12.4627 12.4627 12.4627 k = 0.5000 0.5000 0.2274 ( 4584 PWs) bands (ev): -33.4799 -33.4799 -33.4799 -33.4799 -14.4886 -14.4886 -14.4886 -14.4886 -13.0684 -13.0684 -13.0684 -13.0684 -13.0479 -13.0479 -13.0479 -13.0479 -1.7660 -1.7660 -1.7660 -1.7660 -0.9537 -0.9537 -0.9537 -0.9537 3.0028 3.0028 3.0028 3.0028 5.4581 5.4581 5.4581 5.4581 6.4548 6.4548 6.4548 6.4548 7.2679 7.2679 7.2679 7.2679 7.6832 7.6832 7.6832 7.6832 11.4552 11.4552 11.4552 11.4552 12.2531 12.2531 12.2531 12.2531 12.4626 12.4626 12.4626 12.4626 k = 0.5000 0.5000 0.2407 ( 4584 PWs) bands (ev): -33.4799 -33.4799 -33.4799 -33.4799 -14.4886 -14.4886 -14.4886 -14.4886 -13.0684 -13.0684 -13.0684 -13.0684 -13.0479 -13.0479 -13.0479 -13.0479 -1.7660 -1.7660 -1.7660 -1.7660 -0.9536 -0.9536 -0.9536 -0.9536 3.0021 3.0021 3.0021 3.0021 5.4574 5.4574 5.4574 5.4574 6.4582 6.4582 6.4582 6.4582 7.2671 7.2671 7.2671 7.2671 7.6839 7.6839 7.6839 7.6839 11.4468 11.4468 11.4468 11.4468 12.2549 12.2549 12.2549 12.2549 12.4626 12.4626 12.4626 12.4626 Writing output data file YTe2.save init_run : 0.40s CPU 0.54s WALL ( 1 calls) electrons : 226.04s CPU 231.84s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 226.04s CPU 231.83s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.09s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.08s WALL ( 315 calls) cegterg : 209.92s CPU 213.09s WALL ( 684 calls) Called by sum_band: Called by *egterg: h_psi : 99.16s CPU 101.31s WALL ( 11925 calls) s_psi : 10.70s CPU 10.75s WALL ( 11925 calls) g_psi : 0.32s CPU 0.33s WALL ( 10926 calls) cdiaghg : 85.66s CPU 86.52s WALL ( 11241 calls) cegterg:over : 8.78s CPU 9.19s WALL ( 10926 calls) cegterg:upda : 9.04s CPU 9.14s WALL ( 10926 calls) cegterg:last : 4.44s CPU 4.48s WALL ( 1600 calls) cdiaghg:chol : 5.16s CPU 4.95s WALL ( 11241 calls) cdiaghg:inve : 3.24s CPU 3.27s WALL ( 11241 calls) cdiaghg:para : 5.54s CPU 5.35s WALL ( 22482 calls) Called by h_psi: h_psi:vloc : 75.84s CPU 77.78s WALL ( 11925 calls) h_psi:vnl : 22.99s CPU 23.19s WALL ( 11925 calls) add_vuspsi : 12.62s CPU 12.76s WALL ( 11925 calls) General routines calbec : 10.34s CPU 10.40s WALL ( 11925 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 70.16s CPU 72.02s WALL ( 1043168 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.20s CPU 0.28s WALL ( 630 calls) Parallel routines fft_scatter : 28.81s CPU 29.53s WALL ( 1043191 calls) PWSCF : 4m 3.56s CPU 4m23.14s WALL This run was terminated on: 21:22:23 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=