Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18: 0:35 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Li2HfF6.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S 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 70 70 19 2635 2635 383 Max 72 72 20 2638 2638 388 Sum 2527 2527 691 94923 94923 13859 bravais-lattice index = 14 lattice parameter (alat) = 9.4010 a.u. unit-cell volume = 671.8228 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 3 number of electrons = 60.00 number of Kohn-Sham states= 72 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.401009 celldm(2)= 1.000000 celldm(3)= 0.933686 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 0.933686 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 1.071024 ) PseudoPot. # 1 for Hf read from file: /users/gautes/Pseudo/Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: fb4a78a955dff820df95c575f14a6778 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1271 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Hf 12.00 178.49000 Hf( 1.00) F 7.00 18.99840 F( 1.00) Li 3.00 6.94100 Li( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,1,0] cryst. s( 2) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [2,1,0] cryst. s( 6) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 8) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 8) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(12) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 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 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 -6 -5 180 deg rotation - cart. axis [0,1,0] 3C2' 5 6 -2 180 deg rotation - cryst. axis [1,-1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 -12 -11 inv. 180 deg rotation - cart. axis [0,1,0] 3s_v 11 12 -8 inv. 180 deg rotation - cryst. axis [1,-1,0] 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) = ( 0.0135135 0.0078020 -0.0000000), wk = 0.0031746 k( 3) = ( 0.0270270 0.0156041 -0.0000000), wk = 0.0031746 k( 4) = ( 0.0405405 0.0234061 -0.0000000), wk = 0.0031746 k( 5) = ( 0.0540540 0.0312081 -0.0000000), wk = 0.0031746 k( 6) = ( 0.0675676 0.0390102 -0.0000000), wk = 0.0031746 k( 7) = ( 0.0810811 0.0468122 -0.0000000), wk = 0.0031746 k( 8) = ( 0.0945946 0.0546142 -0.0000000), wk = 0.0031746 k( 9) = ( 0.1081081 0.0624162 -0.0000000), wk = 0.0031746 k( 10) = ( 0.1216216 0.0702183 -0.0000000), wk = 0.0031746 k( 11) = ( 0.1351351 0.0780203 -0.0000000), wk = 0.0031746 k( 12) = ( 0.1486486 0.0858223 -0.0000000), wk = 0.0031746 k( 13) = ( 0.1621622 0.0936244 -0.0000000), wk = 0.0031746 k( 14) = ( 0.1756757 0.1014264 -0.0000000), wk = 0.0031746 k( 15) = ( 0.1891892 0.1092284 -0.0000000), wk = 0.0031746 k( 16) = ( 0.2027027 0.1170305 -0.0000000), wk = 0.0031746 k( 17) = ( 0.2162162 0.1248325 -0.0000000), wk = 0.0031746 k( 18) = ( 0.2297297 0.1326345 -0.0000000), wk = 0.0031746 k( 19) = ( 0.2432432 0.1404366 -0.0000000), wk = 0.0031746 k( 20) = ( 0.2567568 0.1482386 -0.0000000), wk = 0.0031746 k( 21) = ( 0.2702703 0.1560406 -0.0000000), wk = 0.0031746 k( 22) = ( 0.2837838 0.1638426 -0.0000000), wk = 0.0031746 k( 23) = ( 0.2972973 0.1716447 -0.0000000), wk = 0.0031746 k( 24) = ( 0.3108108 0.1794467 -0.0000000), wk = 0.0031746 k( 25) = ( 0.3243243 0.1872487 -0.0000000), wk = 0.0031746 k( 26) = ( 0.3378378 0.1950508 -0.0000000), wk = 0.0031746 k( 27) = ( 0.3513514 0.2028528 -0.0000000), wk = 0.0031746 k( 28) = ( 0.3648649 0.2106548 -0.0000000), wk = 0.0031746 k( 29) = ( 0.3783784 0.2184569 -0.0000000), wk = 0.0031746 k( 30) = ( 0.3918919 0.2262589 -0.0000000), wk = 0.0031746 k( 31) = ( 0.4054054 0.2340609 -0.0000000), wk = 0.0031746 k( 32) = ( 0.4189189 0.2418630 -0.0000000), wk = 0.0031746 k( 33) = ( 0.4324324 0.2496650 -0.0000000), wk = 0.0031746 k( 34) = ( 0.4459459 0.2574670 -0.0000000), wk = 0.0031746 k( 35) = ( 0.4594595 0.2652690 -0.0000000), wk = 0.0031746 k( 36) = ( 0.4729730 0.2730711 -0.0000000), wk = 0.0031746 k( 37) = ( 0.4864865 0.2808731 -0.0000000), wk = 0.0031746 k( 38) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031746 k( 39) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031746 k( 40) = ( 0.4924242 0.3017967 -0.0000000), wk = 0.0031746 k( 41) = ( 0.4848485 0.3149183 -0.0000000), wk = 0.0031746 k( 42) = ( 0.4772727 0.3280399 -0.0000000), wk = 0.0031746 k( 43) = ( 0.4696970 0.3411615 -0.0000000), wk = 0.0031746 k( 44) = ( 0.4621212 0.3542831 -0.0000000), wk = 0.0031746 k( 45) = ( 0.4545455 0.3674047 -0.0000000), wk = 0.0031746 k( 46) = ( 0.4469697 0.3805263 -0.0000000), wk = 0.0031746 k( 47) = ( 0.4393939 0.3936479 -0.0000000), wk = 0.0031746 k( 48) = ( 0.4318182 0.4067695 -0.0000000), wk = 0.0031746 k( 49) = ( 0.4242424 0.4198911 -0.0000000), wk = 0.0031746 k( 50) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0031746 k( 51) = ( 0.4090909 0.4461343 -0.0000000), wk = 0.0031746 k( 52) = ( 0.4015151 0.4592559 -0.0000000), wk = 0.0031746 k( 53) = ( 0.3939394 0.4723775 -0.0000000), wk = 0.0031746 k( 54) = ( 0.3863636 0.4854991 -0.0000000), wk = 0.0031746 k( 55) = ( 0.3787879 0.4986207 -0.0000000), wk = 0.0031746 k( 56) = ( 0.3712121 0.5117423 -0.0000000), wk = 0.0031746 k( 57) = ( 0.3636364 0.5248639 -0.0000000), wk = 0.0031746 k( 58) = ( 0.3560606 0.5379855 -0.0000000), wk = 0.0031746 k( 59) = ( 0.3484849 0.5511071 -0.0000000), wk = 0.0031746 k( 60) = ( 0.3409091 0.5642287 -0.0000000), wk = 0.0031746 k( 61) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031746 k( 62) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031746 k( 63) = ( 0.3255814 0.5639235 -0.0000000), wk = 0.0031746 k( 64) = ( 0.3178295 0.5504968 -0.0000000), wk = 0.0031746 k( 65) = ( 0.3100775 0.5370700 -0.0000000), wk = 0.0031746 k( 66) = ( 0.3023256 0.5236433 -0.0000000), wk = 0.0031746 k( 67) = ( 0.2945736 0.5102165 -0.0000000), wk = 0.0031746 k( 68) = ( 0.2868217 0.4967898 -0.0000000), wk = 0.0031746 k( 69) = ( 0.2790698 0.4833630 -0.0000000), wk = 0.0031746 k( 70) = ( 0.2713178 0.4699363 -0.0000000), wk = 0.0031746 k( 71) = ( 0.2635659 0.4565095 -0.0000000), wk = 0.0031746 k( 72) = ( 0.2558140 0.4430828 -0.0000000), wk = 0.0031746 k( 73) = ( 0.2480620 0.4296560 -0.0000000), wk = 0.0031746 k( 74) = ( 0.2403101 0.4162293 -0.0000000), wk = 0.0031746 k( 75) = ( 0.2325581 0.4028025 -0.0000000), wk = 0.0031746 k( 76) = ( 0.2248062 0.3893758 -0.0000000), wk = 0.0031746 k( 77) = ( 0.2170543 0.3759490 -0.0000000), wk = 0.0031746 k( 78) = ( 0.2093023 0.3625223 -0.0000000), wk = 0.0031746 k( 79) = ( 0.2015504 0.3490955 -0.0000000), wk = 0.0031746 k( 80) = ( 0.1937985 0.3356688 -0.0000000), wk = 0.0031746 k( 81) = ( 0.1860465 0.3222420 -0.0000000), wk = 0.0031746 k( 82) = ( 0.1782946 0.3088153 -0.0000000), wk = 0.0031746 k( 83) = ( 0.1705426 0.2953885 -0.0000000), wk = 0.0031746 k( 84) = ( 0.1627907 0.2819618 -0.0000000), wk = 0.0031746 k( 85) = ( 0.1550388 0.2685350 -0.0000000), wk = 0.0031746 k( 86) = ( 0.1472868 0.2551083 -0.0000000), wk = 0.0031746 k( 87) = ( 0.1395349 0.2416815 -0.0000000), wk = 0.0031746 k( 88) = ( 0.1317830 0.2282548 -0.0000000), wk = 0.0031746 k( 89) = ( 0.1240310 0.2148280 -0.0000000), wk = 0.0031746 k( 90) = ( 0.1162791 0.2014013 -0.0000000), wk = 0.0031746 k( 91) = ( 0.1085271 0.1879745 -0.0000000), wk = 0.0031746 k( 92) = ( 0.1007752 0.1745477 -0.0000000), wk = 0.0031746 k( 93) = ( 0.0930233 0.1611210 -0.0000000), wk = 0.0031746 k( 94) = ( 0.0852713 0.1476943 -0.0000000), wk = 0.0031746 k( 95) = ( 0.0775194 0.1342675 -0.0000000), wk = 0.0031746 k( 96) = ( 0.0697674 0.1208408 -0.0000000), wk = 0.0031746 k( 97) = ( 0.0620155 0.1074140 -0.0000000), wk = 0.0031746 k( 98) = ( 0.0542636 0.0939873 -0.0000000), wk = 0.0031746 k( 99) = ( 0.0465116 0.0805605 -0.0000000), wk = 0.0031746 k( 100) = ( 0.0387597 0.0671338 -0.0000000), wk = 0.0031746 k( 101) = ( 0.0310078 0.0537070 -0.0000000), wk = 0.0031746 k( 102) = ( 0.0232558 0.0402802 -0.0000000), wk = 0.0031746 k( 103) = ( 0.0155039 0.0268535 -0.0000000), wk = 0.0031746 k( 104) = ( 0.0077519 0.0134268 -0.0000000), wk = 0.0031746 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 107) = ( 0.0000000 0.0000000 0.0157504), wk = 0.0031746 k( 108) = ( 0.0000000 0.0000000 0.0315007), wk = 0.0031746 k( 109) = ( 0.0000000 0.0000000 0.0472511), wk = 0.0031746 k( 110) = ( 0.0000000 0.0000000 0.0630014), wk = 0.0031746 k( 111) = ( 0.0000000 0.0000000 0.0787518), wk = 0.0031746 k( 112) = ( 0.0000000 0.0000000 0.0945021), wk = 0.0031746 k( 113) = ( 0.0000000 0.0000000 0.1102525), wk = 0.0031746 k( 114) = ( 0.0000000 0.0000000 0.1260028), wk = 0.0031746 k( 115) = ( 0.0000000 0.0000000 0.1417532), wk = 0.0031746 k( 116) = ( 0.0000000 0.0000000 0.1575035), wk = 0.0031746 k( 117) = ( 0.0000000 0.0000000 0.1732539), wk = 0.0031746 k( 118) = ( 0.0000000 0.0000000 0.1890043), wk = 0.0031746 k( 119) = ( 0.0000000 0.0000000 0.2047546), wk = 0.0031746 k( 120) = ( 0.0000000 0.0000000 0.2205050), wk = 0.0031746 k( 121) = ( 0.0000000 0.0000000 0.2362553), wk = 0.0031746 k( 122) = ( 0.0000000 0.0000000 0.2520057), wk = 0.0031746 k( 123) = ( 0.0000000 0.0000000 0.2677560), wk = 0.0031746 k( 124) = ( 0.0000000 0.0000000 0.2835064), wk = 0.0031746 k( 125) = ( 0.0000000 0.0000000 0.2992567), wk = 0.0031746 k( 126) = ( 0.0000000 0.0000000 0.3150071), wk = 0.0031746 k( 127) = ( 0.0000000 0.0000000 0.3307575), wk = 0.0031746 k( 128) = ( 0.0000000 0.0000000 0.3465078), wk = 0.0031746 k( 129) = ( 0.0000000 0.0000000 0.3622582), wk = 0.0031746 k( 130) = ( 0.0000000 0.0000000 0.3780085), wk = 0.0031746 k( 131) = ( 0.0000000 0.0000000 0.3937589), wk = 0.0031746 k( 132) = ( 0.0000000 0.0000000 0.4095092), wk = 0.0031746 k( 133) = ( 0.0000000 0.0000000 0.4252596), wk = 0.0031746 k( 134) = ( 0.0000000 0.0000000 0.4410099), wk = 0.0031746 k( 135) = ( 0.0000000 0.0000000 0.4567603), wk = 0.0031746 k( 136) = ( 0.0000000 0.0000000 0.4725106), wk = 0.0031746 k( 137) = ( 0.0000000 0.0000000 0.4882610), wk = 0.0031746 k( 138) = ( 0.0000000 0.0000000 0.5040114), wk = 0.0031746 k( 139) = ( 0.0000000 0.0000000 0.5197617), wk = 0.0031746 k( 140) = ( 0.0000000 0.0000000 0.5355121), wk = 0.0031746 k( 141) = ( 0.0000000 0.0000000 0.5355121), wk = 0.0031746 k( 142) = ( 0.0135135 0.0078020 0.5355121), wk = 0.0031746 k( 143) = ( 0.0270270 0.0156041 0.5355121), wk = 0.0031746 k( 144) = ( 0.0405405 0.0234061 0.5355121), wk = 0.0031746 k( 145) = ( 0.0540540 0.0312081 0.5355121), wk = 0.0031746 k( 146) = ( 0.0675676 0.0390102 0.5355121), wk = 0.0031746 k( 147) = ( 0.0810811 0.0468122 0.5355121), wk = 0.0031746 k( 148) = ( 0.0945946 0.0546142 0.5355121), wk = 0.0031746 k( 149) = ( 0.1081081 0.0624162 0.5355121), wk = 0.0031746 k( 150) = ( 0.1216216 0.0702183 0.5355121), wk = 0.0031746 k( 151) = ( 0.1351351 0.0780203 0.5355121), wk = 0.0031746 k( 152) = ( 0.1486486 0.0858223 0.5355121), wk = 0.0031746 k( 153) = ( 0.1621622 0.0936244 0.5355121), wk = 0.0031746 k( 154) = ( 0.1756757 0.1014264 0.5355121), wk = 0.0031746 k( 155) = ( 0.1891892 0.1092284 0.5355121), wk = 0.0031746 k( 156) = ( 0.2027027 0.1170305 0.5355121), wk = 0.0031746 k( 157) = ( 0.2162162 0.1248325 0.5355121), wk = 0.0031746 k( 158) = ( 0.2297297 0.1326345 0.5355121), wk = 0.0031746 k( 159) = ( 0.2432432 0.1404366 0.5355121), wk = 0.0031746 k( 160) = ( 0.2567568 0.1482386 0.5355121), wk = 0.0031746 k( 161) = ( 0.2702703 0.1560406 0.5355121), wk = 0.0031746 k( 162) = ( 0.2837838 0.1638426 0.5355121), wk = 0.0031746 k( 163) = ( 0.2972973 0.1716447 0.5355121), wk = 0.0031746 k( 164) = ( 0.3108108 0.1794467 0.5355121), wk = 0.0031746 k( 165) = ( 0.3243243 0.1872487 0.5355121), wk = 0.0031746 k( 166) = ( 0.3378378 0.1950508 0.5355121), wk = 0.0031746 k( 167) = ( 0.3513514 0.2028528 0.5355121), wk = 0.0031746 k( 168) = ( 0.3648649 0.2106548 0.5355121), wk = 0.0031746 k( 169) = ( 0.3783784 0.2184569 0.5355121), wk = 0.0031746 k( 170) = ( 0.3918919 0.2262589 0.5355121), wk = 0.0031746 k( 171) = ( 0.4054054 0.2340609 0.5355121), wk = 0.0031746 k( 172) = ( 0.4189189 0.2418630 0.5355121), wk = 0.0031746 k( 173) = ( 0.4324324 0.2496650 0.5355121), wk = 0.0031746 k( 174) = ( 0.4459459 0.2574670 0.5355121), wk = 0.0031746 k( 175) = ( 0.4594595 0.2652690 0.5355121), wk = 0.0031746 k( 176) = ( 0.4729730 0.2730711 0.5355121), wk = 0.0031746 k( 177) = ( 0.4864865 0.2808731 0.5355121), wk = 0.0031746 k( 178) = ( 0.5000000 0.2886751 0.5355121), wk = 0.0031746 k( 179) = ( 0.5000000 0.2886751 0.5355121), wk = 0.0031746 k( 180) = ( 0.4924242 0.3017967 0.5355121), wk = 0.0031746 k( 181) = ( 0.4848485 0.3149183 0.5355121), wk = 0.0031746 k( 182) = ( 0.4772727 0.3280399 0.5355121), wk = 0.0031746 k( 183) = ( 0.4696970 0.3411615 0.5355121), wk = 0.0031746 k( 184) = ( 0.4621212 0.3542831 0.5355121), wk = 0.0031746 k( 185) = ( 0.4545455 0.3674047 0.5355121), wk = 0.0031746 k( 186) = ( 0.4469697 0.3805263 0.5355121), wk = 0.0031746 k( 187) = ( 0.4393939 0.3936479 0.5355121), wk = 0.0031746 k( 188) = ( 0.4318182 0.4067695 0.5355121), wk = 0.0031746 k( 189) = ( 0.4242424 0.4198911 0.5355121), wk = 0.0031746 k( 190) = ( 0.4166667 0.4330127 0.5355121), wk = 0.0031746 k( 191) = ( 0.4090909 0.4461343 0.5355121), wk = 0.0031746 k( 192) = ( 0.4015151 0.4592559 0.5355121), wk = 0.0031746 k( 193) = ( 0.3939394 0.4723775 0.5355121), wk = 0.0031746 k( 194) = ( 0.3863636 0.4854991 0.5355121), wk = 0.0031746 k( 195) = ( 0.3787879 0.4986207 0.5355121), wk = 0.0031746 k( 196) = ( 0.3712121 0.5117423 0.5355121), wk = 0.0031746 k( 197) = ( 0.3636364 0.5248639 0.5355121), wk = 0.0031746 k( 198) = ( 0.3560606 0.5379855 0.5355121), wk = 0.0031746 k( 199) = ( 0.3484849 0.5511071 0.5355121), wk = 0.0031746 k( 200) = ( 0.3409091 0.5642287 0.5355121), wk = 0.0031746 k( 201) = ( 0.3333333 0.5773503 0.5355121), wk = 0.0031746 k( 202) = ( 0.3333333 0.5773503 0.5355121), wk = 0.0031746 k( 203) = ( 0.3255814 0.5639235 0.5355121), wk = 0.0031746 k( 204) = ( 0.3178295 0.5504968 0.5355121), wk = 0.0031746 k( 205) = ( 0.3100775 0.5370700 0.5355121), wk = 0.0031746 k( 206) = ( 0.3023256 0.5236433 0.5355121), wk = 0.0031746 k( 207) = ( 0.2945736 0.5102165 0.5355121), wk = 0.0031746 k( 208) = ( 0.2868217 0.4967898 0.5355121), wk = 0.0031746 k( 209) = ( 0.2790698 0.4833630 0.5355121), wk = 0.0031746 k( 210) = ( 0.2713178 0.4699363 0.5355121), wk = 0.0031746 k( 211) = ( 0.2635659 0.4565095 0.5355121), wk = 0.0031746 k( 212) = ( 0.2558140 0.4430828 0.5355121), wk = 0.0031746 k( 213) = ( 0.2480620 0.4296560 0.5355121), wk = 0.0031746 k( 214) = ( 0.2403101 0.4162293 0.5355121), wk = 0.0031746 k( 215) = ( 0.2325581 0.4028025 0.5355121), wk = 0.0031746 k( 216) = ( 0.2248062 0.3893758 0.5355121), wk = 0.0031746 k( 217) = ( 0.2170543 0.3759490 0.5355121), wk = 0.0031746 k( 218) = ( 0.2093023 0.3625223 0.5355121), wk = 0.0031746 k( 219) = ( 0.2015504 0.3490955 0.5355121), wk = 0.0031746 k( 220) = ( 0.1937985 0.3356688 0.5355121), wk = 0.0031746 k( 221) = ( 0.1860465 0.3222420 0.5355121), wk = 0.0031746 k( 222) = ( 0.1782946 0.3088153 0.5355121), wk = 0.0031746 k( 223) = ( 0.1705426 0.2953885 0.5355121), wk = 0.0031746 k( 224) = ( 0.1627907 0.2819618 0.5355121), wk = 0.0031746 k( 225) = ( 0.1550388 0.2685350 0.5355121), wk = 0.0031746 k( 226) = ( 0.1472868 0.2551083 0.5355121), wk = 0.0031746 k( 227) = ( 0.1395349 0.2416815 0.5355121), wk = 0.0031746 k( 228) = ( 0.1317830 0.2282548 0.5355121), wk = 0.0031746 k( 229) = ( 0.1240310 0.2148280 0.5355121), wk = 0.0031746 k( 230) = ( 0.1162791 0.2014013 0.5355121), wk = 0.0031746 k( 231) = ( 0.1085271 0.1879745 0.5355121), wk = 0.0031746 k( 232) = ( 0.1007752 0.1745477 0.5355121), wk = 0.0031746 k( 233) = ( 0.0930233 0.1611210 0.5355121), wk = 0.0031746 k( 234) = ( 0.0852713 0.1476943 0.5355121), wk = 0.0031746 k( 235) = ( 0.0775194 0.1342675 0.5355121), wk = 0.0031746 k( 236) = ( 0.0697674 0.1208408 0.5355121), wk = 0.0031746 k( 237) = ( 0.0620155 0.1074140 0.5355121), wk = 0.0031746 k( 238) = ( 0.0542636 0.0939873 0.5355121), wk = 0.0031746 k( 239) = ( 0.0465116 0.0805605 0.5355121), wk = 0.0031746 k( 240) = ( 0.0387597 0.0671338 0.5355121), wk = 0.0031746 k( 241) = ( 0.0310078 0.0537070 0.5355121), wk = 0.0031746 k( 242) = ( 0.0232558 0.0402802 0.5355121), wk = 0.0031746 k( 243) = ( 0.0155039 0.0268535 0.5355121), wk = 0.0031746 k( 244) = ( 0.0077519 0.0134268 0.5355121), wk = 0.0031746 k( 245) = ( 0.0000000 0.0000000 0.5355121), wk = 0.0031746 k( 246) = ( 0.5000000 0.2886751 0.5355121), wk = 0.0031746 k( 247) = ( 0.5000000 0.2886751 0.5197617), wk = 0.0031746 k( 248) = ( 0.5000000 0.2886751 0.5040114), wk = 0.0031746 k( 249) = ( 0.5000000 0.2886751 0.4882610), wk = 0.0031746 k( 250) = ( 0.5000000 0.2886751 0.4725106), wk = 0.0031746 k( 251) = ( 0.5000000 0.2886751 0.4567603), wk = 0.0031746 k( 252) = ( 0.5000000 0.2886751 0.4410099), wk = 0.0031746 k( 253) = ( 0.5000000 0.2886751 0.4252596), wk = 0.0031746 k( 254) = ( 0.5000000 0.2886751 0.4095092), wk = 0.0031746 k( 255) = ( 0.5000000 0.2886751 0.3937589), wk = 0.0031746 k( 256) = ( 0.5000000 0.2886751 0.3780085), wk = 0.0031746 k( 257) = ( 0.5000000 0.2886751 0.3622582), wk = 0.0031746 k( 258) = ( 0.5000000 0.2886751 0.3465078), wk = 0.0031746 k( 259) = ( 0.5000000 0.2886751 0.3307575), wk = 0.0031746 k( 260) = ( 0.5000000 0.2886751 0.3150071), wk = 0.0031746 k( 261) = ( 0.5000000 0.2886751 0.2992567), wk = 0.0031746 k( 262) = ( 0.5000000 0.2886751 0.2835064), wk = 0.0031746 k( 263) = ( 0.5000000 0.2886751 0.2677560), wk = 0.0031746 k( 264) = ( 0.5000000 0.2886751 0.2520057), wk = 0.0031746 k( 265) = ( 0.5000000 0.2886751 0.2362553), wk = 0.0031746 k( 266) = ( 0.5000000 0.2886751 0.2205050), wk = 0.0031746 k( 267) = ( 0.5000000 0.2886751 0.2047546), wk = 0.0031746 k( 268) = ( 0.5000000 0.2886751 0.1890043), wk = 0.0031746 k( 269) = ( 0.5000000 0.2886751 0.1732539), wk = 0.0031746 k( 270) = ( 0.5000000 0.2886751 0.1575035), wk = 0.0031746 k( 271) = ( 0.5000000 0.2886751 0.1417532), wk = 0.0031746 k( 272) = ( 0.5000000 0.2886751 0.1260028), wk = 0.0031746 k( 273) = ( 0.5000000 0.2886751 0.1102525), wk = 0.0031746 k( 274) = ( 0.5000000 0.2886751 0.0945021), wk = 0.0031746 k( 275) = ( 0.5000000 0.2886751 0.0787518), wk = 0.0031746 k( 276) = ( 0.5000000 0.2886751 0.0630014), wk = 0.0031746 k( 277) = ( 0.5000000 0.2886751 0.0472511), wk = 0.0031746 k( 278) = ( 0.5000000 0.2886751 0.0315007), wk = 0.0031746 k( 279) = ( 0.5000000 0.2886751 0.0157504), wk = 0.0031746 k( 280) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031746 k( 281) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031746 k( 282) = ( 0.3333333 0.5773503 0.0157504), wk = 0.0031746 k( 283) = ( 0.3333333 0.5773503 0.0315007), wk = 0.0031746 k( 284) = ( 0.3333333 0.5773503 0.0472511), wk = 0.0031746 k( 285) = ( 0.3333333 0.5773503 0.0630014), wk = 0.0031746 k( 286) = ( 0.3333333 0.5773503 0.0787518), wk = 0.0031746 k( 287) = ( 0.3333333 0.5773503 0.0945021), wk = 0.0031746 k( 288) = ( 0.3333333 0.5773503 0.1102525), wk = 0.0031746 k( 289) = ( 0.3333333 0.5773503 0.1260028), wk = 0.0031746 k( 290) = ( 0.3333333 0.5773503 0.1417532), wk = 0.0031746 k( 291) = ( 0.3333333 0.5773503 0.1575035), wk = 0.0031746 k( 292) = ( 0.3333333 0.5773503 0.1732539), wk = 0.0031746 k( 293) = ( 0.3333333 0.5773503 0.1890043), wk = 0.0031746 k( 294) = ( 0.3333333 0.5773503 0.2047546), wk = 0.0031746 k( 295) = ( 0.3333333 0.5773503 0.2205050), wk = 0.0031746 k( 296) = ( 0.3333333 0.5773503 0.2362553), wk = 0.0031746 k( 297) = ( 0.3333333 0.5773503 0.2520057), wk = 0.0031746 k( 298) = ( 0.3333333 0.5773503 0.2677560), wk = 0.0031746 k( 299) = ( 0.3333333 0.5773503 0.2835064), wk = 0.0031746 k( 300) = ( 0.3333333 0.5773503 0.2992567), wk = 0.0031746 k( 301) = ( 0.3333333 0.5773503 0.3150071), wk = 0.0031746 k( 302) = ( 0.3333333 0.5773503 0.3307575), wk = 0.0031746 k( 303) = ( 0.3333333 0.5773503 0.3465078), wk = 0.0031746 k( 304) = ( 0.3333333 0.5773503 0.3622582), wk = 0.0031746 k( 305) = ( 0.3333333 0.5773503 0.3780085), wk = 0.0031746 k( 306) = ( 0.3333333 0.5773503 0.3937589), wk = 0.0031746 k( 307) = ( 0.3333333 0.5773503 0.4095092), wk = 0.0031746 k( 308) = ( 0.3333333 0.5773503 0.4252596), wk = 0.0031746 k( 309) = ( 0.3333333 0.5773503 0.4410099), wk = 0.0031746 k( 310) = ( 0.3333333 0.5773503 0.4567603), wk = 0.0031746 k( 311) = ( 0.3333333 0.5773503 0.4725106), wk = 0.0031746 k( 312) = ( 0.3333333 0.5773503 0.4882610), wk = 0.0031746 k( 313) = ( 0.3333333 0.5773503 0.5040114), wk = 0.0031746 k( 314) = ( 0.3333333 0.5773503 0.5197617), wk = 0.0031746 k( 315) = ( 0.3333333 0.5773503 0.5355121), wk = 0.0031746 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 2) = ( 0.0135135 0.0000000 0.0000000), wk = 0.0031746 k( 3) = ( 0.0270270 0.0000000 0.0000000), wk = 0.0031746 k( 4) = ( 0.0405405 0.0000000 0.0000000), wk = 0.0031746 k( 5) = ( 0.0540540 0.0000000 0.0000000), wk = 0.0031746 k( 6) = ( 0.0675676 -0.0000000 0.0000000), wk = 0.0031746 k( 7) = ( 0.0810811 0.0000000 0.0000000), wk = 0.0031746 k( 8) = ( 0.0945946 -0.0000000 0.0000000), wk = 0.0031746 k( 9) = ( 0.1081081 0.0000000 0.0000000), wk = 0.0031746 k( 10) = ( 0.1216216 0.0000000 0.0000000), wk = 0.0031746 k( 11) = ( 0.1351351 -0.0000000 0.0000000), wk = 0.0031746 k( 12) = ( 0.1486486 -0.0000000 0.0000000), wk = 0.0031746 k( 13) = ( 0.1621622 0.0000000 0.0000000), wk = 0.0031746 k( 14) = ( 0.1756757 0.0000000 0.0000000), wk = 0.0031746 k( 15) = ( 0.1891892 -0.0000000 0.0000000), wk = 0.0031746 k( 16) = ( 0.2027027 0.0000000 0.0000000), wk = 0.0031746 k( 17) = ( 0.2162162 0.0000000 0.0000000), wk = 0.0031746 k( 18) = ( 0.2297297 0.0000000 0.0000000), wk = 0.0031746 k( 19) = ( 0.2432432 0.0000000 0.0000000), wk = 0.0031746 k( 20) = ( 0.2567568 -0.0000000 0.0000000), wk = 0.0031746 k( 21) = ( 0.2702703 0.0000000 0.0000000), wk = 0.0031746 k( 22) = ( 0.2837838 -0.0000000 0.0000000), wk = 0.0031746 k( 23) = ( 0.2972973 -0.0000000 0.0000000), wk = 0.0031746 k( 24) = ( 0.3108108 0.0000000 0.0000000), wk = 0.0031746 k( 25) = ( 0.3243243 0.0000000 0.0000000), wk = 0.0031746 k( 26) = ( 0.3378378 0.0000000 0.0000000), wk = 0.0031746 k( 27) = ( 0.3513514 0.0000000 0.0000000), wk = 0.0031746 k( 28) = ( 0.3648649 0.0000000 -0.0000000), wk = 0.0031746 k( 29) = ( 0.3783784 -0.0000000 0.0000000), wk = 0.0031746 k( 30) = ( 0.3918919 0.0000000 0.0000000), wk = 0.0031746 k( 31) = ( 0.4054054 0.0000000 0.0000000), wk = 0.0031746 k( 32) = ( 0.4189189 0.0000000 0.0000000), wk = 0.0031746 k( 33) = ( 0.4324324 0.0000000 0.0000000), wk = 0.0031746 k( 34) = ( 0.4459459 0.0000000 0.0000000), wk = 0.0031746 k( 35) = ( 0.4594595 0.0000000 0.0000000), wk = 0.0031746 k( 36) = ( 0.4729730 0.0000000 0.0000000), wk = 0.0031746 k( 37) = ( 0.4864865 0.0000000 0.0000000), wk = 0.0031746 k( 38) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031746 k( 39) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031746 k( 40) = ( 0.4924242 0.0151515 0.0000000), wk = 0.0031746 k( 41) = ( 0.4848485 0.0303030 0.0000000), wk = 0.0031746 k( 42) = ( 0.4772727 0.0454546 -0.0000000), wk = 0.0031746 k( 43) = ( 0.4696970 0.0606061 0.0000000), wk = 0.0031746 k( 44) = ( 0.4621212 0.0757576 0.0000000), wk = 0.0031746 k( 45) = ( 0.4545455 0.0909091 0.0000000), wk = 0.0031746 k( 46) = ( 0.4469697 0.1060606 0.0000000), wk = 0.0031746 k( 47) = ( 0.4393939 0.1212121 0.0000000), wk = 0.0031746 k( 48) = ( 0.4318182 0.1363636 0.0000000), wk = 0.0031746 k( 49) = ( 0.4242424 0.1515152 0.0000000), wk = 0.0031746 k( 50) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0031746 k( 51) = ( 0.4090909 0.1818182 -0.0000000), wk = 0.0031746 k( 52) = ( 0.4015151 0.1969697 0.0000000), wk = 0.0031746 k( 53) = ( 0.3939394 0.2121212 0.0000000), wk = 0.0031746 k( 54) = ( 0.3863636 0.2272727 -0.0000000), wk = 0.0031746 k( 55) = ( 0.3787879 0.2424242 0.0000000), wk = 0.0031746 k( 56) = ( 0.3712121 0.2575758 0.0000000), wk = 0.0031746 k( 57) = ( 0.3636364 0.2727273 0.0000000), wk = 0.0031746 k( 58) = ( 0.3560606 0.2878788 -0.0000000), wk = 0.0031746 k( 59) = ( 0.3484849 0.3030303 -0.0000000), wk = 0.0031746 k( 60) = ( 0.3409091 0.3181818 -0.0000000), wk = 0.0031746 k( 61) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0031746 k( 62) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0031746 k( 63) = ( 0.3255814 0.3255814 -0.0000000), wk = 0.0031746 k( 64) = ( 0.3178295 0.3178295 -0.0000000), wk = 0.0031746 k( 65) = ( 0.3100775 0.3100775 0.0000000), wk = 0.0031746 k( 66) = ( 0.3023256 0.3023256 -0.0000000), wk = 0.0031746 k( 67) = ( 0.2945736 0.2945736 -0.0000000), wk = 0.0031746 k( 68) = ( 0.2868217 0.2868217 0.0000000), wk = 0.0031746 k( 69) = ( 0.2790698 0.2790698 -0.0000000), wk = 0.0031746 k( 70) = ( 0.2713178 0.2713178 0.0000000), wk = 0.0031746 k( 71) = ( 0.2635659 0.2635659 -0.0000000), wk = 0.0031746 k( 72) = ( 0.2558140 0.2558139 -0.0000000), wk = 0.0031746 k( 73) = ( 0.2480620 0.2480620 0.0000000), wk = 0.0031746 k( 74) = ( 0.2403101 0.2403101 -0.0000000), wk = 0.0031746 k( 75) = ( 0.2325581 0.2325581 0.0000000), wk = 0.0031746 k( 76) = ( 0.2248062 0.2248062 -0.0000000), wk = 0.0031746 k( 77) = ( 0.2170543 0.2170543 -0.0000000), wk = 0.0031746 k( 78) = ( 0.2093023 0.2093023 0.0000000), wk = 0.0031746 k( 79) = ( 0.2015504 0.2015504 -0.0000000), wk = 0.0031746 k( 80) = ( 0.1937985 0.1937984 -0.0000000), wk = 0.0031746 k( 81) = ( 0.1860465 0.1860465 -0.0000000), wk = 0.0031746 k( 82) = ( 0.1782946 0.1782946 0.0000000), wk = 0.0031746 k( 83) = ( 0.1705426 0.1705426 0.0000000), wk = 0.0031746 k( 84) = ( 0.1627907 0.1627907 -0.0000000), wk = 0.0031746 k( 85) = ( 0.1550388 0.1550388 0.0000000), wk = 0.0031746 k( 86) = ( 0.1472868 0.1472868 -0.0000000), wk = 0.0031746 k( 87) = ( 0.1395349 0.1395349 0.0000000), wk = 0.0031746 k( 88) = ( 0.1317830 0.1317830 0.0000000), wk = 0.0031746 k( 89) = ( 0.1240310 0.1240310 0.0000000), wk = 0.0031746 k( 90) = ( 0.1162791 0.1162791 0.0000000), wk = 0.0031746 k( 91) = ( 0.1085271 0.1085271 -0.0000000), wk = 0.0031746 k( 92) = ( 0.1007752 0.1007752 0.0000000), wk = 0.0031746 k( 93) = ( 0.0930233 0.0930233 -0.0000000), wk = 0.0031746 k( 94) = ( 0.0852713 0.0852713 0.0000000), wk = 0.0031746 k( 95) = ( 0.0775194 0.0775194 0.0000000), wk = 0.0031746 k( 96) = ( 0.0697674 0.0697674 0.0000000), wk = 0.0031746 k( 97) = ( 0.0620155 0.0620155 0.0000000), wk = 0.0031746 k( 98) = ( 0.0542636 0.0542636 -0.0000000), wk = 0.0031746 k( 99) = ( 0.0465116 0.0465116 -0.0000000), wk = 0.0031746 k( 100) = ( 0.0387597 0.0387597 0.0000000), wk = 0.0031746 k( 101) = ( 0.0310078 0.0310078 0.0000000), wk = 0.0031746 k( 102) = ( 0.0232558 0.0232558 0.0000000), wk = 0.0031746 k( 103) = ( 0.0155039 0.0155039 0.0000000), wk = 0.0031746 k( 104) = ( 0.0077519 0.0077519 0.0000000), wk = 0.0031746 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 107) = ( 0.0000000 0.0000000 0.0147059), wk = 0.0031746 k( 108) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0031746 k( 109) = ( 0.0000000 0.0000000 0.0441177), wk = 0.0031746 k( 110) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0031746 k( 111) = ( 0.0000000 0.0000000 0.0735294), wk = 0.0031746 k( 112) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0031746 k( 113) = ( 0.0000000 0.0000000 0.1029412), wk = 0.0031746 k( 114) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0031746 k( 115) = ( 0.0000000 0.0000000 0.1323529), wk = 0.0031746 k( 116) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0031746 k( 117) = ( 0.0000000 0.0000000 0.1617647), wk = 0.0031746 k( 118) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0031746 k( 119) = ( 0.0000000 0.0000000 0.1911765), wk = 0.0031746 k( 120) = ( 0.0000000 0.0000000 0.2058824), wk = 0.0031746 k( 121) = ( 0.0000000 0.0000000 0.2205882), wk = 0.0031746 k( 122) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0031746 k( 123) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0031746 k( 124) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0031746 k( 125) = ( 0.0000000 0.0000000 0.2794118), wk = 0.0031746 k( 126) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0031746 k( 127) = ( 0.0000000 0.0000000 0.3088235), wk = 0.0031746 k( 128) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0031746 k( 129) = ( 0.0000000 0.0000000 0.3382353), wk = 0.0031746 k( 130) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0031746 k( 131) = ( 0.0000000 0.0000000 0.3676471), wk = 0.0031746 k( 132) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0031746 k( 133) = ( 0.0000000 0.0000000 0.3970588), wk = 0.0031746 k( 134) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0031746 k( 135) = ( 0.0000000 0.0000000 0.4264706), wk = 0.0031746 k( 136) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0031746 k( 137) = ( 0.0000000 0.0000000 0.4558824), wk = 0.0031746 k( 138) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0031746 k( 139) = ( 0.0000000 0.0000000 0.4852941), wk = 0.0031746 k( 140) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031746 k( 141) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031746 k( 142) = ( 0.0135135 0.0000000 0.5000000), wk = 0.0031746 k( 143) = ( 0.0270270 0.0000000 0.5000000), wk = 0.0031746 k( 144) = ( 0.0405405 0.0000000 0.5000000), wk = 0.0031746 k( 145) = ( 0.0540540 0.0000000 0.5000000), wk = 0.0031746 k( 146) = ( 0.0675676 -0.0000000 0.5000000), wk = 0.0031746 k( 147) = ( 0.0810811 0.0000000 0.5000000), wk = 0.0031746 k( 148) = ( 0.0945946 -0.0000000 0.5000000), wk = 0.0031746 k( 149) = ( 0.1081081 0.0000000 0.5000000), wk = 0.0031746 k( 150) = ( 0.1216216 0.0000000 0.5000000), wk = 0.0031746 k( 151) = ( 0.1351351 -0.0000000 0.5000000), wk = 0.0031746 k( 152) = ( 0.1486486 -0.0000000 0.5000000), wk = 0.0031746 k( 153) = ( 0.1621622 0.0000000 0.5000000), wk = 0.0031746 k( 154) = ( 0.1756757 0.0000000 0.5000000), wk = 0.0031746 k( 155) = ( 0.1891892 -0.0000000 0.5000000), wk = 0.0031746 k( 156) = ( 0.2027027 0.0000000 0.5000000), wk = 0.0031746 k( 157) = ( 0.2162162 0.0000000 0.5000000), wk = 0.0031746 k( 158) = ( 0.2297297 0.0000000 0.5000000), wk = 0.0031746 k( 159) = ( 0.2432432 0.0000000 0.5000000), wk = 0.0031746 k( 160) = ( 0.2567568 -0.0000000 0.5000000), wk = 0.0031746 k( 161) = ( 0.2702703 0.0000000 0.5000000), wk = 0.0031746 k( 162) = ( 0.2837838 -0.0000000 0.5000000), wk = 0.0031746 k( 163) = ( 0.2972973 -0.0000000 0.5000000), wk = 0.0031746 k( 164) = ( 0.3108108 0.0000000 0.5000000), wk = 0.0031746 k( 165) = ( 0.3243243 0.0000000 0.5000000), wk = 0.0031746 k( 166) = ( 0.3378378 0.0000000 0.5000000), wk = 0.0031746 k( 167) = ( 0.3513514 0.0000000 0.5000000), wk = 0.0031746 k( 168) = ( 0.3648649 0.0000000 0.5000000), wk = 0.0031746 k( 169) = ( 0.3783784 -0.0000000 0.5000000), wk = 0.0031746 k( 170) = ( 0.3918919 0.0000000 0.5000000), wk = 0.0031746 k( 171) = ( 0.4054054 0.0000000 0.5000000), wk = 0.0031746 k( 172) = ( 0.4189189 0.0000000 0.5000000), wk = 0.0031746 k( 173) = ( 0.4324324 0.0000000 0.5000000), wk = 0.0031746 k( 174) = ( 0.4459459 0.0000000 0.5000000), wk = 0.0031746 k( 175) = ( 0.4594595 0.0000000 0.5000000), wk = 0.0031746 k( 176) = ( 0.4729730 0.0000000 0.5000000), wk = 0.0031746 k( 177) = ( 0.4864865 0.0000000 0.5000000), wk = 0.0031746 k( 178) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031746 k( 179) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031746 k( 180) = ( 0.4924242 0.0151515 0.5000000), wk = 0.0031746 k( 181) = ( 0.4848485 0.0303030 0.5000000), wk = 0.0031746 k( 182) = ( 0.4772727 0.0454546 0.5000000), wk = 0.0031746 k( 183) = ( 0.4696970 0.0606061 0.5000000), wk = 0.0031746 k( 184) = ( 0.4621212 0.0757576 0.5000000), wk = 0.0031746 k( 185) = ( 0.4545455 0.0909091 0.5000000), wk = 0.0031746 k( 186) = ( 0.4469697 0.1060606 0.5000000), wk = 0.0031746 k( 187) = ( 0.4393939 0.1212121 0.5000000), wk = 0.0031746 k( 188) = ( 0.4318182 0.1363636 0.5000000), wk = 0.0031746 k( 189) = ( 0.4242424 0.1515152 0.5000000), wk = 0.0031746 k( 190) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0031746 k( 191) = ( 0.4090909 0.1818182 0.5000000), wk = 0.0031746 k( 192) = ( 0.4015151 0.1969697 0.5000000), wk = 0.0031746 k( 193) = ( 0.3939394 0.2121212 0.5000000), wk = 0.0031746 k( 194) = ( 0.3863636 0.2272727 0.5000000), wk = 0.0031746 k( 195) = ( 0.3787879 0.2424242 0.5000000), wk = 0.0031746 k( 196) = ( 0.3712121 0.2575758 0.5000000), wk = 0.0031746 k( 197) = ( 0.3636364 0.2727273 0.5000000), wk = 0.0031746 k( 198) = ( 0.3560606 0.2878788 0.5000000), wk = 0.0031746 k( 199) = ( 0.3484849 0.3030303 0.5000000), wk = 0.0031746 k( 200) = ( 0.3409091 0.3181818 0.5000000), wk = 0.0031746 k( 201) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031746 k( 202) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031746 k( 203) = ( 0.3255814 0.3255814 0.5000000), wk = 0.0031746 k( 204) = ( 0.3178295 0.3178295 0.5000000), wk = 0.0031746 k( 205) = ( 0.3100775 0.3100775 0.5000000), wk = 0.0031746 k( 206) = ( 0.3023256 0.3023256 0.5000000), wk = 0.0031746 k( 207) = ( 0.2945736 0.2945736 0.5000000), wk = 0.0031746 k( 208) = ( 0.2868217 0.2868217 0.5000000), wk = 0.0031746 k( 209) = ( 0.2790698 0.2790698 0.5000000), wk = 0.0031746 k( 210) = ( 0.2713178 0.2713178 0.5000000), wk = 0.0031746 k( 211) = ( 0.2635659 0.2635659 0.5000000), wk = 0.0031746 k( 212) = ( 0.2558140 0.2558139 0.5000000), wk = 0.0031746 k( 213) = ( 0.2480620 0.2480620 0.5000000), wk = 0.0031746 k( 214) = ( 0.2403101 0.2403101 0.5000000), wk = 0.0031746 k( 215) = ( 0.2325581 0.2325581 0.5000000), wk = 0.0031746 k( 216) = ( 0.2248062 0.2248062 0.5000000), wk = 0.0031746 k( 217) = ( 0.2170543 0.2170543 0.5000000), wk = 0.0031746 k( 218) = ( 0.2093023 0.2093023 0.5000000), wk = 0.0031746 k( 219) = ( 0.2015504 0.2015504 0.5000000), wk = 0.0031746 k( 220) = ( 0.1937985 0.1937984 0.5000000), wk = 0.0031746 k( 221) = ( 0.1860465 0.1860465 0.5000000), wk = 0.0031746 k( 222) = ( 0.1782946 0.1782946 0.5000000), wk = 0.0031746 k( 223) = ( 0.1705426 0.1705426 0.5000000), wk = 0.0031746 k( 224) = ( 0.1627907 0.1627907 0.5000000), wk = 0.0031746 k( 225) = ( 0.1550388 0.1550388 0.5000000), wk = 0.0031746 k( 226) = ( 0.1472868 0.1472868 0.5000000), wk = 0.0031746 k( 227) = ( 0.1395349 0.1395349 0.5000000), wk = 0.0031746 k( 228) = ( 0.1317830 0.1317830 0.5000000), wk = 0.0031746 k( 229) = ( 0.1240310 0.1240310 0.5000000), wk = 0.0031746 k( 230) = ( 0.1162791 0.1162791 0.5000000), wk = 0.0031746 k( 231) = ( 0.1085271 0.1085271 0.5000000), wk = 0.0031746 k( 232) = ( 0.1007752 0.1007752 0.5000000), wk = 0.0031746 k( 233) = ( 0.0930233 0.0930233 0.5000000), wk = 0.0031746 k( 234) = ( 0.0852713 0.0852713 0.5000000), wk = 0.0031746 k( 235) = ( 0.0775194 0.0775194 0.5000000), wk = 0.0031746 k( 236) = ( 0.0697674 0.0697674 0.5000000), wk = 0.0031746 k( 237) = ( 0.0620155 0.0620155 0.5000000), wk = 0.0031746 k( 238) = ( 0.0542636 0.0542636 0.5000000), wk = 0.0031746 k( 239) = ( 0.0465116 0.0465116 0.5000000), wk = 0.0031746 k( 240) = ( 0.0387597 0.0387597 0.5000000), wk = 0.0031746 k( 241) = ( 0.0310078 0.0310078 0.5000000), wk = 0.0031746 k( 242) = ( 0.0232558 0.0232558 0.5000000), wk = 0.0031746 k( 243) = ( 0.0155039 0.0155039 0.5000000), wk = 0.0031746 k( 244) = ( 0.0077519 0.0077519 0.5000000), wk = 0.0031746 k( 245) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031746 k( 246) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031746 k( 247) = ( 0.5000000 0.0000000 0.4852941), wk = 0.0031746 k( 248) = ( 0.5000000 0.0000000 0.4705882), wk = 0.0031746 k( 249) = ( 0.5000000 0.0000000 0.4558824), wk = 0.0031746 k( 250) = ( 0.5000000 0.0000000 0.4411765), wk = 0.0031746 k( 251) = ( 0.5000000 0.0000000 0.4264706), wk = 0.0031746 k( 252) = ( 0.5000000 0.0000000 0.4117647), wk = 0.0031746 k( 253) = ( 0.5000000 0.0000000 0.3970588), wk = 0.0031746 k( 254) = ( 0.5000000 0.0000000 0.3823529), wk = 0.0031746 k( 255) = ( 0.5000000 0.0000000 0.3676471), wk = 0.0031746 k( 256) = ( 0.5000000 0.0000000 0.3529412), wk = 0.0031746 k( 257) = ( 0.5000000 0.0000000 0.3382353), wk = 0.0031746 k( 258) = ( 0.5000000 0.0000000 0.3235294), wk = 0.0031746 k( 259) = ( 0.5000000 0.0000000 0.3088235), wk = 0.0031746 k( 260) = ( 0.5000000 0.0000000 0.2941177), wk = 0.0031746 k( 261) = ( 0.5000000 0.0000000 0.2794118), wk = 0.0031746 k( 262) = ( 0.5000000 0.0000000 0.2647059), wk = 0.0031746 k( 263) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0031746 k( 264) = ( 0.5000000 0.0000000 0.2352941), wk = 0.0031746 k( 265) = ( 0.5000000 0.0000000 0.2205882), wk = 0.0031746 k( 266) = ( 0.5000000 0.0000000 0.2058824), wk = 0.0031746 k( 267) = ( 0.5000000 0.0000000 0.1911765), wk = 0.0031746 k( 268) = ( 0.5000000 0.0000000 0.1764706), wk = 0.0031746 k( 269) = ( 0.5000000 0.0000000 0.1617647), wk = 0.0031746 k( 270) = ( 0.5000000 0.0000000 0.1470588), wk = 0.0031746 k( 271) = ( 0.5000000 0.0000000 0.1323529), wk = 0.0031746 k( 272) = ( 0.5000000 0.0000000 0.1176471), wk = 0.0031746 k( 273) = ( 0.5000000 0.0000000 0.1029412), wk = 0.0031746 k( 274) = ( 0.5000000 0.0000000 0.0882353), wk = 0.0031746 k( 275) = ( 0.5000000 0.0000000 0.0735294), wk = 0.0031746 k( 276) = ( 0.5000000 0.0000000 0.0588235), wk = 0.0031746 k( 277) = ( 0.5000000 0.0000000 0.0441177), wk = 0.0031746 k( 278) = ( 0.5000000 0.0000000 0.0294118), wk = 0.0031746 k( 279) = ( 0.5000000 0.0000000 0.0147059), wk = 0.0031746 k( 280) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031746 k( 281) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0031746 k( 282) = ( 0.3333333 0.3333333 0.0147059), wk = 0.0031746 k( 283) = ( 0.3333333 0.3333333 0.0294118), wk = 0.0031746 k( 284) = ( 0.3333333 0.3333333 0.0441177), wk = 0.0031746 k( 285) = ( 0.3333333 0.3333333 0.0588235), wk = 0.0031746 k( 286) = ( 0.3333333 0.3333333 0.0735294), wk = 0.0031746 k( 287) = ( 0.3333333 0.3333333 0.0882353), wk = 0.0031746 k( 288) = ( 0.3333333 0.3333333 0.1029412), wk = 0.0031746 k( 289) = ( 0.3333333 0.3333333 0.1176471), wk = 0.0031746 k( 290) = ( 0.3333333 0.3333333 0.1323529), wk = 0.0031746 k( 291) = ( 0.3333333 0.3333333 0.1470588), wk = 0.0031746 k( 292) = ( 0.3333333 0.3333333 0.1617647), wk = 0.0031746 k( 293) = ( 0.3333333 0.3333333 0.1764706), wk = 0.0031746 k( 294) = ( 0.3333333 0.3333333 0.1911765), wk = 0.0031746 k( 295) = ( 0.3333333 0.3333333 0.2058824), wk = 0.0031746 k( 296) = ( 0.3333333 0.3333333 0.2205882), wk = 0.0031746 k( 297) = ( 0.3333333 0.3333333 0.2352941), wk = 0.0031746 k( 298) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0031746 k( 299) = ( 0.3333333 0.3333333 0.2647059), wk = 0.0031746 k( 300) = ( 0.3333333 0.3333333 0.2794118), wk = 0.0031746 k( 301) = ( 0.3333333 0.3333333 0.2941177), wk = 0.0031746 k( 302) = ( 0.3333333 0.3333333 0.3088235), wk = 0.0031746 k( 303) = ( 0.3333333 0.3333333 0.3235294), wk = 0.0031746 k( 304) = ( 0.3333333 0.3333333 0.3382353), wk = 0.0031746 k( 305) = ( 0.3333333 0.3333333 0.3529412), wk = 0.0031746 k( 306) = ( 0.3333333 0.3333333 0.3676471), wk = 0.0031746 k( 307) = ( 0.3333333 0.3333333 0.3823529), wk = 0.0031746 k( 308) = ( 0.3333333 0.3333333 0.3970588), wk = 0.0031746 k( 309) = ( 0.3333333 0.3333333 0.4117647), wk = 0.0031746 k( 310) = ( 0.3333333 0.3333333 0.4264706), wk = 0.0031746 k( 311) = ( 0.3333333 0.3333333 0.4411765), wk = 0.0031746 k( 312) = ( 0.3333333 0.3333333 0.4558823), wk = 0.0031746 k( 313) = ( 0.3333333 0.3333333 0.4705882), wk = 0.0031746 k( 314) = ( 0.3333333 0.3333333 0.4852941), wk = 0.0031746 k( 315) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031746 Dense grid: 94923 G-vectors FFT dimensions: ( 64, 64, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.73 Mb ( 668, 72) NL pseudopotentials 0.74 Mb ( 334, 146) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.02 Mb ( 2638) G-vector shells 0.01 Mb ( 1178) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.94 Mb ( 668, 288) Each subspace H/S matrix 0.08 Mb ( 72, 72) Each matrix 0.32 Mb ( 146, 2, 72) The potential is recalculated from file : ./Li2HfF6.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 4.3 secs Computing kpt #: 3 total cpu time spent up to now is 5.3 secs Computing kpt #: 4 total cpu time spent up to now is 6.2 secs Computing kpt #: 5 total cpu time spent up to now is 7.2 secs Computing kpt #: 6 total cpu time spent up to now is 8.2 secs Computing kpt #: 7 total cpu time spent up to now is 9.1 secs Computing kpt #: 8 total cpu time spent up to now is 10.1 secs Computing kpt #: 9 total cpu time spent up to now is 11.1 secs Computing kpt #: 10 total cpu time spent up to now is 12.0 secs Computing kpt #: 11 total cpu time spent up to now is 13.0 secs Computing kpt #: 12 total cpu time spent up to now is 14.0 secs Computing kpt #: 13 total cpu time spent up to now is 15.0 secs Computing kpt #: 14 total cpu time spent up to now is 15.9 secs Computing kpt #: 15 total cpu time spent up to now is 16.9 secs Computing kpt #: 16 total cpu time spent up to now is 17.9 secs Computing kpt #: 17 total cpu time spent up to now is 18.8 secs Computing kpt #: 18 total cpu time spent up to now is 19.8 secs Computing kpt #: 19 total cpu time spent up to now is 20.8 secs Computing kpt #: 20 total cpu time spent up to now is 21.8 secs Computing kpt #: 21 total cpu time spent up to now is 22.7 secs Computing kpt #: 22 total cpu time spent up to now is 23.7 secs Computing kpt #: 23 total cpu time spent up to now is 24.7 secs Computing kpt #: 24 total cpu time spent up to now is 25.7 secs Computing kpt #: 25 total cpu time spent up to now is 26.7 secs Computing kpt #: 26 total cpu time spent up to now is 27.7 secs Computing kpt #: 27 total cpu time spent up to now is 28.7 secs Computing kpt #: 28 total cpu time spent up to now is 29.8 secs Computing kpt #: 29 total cpu time spent up to now is 30.8 secs Computing kpt #: 30 total cpu time spent up to now is 31.8 secs Computing kpt #: 31 total cpu time spent up to now is 32.9 secs Computing kpt #: 32 total cpu time spent up to now is 33.9 secs Computing kpt #: 33 total cpu time spent up to now is 34.9 secs Computing kpt #: 34 total cpu time spent up to now is 36.0 secs Computing kpt #: 35 total cpu time spent up to now is 37.1 secs Computing kpt #: 36 total cpu time spent up to now is 38.1 secs Computing kpt #: 37 total cpu time spent up to now is 39.2 secs Computing kpt #: 38 total cpu time spent up to now is 40.2 secs Computing kpt #: 39 total cpu time spent up to now is 41.3 secs Computing kpt #: 40 total cpu time spent up to now is 42.3 secs Computing kpt #: 41 total cpu time spent up to now is 43.4 secs Computing kpt #: 42 total cpu time spent up to now is 44.4 secs Computing kpt #: 43 total cpu time spent up to now is 45.5 secs Computing kpt #: 44 total cpu time spent up to now is 46.6 secs Computing kpt #: 45 total cpu time spent up to now is 47.7 secs Computing kpt #: 46 total cpu time spent up to now is 48.8 secs Computing kpt #: 47 total cpu time spent up to now is 49.9 secs Computing kpt #: 48 total cpu time spent up to now is 51.0 secs Computing kpt #: 49 total cpu time spent up to now is 52.0 secs Computing kpt #: 50 total cpu time spent up to now is 53.1 secs Computing kpt #: 51 total cpu time spent up to now is 54.1 secs Computing kpt #: 52 total cpu time spent up to now is 55.2 secs Computing kpt #: 53 total cpu time spent up to now is 56.2 secs Computing kpt #: 54 total cpu time spent up to now is 57.2 secs Computing kpt #: 55 total cpu time spent up to now is 58.2 secs Computing kpt #: 56 total cpu time spent up to now is 59.3 secs Computing kpt #: 57 total cpu time spent up to now is 60.3 secs Computing kpt #: 58 total cpu time spent up to now is 61.3 secs Computing kpt #: 59 total cpu time spent up to now is 62.3 secs Computing kpt #: 60 total cpu time spent up to now is 63.3 secs Computing kpt #: 61 total cpu time spent up to now is 64.3 secs Computing kpt #: 62 total cpu time spent up to now is 65.3 secs Computing kpt #: 63 total cpu time spent up to now is 66.3 secs Computing kpt #: 64 total cpu time spent up to now is 67.3 secs Computing kpt #: 65 total cpu time spent up to now is 68.3 secs Computing kpt #: 66 total cpu time spent up to now is 69.4 secs Computing kpt #: 67 total cpu time spent up to now is 70.6 secs Computing kpt #: 68 total cpu time spent up to now is 71.6 secs Computing kpt #: 69 total cpu time spent up to now is 72.7 secs Computing kpt #: 70 total cpu time spent up to now is 73.7 secs Computing kpt #: 71 total cpu time spent up to now is 74.8 secs Computing kpt #: 72 total cpu time spent up to now is 76.1 secs Computing kpt #: 73 total cpu time spent up to now is 77.5 secs Computing kpt #: 74 total cpu time spent up to now is 78.5 secs Computing kpt #: 75 total cpu time spent up to now is 79.6 secs Computing kpt #: 76 total cpu time spent up to now is 80.6 secs Computing kpt #: 77 total cpu time spent up to now is 81.7 secs Computing kpt #: 78 total cpu time spent up to now is 82.7 secs Computing kpt #: 79 total cpu time spent up to now is 83.7 secs Computing kpt #: 80 total cpu time spent up to now is 84.7 secs Computing kpt #: 81 total cpu time spent up to now is 85.7 secs Computing kpt #: 82 total cpu time spent up to now is 86.7 secs Computing kpt #: 83 total cpu time spent up to now is 87.7 secs Computing kpt #: 84 total cpu time spent up to now is 88.7 secs Computing kpt #: 85 total cpu time spent up to now is 89.7 secs Computing kpt #: 86 total cpu time spent up to now is 90.7 secs Computing kpt #: 87 total cpu time spent up to now is 91.7 secs Computing kpt #: 88 total cpu time spent up to now is 92.6 secs Computing kpt #: 89 total cpu time spent up to now is 93.6 secs Computing kpt #: 90 total cpu time spent up to now is 94.6 secs Computing kpt #: 91 total cpu time spent up to now is 95.5 secs Computing kpt #: 92 total cpu time spent up to now is 96.5 secs Computing kpt #: 93 total cpu time spent up to now is 97.4 secs Computing kpt #: 94 total cpu time spent up to now is 98.4 secs Computing kpt #: 95 total cpu time spent up to now is 99.4 secs Computing kpt #: 96 total cpu time spent up to now is 100.3 secs Computing kpt #: 97 total cpu time spent up to now is 101.3 secs Computing kpt #: 98 total cpu time spent up to now is 102.2 secs Computing kpt #: 99 total cpu time spent up to now is 103.2 secs Computing kpt #: 100 total cpu time spent up to now is 104.2 secs Computing kpt #: 101 total cpu time spent up to now is 105.2 secs Computing kpt #: 102 total cpu time spent up to now is 106.1 secs Computing kpt #: 103 total cpu time spent up to now is 107.0 secs Computing kpt #: 104 total cpu time spent up to now is 108.0 secs Computing kpt #: 105 total cpu time spent up to now is 108.9 secs Computing kpt #: 106 total cpu time spent up to now is 109.9 secs Computing kpt #: 107 total cpu time spent up to now is 110.8 secs Computing kpt #: 108 total cpu time spent up to now is 111.7 secs Computing kpt #: 109 total cpu time spent up to now is 112.7 secs Computing kpt #: 110 total cpu time spent up to now is 113.6 secs Computing kpt #: 111 total cpu time spent up to now is 114.6 secs Computing kpt #: 112 total cpu time spent up to now is 115.5 secs Computing kpt #: 113 total cpu time spent up to now is 116.5 secs Computing kpt #: 114 total cpu time spent up to now is 117.5 secs Computing kpt #: 115 total cpu time spent up to now is 118.4 secs Computing kpt #: 116 total cpu time spent up to now is 119.4 secs Computing kpt #: 117 total cpu time spent up to now is 120.4 secs Computing kpt #: 118 total cpu time spent up to now is 121.3 secs Computing kpt #: 119 total cpu time spent up to now is 122.3 secs Computing kpt #: 120 total cpu time spent up to now is 123.3 secs Computing kpt #: 121 total cpu time spent up to now is 124.3 secs Computing kpt #: 122 total cpu time spent up to now is 125.3 secs Computing kpt #: 123 total cpu time spent up to now is 126.3 secs Computing kpt #: 124 total cpu time spent up to now is 127.3 secs Computing kpt #: 125 total cpu time spent up to now is 128.3 secs Computing kpt #: 126 total cpu time spent up to now is 129.3 secs Computing kpt #: 127 total cpu time spent up to now is 130.4 secs Computing kpt #: 128 total cpu time spent up to now is 131.6 secs Computing kpt #: 129 total cpu time spent up to now is 132.9 secs Computing kpt #: 130 total cpu time spent up to now is 134.0 secs Computing kpt #: 131 total cpu time spent up to now is 135.1 secs Computing kpt #: 132 total cpu time spent up to now is 136.1 secs Computing kpt #: 133 total cpu time spent up to now is 137.2 secs Computing kpt #: 134 total cpu time spent up to now is 138.3 secs Computing kpt #: 135 total cpu time spent up to now is 139.4 secs Computing kpt #: 136 total cpu time spent up to now is 140.5 secs Computing kpt #: 137 total cpu time spent up to now is 141.6 secs Computing kpt #: 138 total cpu time spent up to now is 142.6 secs Computing kpt #: 139 total cpu time spent up to now is 143.7 secs Computing kpt #: 140 total cpu time spent up to now is 144.8 secs Computing kpt #: 141 total cpu time spent up to now is 145.8 secs Computing kpt #: 142 total cpu time spent up to now is 146.9 secs Computing kpt #: 143 total cpu time spent up to now is 148.0 secs Computing kpt #: 144 total cpu time spent up to now is 149.1 secs Computing kpt #: 145 total cpu time spent up to now is 150.1 secs Computing kpt #: 146 total cpu time spent up to now is 151.2 secs Computing kpt #: 147 total cpu time spent up to now is 152.3 secs Computing kpt #: 148 total cpu time spent up to now is 153.4 secs Computing kpt #: 149 total cpu time spent up to now is 154.5 secs Computing kpt #: 150 total cpu time spent up to now is 155.5 secs Computing kpt #: 151 total cpu time spent up to now is 156.6 secs Computing kpt #: 152 total cpu time spent up to now is 157.6 secs Computing kpt #: 153 total cpu time spent up to now is 158.7 secs Computing kpt #: 154 total cpu time spent up to now is 159.7 secs Computing kpt #: 155 total cpu time spent up to now is 160.7 secs Computing kpt #: 156 total cpu time spent up to now is 161.8 secs Computing kpt #: 157 total cpu time spent up to now is 162.8 secs Computing kpt #: 158 total cpu time spent up to now is 163.8 secs Computing kpt #: 159 total cpu time spent up to now is 164.8 secs Computing kpt #: 160 total cpu time spent up to now is 165.9 secs Computing kpt #: 161 total cpu time spent up to now is 166.9 secs Computing kpt #: 162 total cpu time spent up to now is 167.9 secs Computing kpt #: 163 total cpu time spent up to now is 168.9 secs Computing kpt #: 164 total cpu time spent up to now is 169.9 secs Computing kpt #: 165 total cpu time spent up to now is 170.9 secs Computing kpt #: 166 total cpu time spent up to now is 171.9 secs Computing kpt #: 167 total cpu time spent up to now is 172.9 secs Computing kpt #: 168 total cpu time spent up to now is 174.0 secs Computing kpt #: 169 total cpu time spent up to now is 175.0 secs Computing kpt #: 170 total cpu time spent up to now is 176.0 secs Computing kpt #: 171 total cpu time spent up to now is 177.0 secs Computing kpt #: 172 total cpu time spent up to now is 178.1 secs Computing kpt #: 173 total cpu time spent up to now is 179.1 secs Computing kpt #: 174 total cpu time spent up to now is 180.1 secs Computing kpt #: 175 total cpu time spent up to now is 181.2 secs Computing kpt #: 176 total cpu time spent up to now is 182.3 secs Computing kpt #: 177 total cpu time spent up to now is 183.3 secs Computing kpt #: 178 total cpu time spent up to now is 184.6 secs Computing kpt #: 179 total cpu time spent up to now is 185.8 secs Computing kpt #: 180 total cpu time spent up to now is 187.1 secs Computing kpt #: 181 total cpu time spent up to now is 188.4 secs Computing kpt #: 182 total cpu time spent up to now is 189.6 secs Computing kpt #: 183 total cpu time spent up to now is 190.9 secs Computing kpt #: 184 total cpu time spent up to now is 192.1 secs Computing kpt #: 185 total cpu time spent up to now is 193.4 secs Computing kpt #: 186 total cpu time spent up to now is 194.7 secs Computing kpt #: 187 total cpu time spent up to now is 196.0 secs Computing kpt #: 188 total cpu time spent up to now is 197.2 secs Computing kpt #: 189 total cpu time spent up to now is 198.5 secs Computing kpt #: 190 total cpu time spent up to now is 199.8 secs Computing kpt #: 191 total cpu time spent up to now is 201.1 secs Computing kpt #: 192 total cpu time spent up to now is 202.4 secs Computing kpt #: 193 total cpu time spent up to now is 203.8 secs Computing kpt #: 194 total cpu time spent up to now is 205.0 secs Computing kpt #: 195 total cpu time spent up to now is 206.4 secs Computing kpt #: 196 total cpu time spent up to now is 207.7 secs Computing kpt #: 197 total cpu time spent up to now is 209.0 secs Computing kpt #: 198 total cpu time spent up to now is 210.3 secs Computing kpt #: 199 total cpu time spent up to now is 211.5 secs Computing kpt #: 200 total cpu time spent up to now is 212.8 secs Computing kpt #: 201 total cpu time spent up to now is 214.1 secs Computing kpt #: 202 total cpu time spent up to now is 215.3 secs Computing kpt #: 203 total cpu time spent up to now is 216.6 secs Computing kpt #: 204 total cpu time spent up to now is 217.8 secs Computing kpt #: 205 total cpu time spent up to now is 219.1 secs Computing kpt #: 206 total cpu time spent up to now is 220.4 secs Computing kpt #: 207 total cpu time spent up to now is 221.7 secs Computing kpt #: 208 total cpu time spent up to now is 222.7 secs Computing kpt #: 209 total cpu time spent up to now is 223.8 secs Computing kpt #: 210 total cpu time spent up to now is 224.9 secs Computing kpt #: 211 total cpu time spent up to now is 225.9 secs Computing kpt #: 212 total cpu time spent up to now is 226.9 secs Computing kpt #: 213 total cpu time spent up to now is 228.0 secs Computing kpt #: 214 total cpu time spent up to now is 229.0 secs Computing kpt #: 215 total cpu time spent up to now is 230.0 secs Computing kpt #: 216 total cpu time spent up to now is 231.0 secs Computing kpt #: 217 total cpu time spent up to now is 232.0 secs Computing kpt #: 218 total cpu time spent up to now is 233.0 secs Computing kpt #: 219 total cpu time spent up to now is 234.0 secs Computing kpt #: 220 total cpu time spent up to now is 235.1 secs Computing kpt #: 221 total cpu time spent up to now is 236.1 secs Computing kpt #: 222 total cpu time spent up to now is 237.1 secs Computing kpt #: 223 total cpu time spent up to now is 238.1 secs Computing kpt #: 224 total cpu time spent up to now is 239.1 secs Computing kpt #: 225 total cpu time spent up to now is 240.2 secs Computing kpt #: 226 total cpu time spent up to now is 241.2 secs Computing kpt #: 227 total cpu time spent up to now is 242.2 secs Computing kpt #: 228 total cpu time spent up to now is 243.2 secs Computing kpt #: 229 total cpu time spent up to now is 244.3 secs Computing kpt #: 230 total cpu time spent up to now is 245.3 secs Computing kpt #: 231 total cpu time spent up to now is 246.4 secs Computing kpt #: 232 total cpu time spent up to now is 247.4 secs Computing kpt #: 233 total cpu time spent up to now is 248.4 secs Computing kpt #: 234 total cpu time spent up to now is 249.5 secs Computing kpt #: 235 total cpu time spent up to now is 250.5 secs Computing kpt #: 236 total cpu time spent up to now is 251.6 secs Computing kpt #: 237 total cpu time spent up to now is 252.6 secs Computing kpt #: 238 total cpu time spent up to now is 253.7 secs Computing kpt #: 239 total cpu time spent up to now is 254.8 secs Computing kpt #: 240 total cpu time spent up to now is 255.8 secs Computing kpt #: 241 total cpu time spent up to now is 256.9 secs Computing kpt #: 242 total cpu time spent up to now is 258.0 secs Computing kpt #: 243 total cpu time spent up to now is 259.1 secs Computing kpt #: 244 total cpu time spent up to now is 260.2 secs Computing kpt #: 245 total cpu time spent up to now is 261.2 secs Computing kpt #: 246 total cpu time spent up to now is 262.3 secs Computing kpt #: 247 total cpu time spent up to now is 263.4 secs Computing kpt #: 248 total cpu time spent up to now is 264.6 secs Computing kpt #: 249 total cpu time spent up to now is 265.9 secs Computing kpt #: 250 total cpu time spent up to now is 267.0 secs Computing kpt #: 251 total cpu time spent up to now is 268.1 secs Computing kpt #: 252 total cpu time spent up to now is 269.2 secs Computing kpt #: 253 total cpu time spent up to now is 270.2 secs Computing kpt #: 254 total cpu time spent up to now is 271.3 secs Computing kpt #: 255 total cpu time spent up to now is 272.4 secs Computing kpt #: 256 total cpu time spent up to now is 273.4 secs Computing kpt #: 257 total cpu time spent up to now is 274.5 secs Computing kpt #: 258 total cpu time spent up to now is 275.6 secs Computing kpt #: 259 total cpu time spent up to now is 276.6 secs Computing kpt #: 260 total cpu time spent up to now is 277.7 secs Computing kpt #: 261 total cpu time spent up to now is 278.8 secs Computing kpt #: 262 total cpu time spent up to now is 279.8 secs Computing kpt #: 263 total cpu time spent up to now is 280.9 secs Computing kpt #: 264 total cpu time spent up to now is 282.0 secs Computing kpt #: 265 total cpu time spent up to now is 283.0 secs Computing kpt #: 266 total cpu time spent up to now is 284.1 secs Computing kpt #: 267 total cpu time spent up to now is 285.2 secs Computing kpt #: 268 total cpu time spent up to now is 286.3 secs Computing kpt #: 269 total cpu time spent up to now is 287.4 secs Computing kpt #: 270 total cpu time spent up to now is 288.5 secs Computing kpt #: 271 total cpu time spent up to now is 289.6 secs Computing kpt #: 272 total cpu time spent up to now is 290.7 secs Computing kpt #: 273 total cpu time spent up to now is 291.8 secs Computing kpt #: 274 total cpu time spent up to now is 292.9 secs Computing kpt #: 275 total cpu time spent up to now is 293.9 secs Computing kpt #: 276 total cpu time spent up to now is 295.0 secs Computing kpt #: 277 total cpu time spent up to now is 296.0 secs Computing kpt #: 278 total cpu time spent up to now is 297.1 secs Computing kpt #: 279 total cpu time spent up to now is 298.1 secs Computing kpt #: 280 total cpu time spent up to now is 299.2 secs Computing kpt #: 281 total cpu time spent up to now is 300.2 secs Computing kpt #: 282 total cpu time spent up to now is 301.2 secs Computing kpt #: 283 total cpu time spent up to now is 302.2 secs Computing kpt #: 284 total cpu time spent up to now is 303.2 secs Computing kpt #: 285 total cpu time spent up to now is 304.3 secs Computing kpt #: 286 total cpu time spent up to now is 305.3 secs Computing kpt #: 287 total cpu time spent up to now is 306.3 secs Computing kpt #: 288 total cpu time spent up to now is 307.4 secs Computing kpt #: 289 total cpu time spent up to now is 308.4 secs Computing kpt #: 290 total cpu time spent up to now is 309.5 secs Computing kpt #: 291 total cpu time spent up to now is 310.5 secs Computing kpt #: 292 total cpu time spent up to now is 311.6 secs Computing kpt #: 293 total cpu time spent up to now is 312.7 secs Computing kpt #: 294 total cpu time spent up to now is 313.7 secs Computing kpt #: 295 total cpu time spent up to now is 314.8 secs Computing kpt #: 296 total cpu time spent up to now is 315.8 secs Computing kpt #: 297 total cpu time spent up to now is 316.9 secs Computing kpt #: 298 total cpu time spent up to now is 318.0 secs Computing kpt #: 299 total cpu time spent up to now is 319.0 secs Computing kpt #: 300 total cpu time spent up to now is 320.0 secs Computing kpt #: 301 total cpu time spent up to now is 321.1 secs Computing kpt #: 302 total cpu time spent up to now is 322.1 secs Computing kpt #: 303 total cpu time spent up to now is 323.2 secs Computing kpt #: 304 total cpu time spent up to now is 324.2 secs Computing kpt #: 305 total cpu time spent up to now is 325.2 secs Computing kpt #: 306 total cpu time spent up to now is 326.2 secs Computing kpt #: 307 total cpu time spent up to now is 327.3 secs Computing kpt #: 308 total cpu time spent up to now is 328.3 secs Computing kpt #: 309 total cpu time spent up to now is 329.4 secs Computing kpt #: 310 total cpu time spent up to now is 330.4 secs Computing kpt #: 311 total cpu time spent up to now is 331.5 secs Computing kpt #: 312 total cpu time spent up to now is 332.6 secs Computing kpt #: 313 total cpu time spent up to now is 333.8 secs Computing kpt #: 314 total cpu time spent up to now is 335.1 secs Computing kpt #: 315 total cpu time spent up to now is 336.3 secs ethr = 1.67E-08, avg # of iterations = 16.9 total cpu time spent up to now is 336.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 11945 PWs) bands (ev): -57.0171 -57.0171 -38.7819 -38.7819 -38.7572 -38.7572 -31.4074 -31.4074 -24.0195 -24.0195 -24.0076 -24.0076 -18.4282 -18.4282 -17.9482 -17.9482 -17.9482 -17.9482 -17.6282 -17.6282 -17.2088 -17.2088 -17.1757 -17.1757 -1.2930 -1.2930 -1.2929 -1.2929 -1.1695 -1.1695 -0.6742 -0.6742 0.1428 0.1428 0.2016 0.2016 0.2375 0.2375 0.3335 0.3335 0.4216 0.4216 0.6716 0.6716 0.7891 0.7891 0.8948 0.8948 0.9450 0.9450 1.4946 1.4946 1.5214 1.5214 1.6432 1.6432 1.6870 1.6870 1.7556 1.7556 9.6005 9.6005 9.6261 9.6261 9.9952 9.9952 10.2102 10.2102 13.3626 13.3626 13.4439 13.4439 k = 0.0135 0.0078-0.0000 ( 11915 PWs) bands (ev): -57.0171 -57.0171 -38.7819 -38.7819 -38.7572 -38.7572 -31.4074 -31.4074 -24.0195 -24.0195 -24.0077 -24.0077 -18.4278 -18.4278 -17.9482 -17.9482 -17.9482 -17.9482 -17.6283 -17.6283 -17.2088 -17.2088 -17.1760 -17.1760 -1.2927 -1.2927 -1.2919 -1.2919 -1.1690 -1.1690 -0.6745 -0.6745 0.1354 0.1354 0.2039 0.2039 0.2396 0.2396 0.3349 0.3349 0.4224 0.4224 0.6714 0.6714 0.7916 0.7916 0.8945 0.8945 0.9441 0.9441 1.4943 1.4943 1.5208 1.5208 1.6427 1.6427 1.6863 1.6863 1.7555 1.7555 9.6002 9.6002 9.6257 9.6257 9.9949 9.9949 10.2126 10.2126 13.3623 13.3623 13.4433 13.4433 k = 0.0270 0.0156-0.0000 ( 11889 PWs) bands (ev): -57.0171 -57.0171 -38.7819 -38.7819 -38.7572 -38.7572 -31.4075 -31.4075 -24.0195 -24.0195 -24.0077 -24.0077 -18.4268 -18.4268 -17.9483 -17.9483 -17.9482 -17.9482 -17.6284 -17.6284 -17.2088 -17.2088 -17.1768 -17.1768 -1.2921 -1.2921 -1.2890 -1.2890 -1.1675 -1.1675 -0.6752 -0.6752 0.1185 0.1185 0.2032 0.2032 0.2485 0.2485 0.3383 0.3383 0.4252 0.4252 0.6709 0.6709 0.7991 0.7991 0.8937 0.8937 0.9414 0.9414 1.4933 1.4933 1.5189 1.5189 1.6412 1.6412 1.6844 1.6844 1.7552 1.7552 9.5994 9.5994 9.6247 9.6247 9.9939 9.9939 10.2198 10.2198 13.3613 13.3613 13.4416 13.4416 k = 0.0405 0.0234-0.0000 ( 11879 PWs) bands (ev): -57.0171 -57.0171 -38.7818 -38.7818 -38.7573 -38.7573 -31.4075 -31.4075 -24.0195 -24.0195 -24.0079 -24.0079 -18.4251 -18.4251 -17.9485 -17.9485 -17.9482 -17.9482 -17.6287 -17.6287 -17.2088 -17.2088 -17.1781 -17.1781 -1.2910 -1.2910 -1.2841 -1.2841 -1.1650 -1.1650 -0.6765 -0.6765 0.0977 0.0977 0.1952 0.1952 0.2637 0.2637 0.3426 0.3426 0.4306 0.4306 0.6703 0.6703 0.8108 0.8108 0.8923 0.8923 0.9371 0.9371 1.4914 1.4914 1.5157 1.5157 1.6383 1.6383 1.6816 1.6816 1.7547 1.7547 9.5981 9.5981 9.6230 9.6230 9.9924 9.9924 10.2318 10.2318 13.3596 13.3596 13.4389 13.4389 k = 0.0541 0.0312-0.0000 ( 11871 PWs) bands (ev): -57.0171 -57.0171 -38.7817 -38.7817 -38.7574 -38.7574 -31.4075 -31.4075 -24.0195 -24.0195 -24.0081 -24.0081 -18.4227 -18.4227 -17.9487 -17.9487 -17.9482 -17.9482 -17.6290 -17.6290 -17.2089 -17.2089 -17.1798 -17.1798 -1.2896 -1.2896 -1.2774 -1.2774 -1.1615 -1.1615 -0.6781 -0.6781 0.0757 0.0757 0.1821 0.1821 0.2815 0.2815 0.3462 0.3462 0.4393 0.4393 0.6696 0.6696 0.8260 0.8260 0.8902 0.8902 0.9317 0.9317 1.4887 1.4887 1.5111 1.5111 1.6337 1.6337 1.6787 1.6787 1.7540 1.7540 9.5962 9.5962 9.6206 9.6206 9.9902 9.9902 10.2485 10.2485 13.3575 13.3575 13.4353 13.4353 k = 0.0676 0.0390-0.0000 ( 11869 PWs) bands (ev): -57.0171 -57.0171 -38.7816 -38.7816 -38.7574 -38.7574 -31.4075 -31.4075 -24.0195 -24.0195 -24.0083 -24.0083 -18.4196 -18.4196 -17.9490 -17.9490 -17.9481 -17.9481 -17.6295 -17.6295 -17.2089 -17.2089 -17.1821 -17.1821 -1.2878 -1.2878 -1.2687 -1.2687 -1.1570 -1.1570 -0.6802 -0.6802 0.0533 0.0533 0.1658 0.1658 0.3001 0.3001 0.3478 0.3478 0.4520 0.4520 0.6688 0.6688 0.8434 0.8434 0.8875 0.8875 0.9261 0.9261 1.4847 1.4847 1.5049 1.5049 1.6272 1.6272 1.6762 1.6762 1.7531 1.7531 9.5936 9.5936 9.6176 9.6176 9.9874 9.9874 10.2699 10.2699 13.3549 13.3549 13.4311 13.4311 k = 0.0811 0.0468-0.0000 ( 11869 PWs) bands (ev): -57.0171 -57.0171 -38.7815 -38.7815 -38.7575 -38.7575 -31.4075 -31.4075 -24.0195 -24.0195 -24.0086 -24.0086 -18.4159 -18.4159 -17.9493 -17.9493 -17.9481 -17.9481 -17.6302 -17.6302 -17.2091 -17.2091 -17.1847 -17.1847 -1.2857 -1.2857 -1.2582 -1.2582 -1.1514 -1.1514 -0.6825 -0.6825 0.0312 0.0312 0.1475 0.1475 0.3184 0.3184 0.3475 0.3475 0.4683 0.4683 0.6678 0.6678 0.8602 0.8602 0.8853 0.8853 0.9222 0.9222 1.4793 1.4793 1.4967 1.4967 1.6190 1.6190 1.6744 1.6744 1.7520 1.7520 9.5905 9.5905 9.6140 9.6140 9.9840 9.9840 10.2959 10.2959 13.3520 13.3520 13.4266 13.4266 k = 0.0946 0.0546-0.0000 ( 11853 PWs) bands (ev): -57.0171 -57.0171 -38.7814 -38.7814 -38.7577 -38.7577 -31.4075 -31.4075 -24.0195 -24.0195 -24.0090 -24.0090 -18.4116 -18.4116 -17.9497 -17.9497 -17.9480 -17.9480 -17.6310 -17.6310 -17.2093 -17.2093 -17.1877 -17.1877 -1.2832 -1.2832 -1.2458 -1.2458 -1.1447 -1.1447 -0.6851 -0.6851 0.0097 0.0097 0.1277 0.1277 0.3318 0.3318 0.3500 0.3500 0.4874 0.4874 0.6665 0.6665 0.8651 0.8651 0.8911 0.8911 0.9230 0.9230 1.4724 1.4724 1.4860 1.4860 1.6099 1.6099 1.6733 1.6733 1.7508 1.7508 9.5866 9.5866 9.6100 9.6100 9.9800 9.9800 10.3264 10.3264 13.3491 13.3491 13.4218 13.4218 k = 0.1081 0.0624-0.0000 ( 11859 PWs) bands (ev): -57.0171 -57.0171 -38.7813 -38.7813 -38.7578 -38.7578 -31.4076 -31.4076 -24.0196 -24.0196 -24.0094 -24.0094 -18.4067 -18.4067 -17.9501 -17.9501 -17.9479 -17.9479 -17.6320 -17.6320 -17.2099 -17.2099 -17.1909 -17.1909 -1.2806 -1.2806 -1.2317 -1.2317 -1.1369 -1.1369 -0.6879 -0.6879 -0.0111 -0.0111 0.1071 0.1071 0.3309 0.3309 0.3653 0.3653 0.5079 0.5079 0.6650 0.6650 0.8566 0.8566 0.9010 0.9010 0.9345 0.9345 1.4636 1.4636 1.4725 1.4725 1.6008 1.6008 1.6728 1.6728 1.7494 1.7494 9.5820 9.5820 9.6057 9.6057 9.9755 9.9755 10.3614 10.3614 13.3465 13.3465 13.4170 13.4170 k = 0.1216 0.0702-0.0000 ( 11857 PWs) bands (ev): -57.0171 -57.0171 -38.7811 -38.7811 -38.7580 -38.7580 -31.4076 -31.4076 -24.0196 -24.0196 -24.0098 -24.0098 -18.4011 -18.4011 -17.9504 -17.9504 -17.9478 -17.9478 -17.6332 -17.6332 -17.2108 -17.2108 -17.1940 -17.1940 -1.2777 -1.2777 -1.2159 -1.2159 -1.1280 -1.1280 -0.6907 -0.6907 -0.0309 -0.0309 0.0860 0.0860 0.3237 0.3237 0.3858 0.3858 0.5282 0.5282 0.6638 0.6638 0.8435 0.8435 0.9065 0.9065 0.9560 0.9560 1.4505 1.4505 1.4579 1.4579 1.5925 1.5925 1.6726 1.6726 1.7478 1.7478 9.5766 9.5766 9.6010 9.6010 9.9704 9.9704 10.4006 10.4006 13.3443 13.3443 13.4123 13.4123 k = 0.1351 0.0780-0.0000 ( 11845 PWs) bands (ev): -57.0171 -57.0171 -38.7809 -38.7809 -38.7582 -38.7582 -31.4076 -31.4076 -24.0196 -24.0196 -24.0103 -24.0103 -18.3950 -18.3950 -17.9508 -17.9508 -17.9476 -17.9476 -17.6347 -17.6347 -17.2126 -17.2126 -17.1966 -17.1966 -1.2747 -1.2747 -1.1985 -1.1985 -1.1180 -1.1180 -0.6936 -0.6936 -0.0495 -0.0495 0.0648 0.0648 0.3144 0.3144 0.4077 0.4077 0.5462 0.5462 0.6642 0.6642 0.8280 0.8280 0.9111 0.9111 0.9818 0.9818 1.4299 1.4299 1.4454 1.4454 1.5855 1.5855 1.6726 1.6726 1.7460 1.7460 9.5703 9.5703 9.5962 9.5962 9.9650 9.9650 10.4439 10.4439 13.3428 13.3428 13.4077 13.4077 k = 0.1486 0.0858-0.0000 ( 11841 PWs) bands (ev): -57.0171 -57.0171 -38.7807 -38.7807 -38.7584 -38.7584 -31.4076 -31.4076 -24.0197 -24.0197 -24.0107 -24.0107 -18.3884 -18.3884 -17.9512 -17.9512 -17.9474 -17.9474 -17.6364 -17.6364 -17.2156 -17.2156 -17.1985 -17.1985 -1.2715 -1.2715 -1.1795 -1.1795 -1.1069 -1.1069 -0.6964 -0.6964 -0.0669 -0.0669 0.0437 0.0437 0.3037 0.3037 0.4306 0.4306 0.5592 0.5592 0.6684 0.6684 0.8112 0.8112 0.9165 0.9165 1.0094 1.0094 1.4041 1.4041 1.4329 1.4329 1.5797 1.5797 1.6727 1.6727 1.7441 1.7441 9.5632 9.5632 9.5912 9.5912 9.9591 9.9591 10.4911 10.4911 13.3423 13.3423 13.4034 13.4034 k = 0.1622 0.0936-0.0000 ( 11834 PWs) bands (ev): -57.0171 -57.0171 -38.7805 -38.7805 -38.7586 -38.7586 -31.4077 -31.4077 -24.0197 -24.0197 -24.0113 -24.0113 -18.3813 -18.3813 -17.9516 -17.9516 -17.9471 -17.9471 -17.6384 -17.6384 -17.2197 -17.2197 -17.1994 -17.1994 -1.2683 -1.2683 -1.1591 -1.1591 -1.0945 -1.0945 -0.6991 -0.6991 -0.0828 -0.0828 0.0230 0.0230 0.2921 0.2921 0.4539 0.4539 0.5646 0.5646 0.6781 0.6781 0.7940 0.7940 0.9227 0.9227 1.0377 1.0377 1.3745 1.3745 1.4197 1.4197 1.5751 1.5751 1.6727 1.6727 1.7419 1.7419 9.5554 9.5554 9.5860 9.5860 9.9528 9.9528 10.5421 10.5421 13.3427 13.3427 13.3996 13.3996 k = 0.1757 0.1014-0.0000 ( 11836 PWs) bands (ev): -57.0171 -57.0171 -38.7803 -38.7803 -38.7588 -38.7588 -31.4077 -31.4077 -24.0198 -24.0198 -24.0118 -24.0118 -18.3737 -18.3737 -17.9519 -17.9519 -17.9467 -17.9467 -17.6408 -17.6408 -17.2248 -17.2248 -17.1997 -17.1997 -1.2651 -1.2651 -1.1374 -1.1374 -1.0810 -1.0810 -0.7017 -0.7017 -0.0972 -0.0972 0.0029 0.0029 0.2797 0.2797 0.4770 0.4770 0.5626 0.5626 0.6924 0.6924 0.7779 0.7779 0.9298 0.9298 1.0662 1.0662 1.3416 1.3416 1.4057 1.4057 1.5712 1.5712 1.6726 1.6726 1.7396 1.7396 9.5468 9.5468 9.5808 9.5808 9.9462 9.9462 10.5967 10.5967 13.3441 13.3441 13.3965 13.3965 k = 0.1892 0.1092-0.0000 ( 11822 PWs) bands (ev): -57.0171 -57.0171 -38.7800 -38.7800 -38.7590 -38.7590 -31.4078 -31.4078 -24.0199 -24.0199 -24.0123 -24.0123 -18.3657 -18.3657 -17.9521 -17.9521 -17.9462 -17.9462 -17.6434 -17.6434 -17.2306 -17.2306 -17.1995 -17.1995 -1.2619 -1.2619 -1.1144 -1.1144 -1.0663 -1.0663 -0.7040 -0.7040 -0.1100 -0.1100 -0.0165 -0.0165 0.2668 0.2668 0.4981 0.4981 0.5565 0.5565 0.7062 0.7062 0.7666 0.7666 0.9374 0.9374 1.0944 1.0944 1.3059 1.3059 1.3914 1.3914 1.5679 1.5679 1.6723 1.6723 1.7370 1.7370 9.5376 9.5376 9.5754 9.5754 9.9394 9.9394 10.6547 10.6547 13.3461 13.3461 13.3946 13.3946 k = 0.2027 0.1170-0.0000 ( 11818 PWs) bands (ev): -57.0171 -57.0171 -38.7797 -38.7797 -38.7593 -38.7593 -31.4078 -31.4078 -24.0201 -24.0201 -24.0128 -24.0128 -18.3573 -18.3573 -17.9523 -17.9523 -17.9456 -17.9456 -17.6465 -17.6465 -17.2369 -17.2369 -17.1989 -17.1989 -1.2588 -1.2588 -1.0905 -1.0905 -1.0504 -1.0504 -0.7061 -0.7061 -0.1210 -0.1210 -0.0351 -0.0351 0.2534 0.2534 0.5106 0.5106 0.5542 0.5542 0.7090 0.7090 0.7689 0.7689 0.9454 0.9454 1.1220 1.1220 1.2679 1.2679 1.3772 1.3772 1.5648 1.5648 1.6717 1.6717 1.7344 1.7344 9.5279 9.5279 9.5698 9.5698 9.9324 9.9324 10.7157 10.7157 13.3481 13.3481 13.3949 13.3949 k = 0.2162 0.1248-0.0000 ( 11822 PWs) bands (ev): -57.0171 -57.0171 -38.7795 -38.7795 -38.7596 -38.7596 -31.4078 -31.4078 -24.0202 -24.0202 -24.0133 -24.0133 -18.3486 -18.3486 -17.9525 -17.9525 -17.9449 -17.9449 -17.6498 -17.6498 -17.2436 -17.2436 -17.1982 -17.1982 -1.2558 -1.2558 -1.0656 -1.0656 -1.0333 -1.0333 -0.7078 -0.7078 -0.1301 -0.1301 -0.0525 -0.0525 0.2398 0.2398 0.5047 0.5047 0.5662 0.5662 0.6993 0.6993 0.7860 0.7860 0.9533 0.9533 1.1482 1.1482 1.2279 1.2279 1.3638 1.3638 1.5618 1.5618 1.6707 1.6707 1.7317 1.7317 9.5176 9.5176 9.5642 9.5642 9.9252 9.9252 10.7797 10.7797 13.3491 13.3491 13.3982 13.3982 k = 0.2297 0.1326-0.0000 ( 11842 PWs) bands (ev): -57.0171 -57.0171 -38.7792 -38.7792 -38.7599 -38.7599 -31.4079 -31.4079 -24.0204 -24.0204 -24.0138 -24.0138 -18.3396 -18.3396 -17.9525 -17.9525 -17.9441 -17.9441 -17.6536 -17.6536 -17.2505 -17.2505 -17.1972 -17.1972 -1.2531 -1.2531 -1.0401 -1.0401 -1.0148 -1.0148 -0.7093 -0.7093 -0.1374 -0.1374 -0.0688 -0.0688 0.2259 0.2259 0.4875 0.4875 0.5849 0.5849 0.6863 0.6863 0.8090 0.8090 0.9608 0.9608 1.1721 1.1721 1.1864 1.1864 1.3521 1.3521 1.5588 1.5588 1.6694 1.6694 1.7289 1.7289 9.5071 9.5071 9.5585 9.5585 9.9180 9.9180 10.8464 10.8464 13.3485 13.3485 13.4054 13.4054 k = 0.2432 0.1404-0.0000 ( 11838 PWs) bands (ev): -57.0171 -57.0171 -38.7789 -38.7789 -38.7602 -38.7602 -31.4079 -31.4079 -24.0207 -24.0207 -24.0142 -24.0142 -18.3304 -18.3304 -17.9525 -17.9525 -17.9431 -17.9431 -17.6578 -17.6578 -17.2577 -17.2577 -17.1961 -17.1961 -1.2505 -1.2505 -1.0144 -1.0144 -0.9949 -0.9949 -0.7105 -0.7105 -0.1426 -0.1426 -0.0838 -0.0838 0.2121 0.2121 0.4655 0.4655 0.6013 0.6013 0.6764 0.6764 0.8336 0.8336 0.9676 0.9676 1.1434 1.1434 1.1930 1.1930 1.3437 1.3437 1.5555 1.5555 1.6676 1.6676 1.7260 1.7260 9.4962 9.4962 9.5527 9.5527 9.9107 9.9107 10.9155 10.9155 13.3463 13.3463 13.4163 13.4163 k = 0.2568 0.1482-0.0000 ( 11848 PWs) bands (ev): -57.0171 -57.0171 -38.7786 -38.7786 -38.7605 -38.7605 -31.4080 -31.4080 -24.0210 -24.0210 -24.0146 -24.0146 -18.3211 -18.3211 -17.9524 -17.9524 -17.9419 -17.9419 -17.6623 -17.6623 -17.2651 -17.2651 -17.1949 -17.1949 -1.2482 -1.2482 -0.9888 -0.9888 -0.9733 -0.9733 -0.7114 -0.7114 -0.1458 -0.1458 -0.0974 -0.0974 0.1983 0.1983 0.4407 0.4407 0.6078 0.6078 0.6765 0.6765 0.8583 0.8583 0.9734 0.9734 1.0996 1.0996 1.2086 1.2086 1.3408 1.3408 1.5521 1.5521 1.6653 1.6653 1.7232 1.7232 9.4851 9.4851 9.5469 9.5469 9.9035 9.9035 10.9867 10.9867 13.3431 13.3431 13.4305 13.4305 k = 0.2703 0.1560-0.0000 ( 11864 PWs) bands (ev): -57.0171 -57.0171 -38.7783 -38.7783 -38.7608 -38.7608 -31.4080 -31.4080 -24.0213 -24.0213 -24.0150 -24.0150 -18.3117 -18.3117 -17.9522 -17.9522 -17.9405 -17.9405 -17.6672 -17.6672 -17.2725 -17.2725 -17.1936 -17.1936 -1.2462 -1.2462 -0.9638 -0.9638 -0.9498 -0.9498 -0.7121 -0.7121 -0.1469 -0.1469 -0.1094 -0.1094 0.1848 0.1848 0.4138 0.4138 0.6020 0.6020 0.6889 0.6889 0.8816 0.8816 0.9781 0.9781 1.0555 1.0555 1.2181 1.2181 1.3448 1.3448 1.5483 1.5483 1.6625 1.6625 1.7205 1.7205 9.4739 9.4739 9.5410 9.5410 9.8963 9.8963 11.0597 11.0597 13.3391 13.3391 13.4477 13.4477 k = 0.2838 0.1638-0.0000 ( 11880 PWs) bands (ev): -57.0171 -57.0171 -38.7779 -38.7779 -38.7611 -38.7611 -31.4081 -31.4081 -24.0217 -24.0217 -24.0153 -24.0153 -18.3023 -18.3023 -17.9519 -17.9519 -17.9389 -17.9389 -17.6725 -17.6725 -17.2800 -17.2800 -17.1922 -17.1922 -1.2444 -1.2444 -0.9394 -0.9394 -0.9247 -0.9247 -0.7124 -0.7124 -0.1461 -0.1461 -0.1194 -0.1194 0.1716 0.1716 0.3852 0.3852 0.5897 0.5897 0.7073 0.7073 0.9019 0.9019 0.9817 0.9817 1.0122 1.0122 1.2222 1.2222 1.3556 1.3556 1.5442 1.5442 1.6592 1.6592 1.7178 1.7178 9.4627 9.4627 9.5352 9.5352 9.8893 9.8893 11.1343 11.1343 13.3346 13.3346 13.4674 13.4674 k = 0.2973 0.1716-0.0000 ( 11872 PWs) bands (ev): -57.0171 -57.0171 -38.7776 -38.7776 -38.7615 -38.7615 -31.4081 -31.4081 -24.0221 -24.0221 -24.0155 -24.0155 -18.2929 -18.2929 -17.9515 -17.9515 -17.9370 -17.9370 -17.6781 -17.6781 -17.2874 -17.2874 -17.1908 -17.1908 -1.2430 -1.2430 -0.9151 -0.9151 -0.8990 -0.8990 -0.7126 -0.7126 -0.1443 -0.1443 -0.1267 -0.1267 0.1589 0.1589 0.3553 0.3553 0.5751 0.5751 0.7269 0.7269 0.9157 0.9157 0.9652 0.9652 0.9924 0.9924 1.2233 1.2233 1.3713 1.3713 1.5398 1.5398 1.6554 1.6554 1.7152 1.7152 9.4516 9.4516 9.5295 9.5295 9.8824 9.8824 11.2101 11.2101 13.3298 13.3298 13.4895 13.4895 k = 0.3108 0.1794-0.0000 ( 11882 PWs) bands (ev): -57.0171 -57.0171 -38.7772 -38.7772 -38.7618 -38.7618 -31.4081 -31.4081 -24.0226 -24.0226 -24.0157 -24.0157 -18.2836 -18.2836 -17.9511 -17.9511 -17.9349 -17.9349 -17.6840 -17.6840 -17.2948 -17.2948 -17.1894 -17.1894 -1.2418 -1.2418 -0.8904 -0.8904 -0.8732 -0.8732 -0.7125 -0.7125 -0.1442 -0.1442 -0.1285 -0.1285 0.1468 0.1468 0.3244 0.3244 0.5598 0.5598 0.7448 0.7448 0.9133 0.9133 0.9324 0.9324 1.0028 1.0028 1.2238 1.2238 1.3895 1.3895 1.5350 1.5350 1.6513 1.6513 1.7126 1.7126 9.4406 9.4406 9.5238 9.5238 9.8758 9.8758 11.2867 11.2867 13.3248 13.3248 13.5136 13.5136 k = 0.3243 0.1872-0.0000 ( 11866 PWs) bands (ev): -57.0171 -57.0171 -38.7769 -38.7769 -38.7622 -38.7622 -31.4082 -31.4082 -24.0230 -24.0230 -24.0159 -24.0159 -18.2746 -18.2746 -17.9506 -17.9506 -17.9325 -17.9325 -17.6903 -17.6903 -17.3020 -17.3020 -17.1879 -17.1879 -1.2410 -1.2410 -0.8652 -0.8652 -0.8479 -0.8479 -0.7123 -0.7123 -0.1472 -0.1472 -0.1232 -0.1232 0.1354 0.1354 0.2931 0.2931 0.5443 0.5443 0.7574 0.7574 0.8827 0.8827 0.9222 0.9222 1.0195 1.0195 1.2253 1.2253 1.4087 1.4087 1.5298 1.5298 1.6468 1.6468 1.7100 1.7100 9.4299 9.4299 9.5184 9.5184 9.8695 9.8695 11.3638 11.3638 13.3197 13.3197 13.5395 13.5395 k = 0.3378 0.1951-0.0000 ( 11866 PWs) bands (ev): -57.0171 -57.0171 -38.7765 -38.7765 -38.7625 -38.7625 -31.4082 -31.4082 -24.0235 -24.0235 -24.0160 -24.0160 -18.2658 -18.2658 -17.9500 -17.9500 -17.9298 -17.9298 -17.6968 -17.6968 -17.3089 -17.3089 -17.1864 -17.1864 -1.2404 -1.2404 -0.8396 -0.8396 -0.8236 -0.8236 -0.7119 -0.7119 -0.1508 -0.1508 -0.1137 -0.1137 0.1248 0.1248 0.2618 0.2618 0.5288 0.5288 0.7568 0.7568 0.8585 0.8585 0.9114 0.9114 1.0392 1.0392 1.2284 1.2284 1.4278 1.4278 1.5243 1.5243 1.6422 1.6422 1.7073 1.7073 9.4196 9.4196 9.5131 9.5131 9.8635 9.8635 11.4407 11.4407 13.3145 13.3145 13.5669 13.5669 k = 0.3514 0.2029-0.0000 ( 11874 PWs) bands (ev): -57.0171 -57.0171 -38.7762 -38.7762 -38.7629 -38.7629 -31.4083 -31.4083 -24.0240 -24.0240 -24.0161 -24.0161 -18.2575 -18.2575 -17.9494 -17.9494 -17.9268 -17.9268 -17.7035 -17.7035 -17.3156 -17.3156 -17.1850 -17.1850 -1.2401 -1.2401 -0.8139 -0.8139 -0.8003 -0.8003 -0.7112 -0.7112 -0.1535 -0.1535 -0.1016 -0.1016 0.1150 0.1150 0.2313 0.2313 0.5132 0.5132 0.7360 0.7360 0.8525 0.8525 0.8976 0.8976 1.0600 1.0600 1.2331 1.2331 1.4461 1.4461 1.5186 1.5186 1.6377 1.6377 1.7046 1.7046 9.4096 9.4096 9.5080 9.5080 9.8578 9.8578 11.5171 11.5171 13.3092 13.3092 13.5955 13.5955 k = 0.3649 0.2107-0.0000 ( 11866 PWs) bands (ev): -57.0171 -57.0171 -38.7758 -38.7758 -38.7632 -38.7632 -31.4083 -31.4083 -24.0244 -24.0244 -24.0162 -24.0162 -18.2495 -18.2495 -17.9488 -17.9488 -17.9236 -17.9236 -17.7104 -17.7104 -17.3220 -17.3220 -17.1836 -17.1836 -1.2400 -1.2400 -0.7885 -0.7885 -0.7781 -0.7781 -0.7102 -0.7102 -0.1553 -0.1553 -0.0873 -0.0873 0.1053 0.1053 0.2026 0.2026 0.4975 0.4975 0.7015 0.7015 0.8558 0.8558 0.8851 0.8851 1.0808 1.0808 1.2391 1.2391 1.4630 1.4630 1.5129 1.5129 1.6333 1.6333 1.7017 1.7017 9.4002 9.4002 9.5033 9.5033 9.8525 9.8525 11.5923 11.5923 13.3038 13.3038 13.6250 13.6250 k = 0.3784 0.2185-0.0000 ( 11864 PWs) bands (ev): -57.0171 -57.0171 -38.7755 -38.7755 -38.7635 -38.7635 -31.4083 -31.4083 -24.0248 -24.0248 -24.0163 -24.0163 -18.2421 -18.2421 -17.9482 -17.9482 -17.9201 -17.9201 -17.7173 -17.7173 -17.3279 -17.3279 -17.1822 -17.1822 -1.2400 -1.2400 -0.7651 -0.7651 -0.7565 -0.7565 -0.7083 -0.7083 -0.1565 -0.1565 -0.0712 -0.0712 0.0948 0.0948 0.1776 0.1776 0.4815 0.4815 0.6622 0.6622 0.8498 0.8498 0.8847 0.8847 1.1010 1.1010 1.2462 1.2462 1.4775 1.4775 1.5078 1.5078 1.6295 1.6295 1.6986 1.6986 9.3914 9.3914 9.4988 9.4988 9.8476 9.8476 11.6657 11.6657 13.2985 13.2985 13.6548 13.6548 k = 0.3919 0.2263-0.0000 ( 11856 PWs) bands (ev): -57.0171 -57.0171 -38.7752 -38.7752 -38.7639 -38.7639 -31.4083 -31.4083 -24.0252 -24.0252 -24.0163 -24.0163 -18.2353 -18.2353 -17.9476 -17.9476 -17.9164 -17.9164 -17.7242 -17.7242 -17.3334 -17.3334 -17.1810 -17.1810 -1.2402 -1.2402 -0.7454 -0.7454 -0.7358 -0.7358 -0.7037 -0.7037 -0.1574 -0.1574 -0.0535 -0.0535 0.0816 0.0816 0.1589 0.1589 0.4652 0.4652 0.6219 0.6219 0.8339 0.8339 0.8948 0.8948 1.1203 1.1203 1.2538 1.2538 1.4865 1.4865 1.5064 1.5064 1.6265 1.6265 1.6952 1.6952 9.3833 9.3833 9.4947 9.4947 9.8432 9.8432 11.7363 11.7363 13.2931 13.2931 13.6845 13.6845 k = 0.4054 0.2341-0.0000 ( 11856 PWs) bands (ev): -57.0171 -57.0171 -38.7749 -38.7749 -38.7642 -38.7642 -31.4084 -31.4084 -24.0256 -24.0256 -24.0163 -24.0163 -18.2291 -18.2291 -17.9471 -17.9471 -17.9125 -17.9125 -17.7309 -17.7309 -17.3384 -17.3384 -17.1799 -17.1799 -1.2405 -1.2405 -0.7293 -0.7293 -0.7222 -0.7222 -0.6911 -0.6911 -0.1585 -0.1585 -0.0346 -0.0346 0.0647 0.0647 0.1484 0.1484 0.4485 0.4485 0.5821 0.5821 0.8162 0.8162 0.9067 0.9067 1.1383 1.1383 1.2617 1.2617 1.4860 1.4860 1.5122 1.5122 1.6248 1.6248 1.6915 1.6915 9.3759 9.3759 9.4910 9.4910 9.8392 9.8392 11.8032 11.8032 13.2877 13.2877 13.7135 13.7135 k = 0.4189 0.2419-0.0000 ( 11868 PWs) bands (ev): -57.0171 -57.0171 -38.7746 -38.7746 -38.7645 -38.7645 -31.4084 -31.4084 -24.0259 -24.0259 -24.0164 -24.0164 -18.2237 -18.2237 -17.9465 -17.9465 -17.9087 -17.9087 -17.7374 -17.7374 -17.3428 -17.3428 -17.1788 -17.1788 -1.2408 -1.2408 -0.7185 -0.7185 -0.7144 -0.7144 -0.6705 -0.6705 -0.1603 -0.1603 -0.0153 -0.0153 0.0456 0.0456 0.1454 0.1454 0.4314 0.4314 0.5440 0.5440 0.7990 0.7990 0.9180 0.9180 1.1547 1.1547 1.2695 1.2695 1.4810 1.4810 1.5201 1.5201 1.6246 1.6246 1.6875 1.6875 9.3694 9.3694 9.4877 9.4877 9.8358 9.8358 11.8654 11.8654 13.2824 13.2824 13.7412 13.7412 k = 0.4324 0.2497-0.0000 ( 11868 PWs) bands (ev): -57.0171 -57.0171 -38.7743 -38.7743 -38.7647 -38.7647 -31.4084 -31.4084 -24.0262 -24.0262 -24.0164 -24.0164 -18.2190 -18.2190 -17.9461 -17.9461 -17.9049 -17.9049 -17.7434 -17.7434 -17.3467 -17.3467 -17.1780 -17.1780 -1.2411 -1.2411 -0.7160 -0.7160 -0.7037 -0.7037 -0.6481 -0.6481 -0.1632 -0.1632 0.0020 0.0020 0.0288 0.0288 0.1480 0.1480 0.4141 0.4141 0.5084 0.5084 0.7834 0.7834 0.9280 0.9280 1.1693 1.1693 1.2768 1.2768 1.4752 1.4752 1.5266 1.5266 1.6262 1.6262 1.6831 1.6831 9.3638 9.3638 9.4849 9.4849 9.8328 9.8328 11.9215 11.9215 13.2772 13.2772 13.7666 13.7666 k = 0.4459 0.2575-0.0000 ( 11876 PWs) bands (ev): -57.0171 -57.0171 -38.7741 -38.7741 -38.7650 -38.7650 -31.4084 -31.4084 -24.0265 -24.0265 -24.0164 -24.0164 -18.2151 -18.2151 -17.9457 -17.9457 -17.9014 -17.9014 -17.7487 -17.7487 -17.3498 -17.3498 -17.1772 -17.1772 -1.2415 -1.2415 -0.7150 -0.7150 -0.6947 -0.6947 -0.6270 -0.6270 -0.1671 -0.1671 0.0021 0.0021 0.0308 0.0308 0.1541 0.1541 0.3969 0.3969 0.4762 0.4762 0.7700 0.7700 0.9365 0.9365 1.1819 1.1819 1.2834 1.2834 1.4696 1.4696 1.5311 1.5311 1.6295 1.6295 1.6784 1.6784 9.3591 9.3591 9.4825 9.4825 9.8303 9.8303 11.9703 11.9703 13.2725 13.2725 13.7891 13.7891 k = 0.4595 0.2653-0.0000 ( 11878 PWs) bands (ev): -57.0171 -57.0171 -38.7739 -38.7739 -38.7652 -38.7652 -31.4084 -31.4084 -24.0267 -24.0267 -24.0164 -24.0164 -18.2120 -18.2120 -17.9453 -17.9453 -17.8984 -17.8984 -17.7532 -17.7532 -17.3524 -17.3524 -17.1766 -17.1766 -1.2418 -1.2418 -0.7144 -0.7144 -0.6877 -0.6877 -0.6086 -0.6086 -0.1719 -0.1719 -0.0097 -0.0097 0.0464 0.0464 0.1621 0.1621 0.3807 0.3807 0.4489 0.4489 0.7592 0.7592 0.9433 0.9433 1.1920 1.1920 1.2890 1.2890 1.4646 1.4646 1.5338 1.5338 1.6342 1.6342 1.6732 1.6732 9.3554 9.3554 9.4807 9.4807 9.8284 9.8284 12.0103 12.0103 13.2683 13.2683 13.8077 13.8077 k = 0.4730 0.2731-0.0000 ( 11874 PWs) bands (ev): -57.0171 -57.0171 -38.7738 -38.7738 -38.7653 -38.7653 -31.4084 -31.4084 -24.0268 -24.0268 -24.0164 -24.0164 -18.2098 -18.2098 -17.9451 -17.9451 -17.8960 -17.8960 -17.7567 -17.7567 -17.3542 -17.3542 -17.1762 -17.1762 -1.2420 -1.2420 -0.7141 -0.7141 -0.6828 -0.6828 -0.5943 -0.5943 -0.1765 -0.1765 -0.0194 -0.0194 0.0607 0.0607 0.1701 0.1701 0.3667 0.3667 0.4277 0.4277 0.7513 0.7513 0.9482 0.9482 1.1995 1.1995 1.2933 1.2933 1.4607 1.4607 1.5352 1.5352 1.6397 1.6397 1.6679 1.6679 9.3527 9.3527 9.4794 9.4794 9.8271 9.8271 12.0400 12.0400 13.2650 13.2650 13.8217 13.8217 k = 0.4865 0.2809-0.0000 ( 11878 PWs) bands (ev): -57.0171 -57.0171 -38.7737 -38.7737 -38.7654 -38.7654 -31.4085 -31.4085 -24.0269 -24.0269 -24.0164 -24.0164 -18.2085 -18.2085 -17.9450 -17.9450 -17.8945 -17.8945 -17.7588 -17.7588 -17.3553 -17.3553 -17.1759 -17.1759 -1.2421 -1.2421 -0.7139 -0.7139 -0.6799 -0.6799 -0.5852 -0.5852 -0.1800 -0.1800 -0.0253 -0.0253 0.0704 0.0704 0.1762 0.1762 0.3569 0.3569 0.4142 0.4142 0.7465 0.7465 0.9511 0.9511 1.2041 1.2041 1.2960 1.2960 1.4582 1.4582 1.5359 1.5359 1.6451 1.6451 1.6628 1.6628 9.3511 9.3511 9.4786 9.4786 9.8262 9.8262 12.0584 12.0584 13.2629 13.2629 13.8304 13.8304 k = 0.5000 0.2887-0.0000 ( 11870 PWs) bands (ev): -57.0171 -57.0171 -38.7736 -38.7736 -38.7654 -38.7654 -31.4085 -31.4085 -24.0269 -24.0269 -24.0164 -24.0164 -18.2080 -18.2080 -17.9449 -17.9449 -17.8939 -17.8939 -17.7596 -17.7596 -17.3556 -17.3556 -17.1759 -17.1759 -1.2422 -1.2422 -0.7139 -0.7139 -0.6789 -0.6789 -0.5820 -0.5820 -0.1813 -0.1813 -0.0272 -0.0272 0.0739 0.0739 0.1785 0.1785 0.3533 0.3533 0.4096 0.4096 0.7449 0.7449 0.9521 0.9521 1.2057 1.2057 1.2969 1.2969 1.4574 1.4574 1.5360 1.5360 1.6480 1.6480 1.6600 1.6600 9.3506 9.3506 9.4783 9.4783 9.8259 9.8259 12.0647 12.0647 13.2622 13.2622 13.8333 13.8333 k = 0.5000 0.2887-0.0000 ( 11870 PWs) bands (ev): -57.0171 -57.0171 -38.7736 -38.7736 -38.7654 -38.7654 -31.4085 -31.4085 -24.0269 -24.0269 -24.0164 -24.0164 -18.2080 -18.2080 -17.9449 -17.9449 -17.8939 -17.8939 -17.7596 -17.7596 -17.3556 -17.3556 -17.1759 -17.1759 -1.2422 -1.2422 -0.7139 -0.7139 -0.6789 -0.6789 -0.5820 -0.5820 -0.1813 -0.1813 -0.0272 -0.0272 0.0739 0.0739 0.1785 0.1785 0.3533 0.3533 0.4096 0.4096 0.7449 0.7449 0.9521 0.9521 1.2057 1.2057 1.2969 1.2969 1.4574 1.4574 1.5360 1.5360 1.6480 1.6480 1.6600 1.6600 9.3506 9.3506 9.4783 9.4783 9.8259 9.8259 12.0647 12.0647 13.2622 13.2622 13.8333 13.8333 k = 0.4924 0.3018-0.0000 ( 11876 PWs) bands (ev): -57.0171 -57.0171 -38.7736 -38.7736 -38.7654 -38.7654 -31.4085 -31.4085 -24.0269 -24.0269 -24.0164 -24.0164 -18.2078 -18.2078 -17.9449 -17.9449 -17.8942 -17.8942 -17.7595 -17.7595 -17.3557 -17.3557 -17.1759 -17.1759 -1.2412 -1.2412 -0.7133 -0.7133 -0.6794 -0.6794 -0.5830 -0.5830 -0.1803 -0.1803 -0.0272 -0.0272 0.0729 0.0729 0.1747 0.1747 0.3547 0.3547 0.4128 0.4128 0.7447 0.7447 0.9524 0.9524 1.2045 1.2045 1.2959 1.2959 1.4575 1.4575 1.5369 1.5369 1.6481 1.6481 1.6601 1.6601 9.3507 9.3507 9.4781 9.4781 9.8257 9.8257 12.0665 12.0665 13.2615 13.2615 13.8350 13.8350 k = 0.4848 0.3149-0.0000 ( 11888 PWs) bands (ev): -57.0171 -57.0171 -38.7736 -38.7736 -38.7655 -38.7655 -31.4085 -31.4085 -24.0269 -24.0269 -24.0165 -24.0165 -18.2070 -18.2070 -17.9450 -17.9450 -17.8950 -17.8950 -17.7592 -17.7592 -17.3559 -17.3559 -17.1759 -17.1759 -1.2382 -1.2382 -0.7115 -0.7115 -0.6809 -0.6809 -0.5860 -0.5860 -0.1774 -0.1774 -0.0275 -0.0275 0.0702 0.0702 0.1640 0.1640 0.3583 0.3583 0.4223 0.4223 0.7442 0.7442 0.9531 0.9531 1.2009 1.2009 1.2929 1.2929 1.4578 1.4578 1.5396 1.5396 1.6484 1.6484 1.6604 1.6604 9.3510 9.3510 9.4775 9.4775 9.8250 9.8250 12.0719 12.0719 13.2596 13.2596 13.8402 13.8402 k = 0.4773 0.3280-0.0000 ( 11886 PWs) bands (ev): -57.0171 -57.0171 -38.7736 -38.7736 -38.7655 -38.7655 -31.4085 -31.4085 -24.0268 -24.0268 -24.0166 -24.0166 -18.2057 -18.2057 -17.9450 -17.9450 -17.8962 -17.8962 -17.7588 -17.7588 -17.3563 -17.3563 -17.1760 -17.1760 -1.2332 -1.2332 -0.7085 -0.7085 -0.6833 -0.6833 -0.5908 -0.5908 -0.1728 -0.1728 -0.0287 -0.0287 0.0666 0.0666 0.1485 0.1485 0.3632 0.3632 0.4367 0.4367 0.7433 0.7433 0.9544 0.9544 1.1951 1.1951 1.2879 1.2879 1.4583 1.4583 1.5439 1.5439 1.6488 1.6488 1.6609 1.6609 9.3515 9.3515 9.4766 9.4766 9.8238 9.8238 12.0809 12.0809 13.2566 13.2566 13.8488 13.8488 k = 0.4697 0.3412-0.0000 ( 11882 PWs) bands (ev): -57.0171 -57.0171 -38.7735 -38.7735 -38.7656 -38.7656 -31.4085 -31.4085 -24.0268 -24.0268 -24.0167 -24.0167 -18.2039 -18.2039 -17.9451 -17.9451 -17.8980 -17.8980 -17.7582 -17.7582 -17.3568 -17.3568 -17.1761 -17.1761 -1.2263 -1.2263 -0.7044 -0.7044 -0.6866 -0.6866 -0.5972 -0.5972 -0.1671 -0.1671 -0.0318 -0.0318 0.0633 0.0633 0.1306 0.1306 0.3686 0.3686 0.4546 0.4546 0.7421 0.7421 0.9562 0.9562 1.1874 1.1874 1.2812 1.2812 1.4589 1.4589 1.5495 1.5495 1.6495 1.6495 1.6616 1.6616 9.3522 9.3522 9.4753 9.4753 9.8221 9.8221 12.0936 12.0936 13.2524 13.2524 13.8605 13.8605 k = 0.4621 0.3543-0.0000 ( 11872 PWs) bands (ev): -57.0171 -57.0171 -38.7734 -38.7734 -38.7656 -38.7656 -31.4085 -31.4085 -24.0267 -24.0267 -24.0168 -24.0168 -18.2016 -18.2016 -17.9452 -17.9452 -17.9001 -17.9001 -17.7574 -17.7574 -17.3574 -17.3574 -17.1761 -17.1761 -1.2174 -1.2174 -0.6997 -0.6997 -0.6905 -0.6905 -0.6047 -0.6047 -0.1607 -0.1607 -0.0379 -0.0379 0.0607 0.0607 0.1128 0.1128 0.3741 0.3741 0.4747 0.4747 0.7403 0.7403 0.9585 0.9585 1.1781 1.1781 1.2728 1.2728 1.4596 1.4596 1.5562 1.5562 1.6503 1.6503 1.6625 1.6625 9.3530 9.3530 9.4736 9.4736 9.8201 9.8201 12.1098 12.1098 13.2475 13.2475 13.8751 13.8751 k = 0.4545 0.3674-0.0000 ( 11872 PWs) bands (ev): -57.0171 -57.0171 -38.7733 -38.7733 -38.7657 -38.7657 -31.4085 -31.4085 -24.0267 -24.0267 -24.0170 -24.0170 -18.1988 -18.1988 -17.9454 -17.9454 -17.9027 -17.9027 -17.7566 -17.7566 -17.3582 -17.3582 -17.1762 -17.1762 -1.2067 -1.2067 -0.6983 -0.6983 -0.6910 -0.6910 -0.6130 -0.6130 -0.1546 -0.1546 -0.0477 -0.0477 0.0572 0.0572 0.0994 0.0994 0.3794 0.3794 0.4958 0.4958 0.7381 0.7381 0.9612 0.9612 1.1675 1.1675 1.2630 1.2630 1.4604 1.4604 1.5637 1.5637 1.6513 1.6513 1.6636 1.6636 9.3541 9.3541 9.4716 9.4716 9.8176 9.8176 12.1296 12.1296 13.2418 13.2418 13.8921 13.8921 k = 0.4470 0.3805-0.0000 ( 11868 PWs) bands (ev): -57.0171 -57.0171 -38.7732 -38.7732 -38.7659 -38.7659 -31.4085 -31.4085 -24.0266 -24.0266 -24.0172 -24.0172 -18.1956 -18.1956 -17.9455 -17.9455 -17.9057 -17.9057 -17.7556 -17.7556 -17.3592 -17.3592 -17.1763 -17.1763 -1.1941 -1.1941 -0.7034 -0.7034 -0.6853 -0.6853 -0.6214 -0.6214 -0.1496 -0.1496 -0.0609 -0.0609 0.0486 0.0486 0.0960 0.0960 0.3842 0.3842 0.5172 0.5172 0.7352 0.7352 0.9644 0.9644 1.1559 1.1559 1.2519 1.2519 1.4613 1.4613 1.5717 1.5717 1.6525 1.6525 1.6647 1.6647 9.3553 9.3553 9.4692 9.4692 9.8148 9.8148 12.1531 12.1531 13.2357 13.2357 13.9097 13.9097 k = 0.4394 0.3936-0.0000 ( 11868 PWs) bands (ev): -57.0171 -57.0171 -38.7730 -38.7730 -38.7660 -38.7660 -31.4085 -31.4085 -24.0265 -24.0265 -24.0174 -24.0174 -18.1920 -18.1920 -17.9457 -17.9457 -17.9089 -17.9089 -17.7546 -17.7546 -17.3602 -17.3602 -17.1764 -17.1764 -1.1798 -1.1798 -0.7102 -0.7102 -0.6794 -0.6794 -0.6285 -0.6285 -0.1470 -0.1470 -0.0768 -0.0768 0.0361 0.0361 0.1024 0.1024 0.3884 0.3884 0.5382 0.5382 0.7315 0.7315 0.9680 0.9680 1.1438 1.1438 1.2398 1.2398 1.4622 1.4622 1.5800 1.5800 1.6538 1.6538 1.6659 1.6659 9.3567 9.3567 9.4666 9.4666 9.8118 9.8118 12.1800 12.1800 13.2292 13.2292 13.9112 13.9112 k = 0.4318 0.4068-0.0000 ( 11860 PWs) bands (ev): -57.0171 -57.0171 -38.7729 -38.7729 -38.7661 -38.7661 -31.4085 -31.4085 -24.0264 -24.0264 -24.0176 -24.0176 -18.1881 -18.1881 -17.9459 -17.9459 -17.9124 -17.9124 -17.7536 -17.7536 -17.3615 -17.3615 -17.1765 -17.1765 -1.1637 -1.1637 -0.7178 -0.7178 -0.6763 -0.6763 -0.6320 -0.6320 -0.1482 -0.1482 -0.0947 -0.0947 0.0245 0.0245 0.1145 0.1145 0.3918 0.3918 0.5585 0.5585 0.7269 0.7269 0.9720 0.9720 1.1313 1.1313 1.2269 1.2269 1.4631 1.4631 1.5883 1.5883 1.6554 1.6554 1.6672 1.6672 9.3582 9.3582 9.4636 9.4636 9.8084 9.8084 12.2105 12.2105 13.2226 13.2226 13.8734 13.8734 k = 0.4242 0.4199-0.0000 ( 11854 PWs) bands (ev): -57.0171 -57.0171 -38.7727 -38.7727 -38.7663 -38.7663 -31.4085 -31.4085 -24.0263 -24.0263 -24.0178 -24.0178 -18.1839 -18.1839 -17.9462 -17.9462 -17.9161 -17.9161 -17.7525 -17.7525 -17.3628 -17.3628 -17.1765 -17.1765 -1.1460 -1.1460 -0.7261 -0.7261 -0.6786 -0.6786 -0.6288 -0.6288 -0.1543 -0.1543 -0.1139 -0.1139 0.0168 0.0168 0.1299 0.1299 0.3944 0.3944 0.5776 0.5776 0.7213 0.7213 0.9764 0.9764 1.1189 1.1189 1.2134 1.2134 1.4641 1.4641 1.5964 1.5964 1.6571 1.6571 1.6686 1.6686 9.3599 9.3599 9.4603 9.4603 9.8050 9.8050 12.2444 12.2444 13.2161 13.2161 13.8250 13.8250 k = 0.4167 0.4330-0.0000 ( 11848 PWs) bands (ev): -57.0171 -57.0171 -38.7725 -38.7725 -38.7665 -38.7665 -31.4085 -31.4085 -24.0262 -24.0262 -24.0181 -24.0181 -18.1794 -18.1794 -17.9465 -17.9465 -17.9199 -17.9199 -17.7515 -17.7515 -17.3642 -17.3642 -17.1765 -17.1765 -1.1269 -1.1269 -0.7351 -0.7351 -0.6857 -0.6857 -0.6196 -0.6196 -0.1655 -0.1655 -0.1338 -0.1338 0.0138 0.0138 0.1476 0.1476 0.3963 0.3963 0.5952 0.5952 0.7145 0.7145 0.9811 0.9811 1.1068 1.1068 1.1997 1.1997 1.4652 1.4652 1.6042 1.6042 1.6589 1.6589 1.6699 1.6699 9.3617 9.3617 9.4567 9.4567 9.8014 9.8014 12.2818 12.2818 13.2097 13.2097 13.7723 13.7723 k = 0.4091 0.4461-0.0000 ( 11848 PWs) bands (ev): -57.0171 -57.0171 -38.7723 -38.7723 -38.7667 -38.7667 -31.4085 -31.4085 -24.0261 -24.0261 -24.0183 -24.0183 -18.1747 -18.1747 -17.9468 -17.9468 -17.9237 -17.9237 -17.7505 -17.7505 -17.3658 -17.3658 -17.1764 -17.1764 -1.1063 -1.1063 -0.7448 -0.7448 -0.6954 -0.6954 -0.6065 -0.6065 -0.1811 -0.1811 -0.1543 -0.1543 0.0152 0.0152 0.1668 0.1668 0.3976 0.3976 0.6109 0.6109 0.7065 0.7065 0.9861 0.9861 1.0954 1.0954 1.1859 1.1859 1.4662 1.4662 1.6114 1.6114 1.6609 1.6609 1.6712 1.6712 9.3636 9.3636 9.4530 9.4530 9.7978 9.7978 12.3224 12.3224 13.2035 13.2035 13.7164 13.7164 k = 0.4015 0.4593-0.0000 ( 11863 PWs) bands (ev): -57.0171 -57.0171 -38.7721 -38.7721 -38.7669 -38.7669 -31.4085 -31.4085 -24.0260 -24.0260 -24.0186 -24.0186 -18.1700 -18.1700 -17.9472 -17.9472 -17.9275 -17.9275 -17.7495 -17.7495 -17.3674 -17.3674 -17.1764 -17.1764 -1.0844 -1.0844 -0.7550 -0.7550 -0.7062 -0.7062 -0.5908 -0.5908 -0.1995 -0.1995 -0.1751 -0.1751 0.0198 0.0198 0.1867 0.1867 0.3987 0.3987 0.6244 0.6244 0.6972 0.6972 0.9914 0.9914 1.0848 1.0848 1.1722 1.1722 1.4673 1.4673 1.6180 1.6180 1.6630 1.6630 1.6725 1.6725 9.3657 9.3657 9.4491 9.4491 9.7943 9.7943 12.3661 12.3661 13.1977 13.1977 13.6580 13.6580 k = 0.3939 0.4724-0.0000 ( 11855 PWs) bands (ev): -57.0171 -57.0171 -38.7719 -38.7719 -38.7672 -38.7672 -31.4085 -31.4085 -24.0259 -24.0259 -24.0188 -24.0188 -18.1653 -18.1653 -17.9476 -17.9476 -17.9311 -17.9311 -17.7487 -17.7487 -17.3690 -17.3690 -17.1762 -17.1762 -1.0614 -1.0614 -0.7659 -0.7659 -0.7175 -0.7175 -0.5732 -0.5732 -0.2196 -0.2196 -0.1960 -0.1960 0.0267 0.0267 0.2066 0.2066 0.4000 0.4000 0.6353 0.6353 0.6869 0.6869 0.9969 0.9969 1.0754 1.0754 1.1590 1.1590 1.4685 1.4685 1.6239 1.6239 1.6651 1.6651 1.6738 1.6738 9.3677 9.3677 9.4451 9.4451 9.7908 9.7908 12.4127 12.4127 13.1923 13.1923 13.5976 13.5976 k = 0.3864 0.4855-0.0000 ( 11861 PWs) bands (ev): -57.0171 -57.0171 -38.7716 -38.7716 -38.7674 -38.7674 -31.4085 -31.4085 -24.0258 -24.0258 -24.0190 -24.0190 -18.1607 -18.1607 -17.9482 -17.9482 -17.9344 -17.9344 -17.7479 -17.7479 -17.3706 -17.3706 -17.1761 -17.1761 -1.0374 -1.0374 -0.7773 -0.7773 -0.7289 -0.7289 -0.5539 -0.5539 -0.2405 -0.2405 -0.2169 -0.2169 0.0348 0.0348 0.2256 0.2256 0.4019 0.4019 0.6429 0.6429 0.6760 0.6760 1.0027 1.0027 1.0674 1.0674 1.1463 1.1463 1.4697 1.4697 1.6291 1.6291 1.6672 1.6672 1.6750 1.6750 9.3698 9.3698 9.4411 9.4411 9.7876 9.7876 12.4620 12.4620 13.1872 13.1872 13.5359 13.5359 k = 0.3788 0.4986-0.0000 ( 11851 PWs) bands (ev): -57.0171 -57.0171 -38.7714 -38.7714 -38.7677 -38.7677 -31.4086 -31.4086 -24.0257 -24.0257 -24.0193 -24.0193 -18.1563 -18.1563 -17.9490 -17.9490 -17.9373 -17.9373 -17.7472 -17.7472 -17.3721 -17.3721 -17.1760 -17.1760 -1.0126 -1.0126 -0.7892 -0.7892 -0.7402 -0.7402 -0.5330 -0.5330 -0.2614 -0.2614 -0.2375 -0.2375 0.0436 0.0436 0.2429 0.2429 0.4051 0.4051 0.6458 0.6458 0.6662 0.6662 1.0087 1.0087 1.0609 1.0609 1.1342 1.1342 1.4708 1.4708 1.6336 1.6336 1.6692 1.6692 1.6761 1.6761 9.3719 9.3719 9.4371 9.4371 9.7847 9.7847 12.5134 12.5134 13.1825 13.1825 13.4737 13.4737 k = 0.3712 0.5117-0.0000 ( 11867 PWs) bands (ev): -57.0171 -57.0171 -38.7711 -38.7711 -38.7680 -38.7680 -31.4086 -31.4086 -24.0256 -24.0256 -24.0194 -24.0194 -18.1522 -18.1522 -17.9499 -17.9499 -17.9397 -17.9397 -17.7467 -17.7467 -17.3736 -17.3736 -17.1758 -17.1758 -0.9873 -0.9873 -0.8016 -0.8016 -0.7514 -0.7514 -0.5106 -0.5106 -0.2821 -0.2821 -0.2575 -0.2575 0.0524 0.0524 0.2574 0.2574 0.4101 0.4101 0.6415 0.6415 0.6607 0.6607 1.0149 1.0149 1.0560 1.0560 1.1229 1.1229 1.4720 1.4720 1.6374 1.6374 1.6709 1.6709 1.6771 1.6771 9.3739 9.3739 9.4333 9.4333 9.7821 9.7821 12.5663 12.5663 13.1778 13.1778 13.4120 13.4120 k = 0.3636 0.5249-0.0000 ( 11861 PWs) bands (ev): -57.0171 -57.0171 -38.7708 -38.7708 -38.7682 -38.7682 -31.4086 -31.4086 -24.0256 -24.0256 -24.0196 -24.0196 -18.1487 -18.1487 -17.9510 -17.9510 -17.9414 -17.9414 -17.7463 -17.7463 -17.3748 -17.3748 -17.1756 -17.1756 -0.9618 -0.9618 -0.8145 -0.8145 -0.7623 -0.7623 -0.4870 -0.4870 -0.3020 -0.3020 -0.2767 -0.2767 0.0608 0.0608 0.2684 0.2684 0.4169 0.4169 0.6323 0.6323 0.6579 0.6579 1.0210 1.0210 1.0528 1.0528 1.1123 1.1123 1.4731 1.4731 1.6405 1.6405 1.6724 1.6724 1.6779 1.6779 9.3758 9.3758 9.4298 9.4298 9.7798 9.7798 12.6195 12.6195 13.1727 13.1727 13.3527 13.3527 k = 0.3561 0.5380-0.0000 ( 11853 PWs) bands (ev): -57.0171 -57.0171 -38.7705 -38.7705 -38.7685 -38.7685 -31.4086 -31.4086 -24.0255 -24.0255 -24.0197 -24.0197 -18.1457 -18.1457 -17.9522 -17.9522 -17.9426 -17.9426 -17.7461 -17.7461 -17.3759 -17.3759 -17.1755 -17.1755 -0.9364 -0.9364 -0.8278 -0.8278 -0.7726 -0.7726 -0.4627 -0.4627 -0.3206 -0.3206 -0.2948 -0.2948 0.0683 0.0683 0.2758 0.2758 0.4248 0.4248 0.6236 0.6236 0.6542 0.6542 1.0268 1.0268 1.0516 1.0516 1.1026 1.1026 1.4741 1.4741 1.6430 1.6430 1.6737 1.6737 1.6783 1.6783 9.3774 9.3774 9.4268 9.4268 9.7781 9.7781 12.6712 12.6712 13.1660 13.1660 13.2991 13.2991 k = 0.3485 0.5511-0.0000 ( 11849 PWs) bands (ev): -57.0171 -57.0171 -38.7702 -38.7702 -38.7689 -38.7689 -31.4086 -31.4086 -24.0255 -24.0255 -24.0198 -24.0198 -18.1435 -18.1435 -17.9531 -17.9531 -17.9433 -17.9433 -17.7459 -17.7459 -17.3767 -17.3767 -17.1754 -17.1754 -0.9118 -0.9118 -0.8416 -0.8416 -0.7819 -0.7819 -0.4385 -0.4385 -0.3367 -0.3367 -0.3118 -0.3118 0.0743 0.0743 0.2799 0.2799 0.4323 0.4323 0.6181 0.6181 0.6486 0.6486 1.0312 1.0312 1.0526 1.0526 1.0939 1.0939 1.4748 1.4748 1.6448 1.6448 1.6749 1.6749 1.6784 1.6784 9.3786 9.3786 9.4245 9.4245 9.7767 9.7767 12.7175 12.7175 13.1555 13.1555 13.2569 13.2569 k = 0.3409 0.5642-0.0000 ( 11833 PWs) bands (ev): -57.0171 -57.0171 -38.7698 -38.7698 -38.7692 -38.7692 -31.4086 -31.4086 -24.0255 -24.0255 -24.0199 -24.0199 -18.1421 -18.1421 -17.9537 -17.9537 -17.9437 -17.9437 -17.7459 -17.7459 -17.3773 -17.3773 -17.1753 -17.1753 -0.8893 -0.8893 -0.8557 -0.8557 -0.7892 -0.7892 -0.4180 -0.4180 -0.3471 -0.3471 -0.3274 -0.3274 0.0784 0.0784 0.2818 0.2818 0.4373 0.4373 0.6176 0.6176 0.6416 0.6416 1.0337 1.0337 1.0555 1.0555 1.0869 1.0869 1.4754 1.4754 1.6460 1.6460 1.6760 1.6760 1.6780 1.6780 9.3794 9.3794 9.4231 9.4231 9.7759 9.7759 12.7521 12.7521 13.1418 13.1418 13.2323 13.2323 k = 0.3333 0.5774-0.0000 ( 11829 PWs) bands (ev): -57.0171 -57.0171 -38.7695 -38.7695 -38.7695 -38.7695 -31.4086 -31.4086 -24.0255 -24.0255 -24.0199 -24.0199 -18.1416 -18.1416 -17.9539 -17.9539 -17.9439 -17.9439 -17.7458 -17.7458 -17.3774 -17.3774 -17.1753 -17.1753 -0.8740 -0.8740 -0.8674 -0.8674 -0.7924 -0.7924 -0.4096 -0.4096 -0.3458 -0.3458 -0.3389 -0.3389 0.0798 0.0798 0.2822 0.2822 0.4390 0.4390 0.6199 0.6199 0.6368 0.6368 1.0343 1.0343 1.0575 1.0575 1.0838 1.0838 1.4756 1.4756 1.6464 1.6464 1.6768 1.6768 1.6774 1.6774 9.3796 9.3796 9.4226 9.4226 9.7757 9.7757 12.7656 12.7656 13.1344 13.1344 13.2249 13.2249 k = 0.3333 0.5774-0.0000 ( 11829 PWs) bands (ev): -57.0171 -57.0171 -38.7695 -38.7695 -38.7695 -38.7695 -31.4086 -31.4086 -24.0255 -24.0255 -24.0199 -24.0199 -18.1416 -18.1416 -17.9539 -17.9539 -17.9439 -17.9439 -17.7458 -17.7458 -17.3774 -17.3774 -17.1753 -17.1753 -0.8740 -0.8740 -0.8674 -0.8674 -0.7924 -0.7924 -0.4096 -0.4096 -0.3458 -0.3458 -0.3389 -0.3389 0.0798 0.0798 0.2822 0.2822 0.4390 0.4390 0.6199 0.6199 0.6368 0.6368 1.0343 1.0343 1.0575 1.0575 1.0838 1.0838 1.4756 1.4756 1.6464 1.6464 1.6768 1.6768 1.6774 1.6774 9.3796 9.3796 9.4226 9.4226 9.7757 9.7757 12.7656 12.7656 13.1344 13.1344 13.2249 13.2249 k = 0.3256 0.5639-0.0000 ( 11833 PWs) bands (ev): -57.0171 -57.0171 -38.7699 -38.7699 -38.7692 -38.7692 -31.4086 -31.4086 -24.0255 -24.0255 -24.0199 -24.0199 -18.1421 -18.1421 -17.9537 -17.9537 -17.9437 -17.9437 -17.7458 -17.7458 -17.3772 -17.3772 -17.1753 -17.1753 -0.8865 -0.8865 -0.8600 -0.8600 -0.7878 -0.7878 -0.4159 -0.4159 -0.3559 -0.3559 -0.3207 -0.3207 0.0781 0.0781 0.2820 0.2820 0.4377 0.4377 0.6141 0.6141 0.6450 0.6450 1.0338 1.0338 1.0548 1.0548 1.0873 1.0873 1.4753 1.4753 1.6459 1.6459 1.6757 1.6757 1.6783 1.6783 9.3794 9.3794 9.4231 9.4231 9.7760 9.7760 12.7507 12.7507 13.1428 13.1428 13.2327 13.2327 k = 0.3178 0.5505-0.0000 ( 11849 PWs) bands (ev): -57.0171 -57.0171 -38.7702 -38.7702 -38.7688 -38.7688 -31.4086 -31.4086 -24.0255 -24.0255 -24.0198 -24.0198 -18.1437 -18.1437 -17.9532 -17.9532 -17.9433 -17.9433 -17.7458 -17.7458 -17.3766 -17.3766 -17.1754 -17.1754 -0.9021 -0.9021 -0.8597 -0.8597 -0.7743 -0.7743 -0.4281 -0.4281 -0.3673 -0.3673 -0.2913 -0.2913 0.0726 0.0726 0.2820 0.2820 0.4349 0.4349 0.6025 0.6025 0.6631 0.6631 1.0323 1.0323 1.0486 1.0486 1.0958 1.0958 1.4746 1.4746 1.6443 1.6443 1.6742 1.6742 1.6795 1.6795 9.3788 9.3788 9.4246 9.4246 9.7768 9.7768 12.7102 12.7102 13.1599 13.1599 13.2599 13.2599 k = 0.3101 0.5371-0.0000 ( 11853 PWs) bands (ev): -57.0171 -57.0171 -38.7706 -38.7706 -38.7684 -38.7684 -31.4086 -31.4086 -24.0255 -24.0255 -24.0197 -24.0197 -18.1462 -18.1462 -17.9526 -17.9526 -17.9424 -17.9424 -17.7456 -17.7456 -17.3755 -17.3755 -17.1756 -17.1756 -0.9180 -0.9180 -0.8653 -0.8653 -0.7559 -0.7559 -0.4417 -0.4417 -0.3773 -0.3773 -0.2584 -0.2584 0.0631 0.0631 0.2825 0.2825 0.4325 0.4325 0.5891 0.5891 0.6857 0.6857 1.0298 1.0298 1.0410 1.0410 1.1067 1.1067 1.4732 1.4732 1.6413 1.6413 1.6727 1.6727 1.6809 1.6809 9.3781 9.3781 9.4269 9.4269 9.7783 9.7783 12.6529 12.6529 13.1736 13.1736 13.3100 13.3100 k = 0.3023 0.5236-0.0000 ( 11861 PWs) bands (ev): -57.0171 -57.0171 -38.7710 -38.7710 -38.7681 -38.7681 -31.4086 -31.4086 -24.0255 -24.0255 -24.0196 -24.0196 -18.1497 -18.1497 -17.9520 -17.9520 -17.9412 -17.9412 -17.7452 -17.7452 -17.3739 -17.3739 -17.1759 -17.1759 -0.9342 -0.9342 -0.8737 -0.8737 -0.7363 -0.7363 -0.4552 -0.4552 -0.3857 -0.3857 -0.2238 -0.2238 0.0499 0.0499 0.2841 0.2841 0.4318 0.4318 0.5750 0.5750 0.7108 0.7108 1.0262 1.0262 1.0332 1.0332 1.1187 1.1187 1.4712 1.4712 1.6368 1.6368 1.6715 1.6715 1.6823 1.6823 9.3774 9.3774 9.4300 9.4300 9.7803 9.7803 12.5858 12.5858 13.1827 13.1827 13.3768 13.3768 k = 0.2946 0.5102-0.0000 ( 11869 PWs) bands (ev): -57.0171 -57.0171 -38.7714 -38.7714 -38.7677 -38.7677 -31.4086 -31.4086 -24.0254 -24.0254 -24.0195 -24.0195 -18.1542 -18.1542 -17.9514 -17.9514 -17.9397 -17.9397 -17.7445 -17.7445 -17.3719 -17.3719 -17.1763 -17.1763 -0.9505 -0.9505 -0.8833 -0.8833 -0.7173 -0.7173 -0.4682 -0.4682 -0.3924 -0.3924 -0.1886 -0.1886 0.0337 0.0337 0.2869 0.2869 0.4337 0.4337 0.5606 0.5606 0.7371 0.7371 1.0212 1.0212 1.0259 1.0259 1.1314 1.1314 1.4685 1.4685 1.6306 1.6306 1.6707 1.6707 1.6838 1.6838 9.3770 9.3770 9.4337 9.4337 9.7828 9.7828 12.5128 12.5128 13.1899 13.1899 13.4539 13.4539 k = 0.2868 0.4968-0.0000 ( 11871 PWs) bands (ev): -57.0171 -57.0171 -38.7718 -38.7718 -38.7673 -38.7673 -31.4085 -31.4085 -24.0254 -24.0254 -24.0194 -24.0194 -18.1594 -18.1594 -17.9511 -17.9511 -17.9380 -17.9380 -17.7434 -17.7434 -17.3693 -17.3693 -17.1768 -17.1768 -0.9669 -0.9669 -0.8935 -0.8935 -0.7001 -0.7001 -0.4804 -0.4804 -0.3975 -0.3975 -0.1535 -0.1535 0.0157 0.0157 0.2912 0.2912 0.4383 0.4383 0.5463 0.5463 0.7636 0.7636 1.0145 1.0145 1.0191 1.0191 1.1446 1.1446 1.4651 1.4651 1.6227 1.6227 1.6704 1.6704 1.6854 1.6854 9.3771 9.3771 9.4378 9.4378 9.7859 9.7859 12.4362 12.4362 13.1964 13.1964 13.5373 13.5373 k = 0.2791 0.4834-0.0000 ( 11861 PWs) bands (ev): -57.0171 -57.0171 -38.7721 -38.7721 -38.7669 -38.7669 -31.4085 -31.4085 -24.0253 -24.0253 -24.0192 -24.0192 -18.1654 -18.1654 -17.9508 -17.9508 -17.9362 -17.9362 -17.7419 -17.7419 -17.3663 -17.3663 -17.1774 -17.1774 -0.9833 -0.9833 -0.9041 -0.9041 -0.6854 -0.6854 -0.4919 -0.4919 -0.4010 -0.4010 -0.1204 -0.1204 -0.0018 -0.0018 0.2971 0.2971 0.4457 0.4457 0.5327 0.5327 0.7895 0.7895 1.0074 1.0074 1.0123 1.0123 1.1582 1.1582 1.4609 1.4609 1.6131 1.6131 1.6706 1.6706 1.6870 1.6870 9.3777 9.3777 9.4423 9.4423 9.7896 9.7896 12.3570 12.3570 13.2030 13.2030 13.6252 13.6252 k = 0.2713 0.4699-0.0000 ( 11857 PWs) bands (ev): -57.0171 -57.0171 -38.7725 -38.7725 -38.7665 -38.7665 -31.4085 -31.4085 -24.0252 -24.0252 -24.0191 -24.0191 -18.1720 -18.1720 -17.9507 -17.9507 -17.9347 -17.9347 -17.7398 -17.7398 -17.3627 -17.3627 -17.1781 -17.1781 -0.9996 -0.9996 -0.9148 -0.9148 -0.6736 -0.6736 -0.5028 -0.5028 -0.4029 -0.4029 -0.0934 -0.0934 -0.0139 -0.0139 0.3047 0.3047 0.4555 0.4555 0.5201 0.5201 0.8139 0.8139 1.0005 1.0005 1.0049 1.0049 1.1719 1.1719 1.4562 1.4562 1.6021 1.6021 1.6712 1.6712 1.6886 1.6886 9.3789 9.3789 9.4471 9.4471 9.7937 9.7937 12.2761 12.2761 13.2097 13.2097 13.7159 13.7159 k = 0.2636 0.4565-0.0000 ( 11859 PWs) bands (ev): -57.0171 -57.0171 -38.7729 -38.7729 -38.7661 -38.7661 -31.4085 -31.4085 -24.0251 -24.0251 -24.0189 -24.0189 -18.1792 -18.1792 -17.9506 -17.9506 -17.9334 -17.9334 -17.7372 -17.7372 -17.3587 -17.3587 -17.1789 -17.1789 -1.0158 -1.0158 -0.9256 -0.9256 -0.6652 -0.6652 -0.5136 -0.5136 -0.4033 -0.4033 -0.0829 -0.0829 -0.0096 -0.0096 0.3137 0.3137 0.4673 0.4673 0.5097 0.5097 0.8358 0.8358 0.9932 0.9932 0.9985 0.9985 1.1859 1.1859 1.4509 1.4509 1.5896 1.5896 1.6722 1.6722 1.6903 1.6903 9.3808 9.3808 9.4523 9.4523 9.7983 9.7983 12.1941 12.1941 13.2168 13.2168 13.8072 13.8072 k = 0.2558 0.4431-0.0000 ( 11853 PWs) bands (ev): -57.0171 -57.0171 -38.7733 -38.7733 -38.7657 -38.7657 -31.4085 -31.4085 -24.0249 -24.0249 -24.0187 -24.0187 -18.1870 -18.1870 -17.9505 -17.9505 -17.9324 -17.9324 -17.7340 -17.7340 -17.3543 -17.3543 -17.1798 -17.1798 -1.0318 -1.0318 -0.9363 -0.9363 -0.6602 -0.6602 -0.5250 -0.5250 -0.4022 -0.4022 -0.0897 -0.0897 0.0126 0.0126 0.3237 0.3237 0.4793 0.4793 0.5039 0.5039 0.8539 0.8539 0.9837 0.9837 0.9957 0.9957 1.1998 1.1998 1.4453 1.4453 1.5757 1.5757 1.6734 1.6734 1.6919 1.6919 9.3835 9.3835 9.4577 9.4577 9.8033 9.8033 12.1111 12.1111 13.2241 13.2241 13.8857 13.8857 k = 0.2481 0.4297-0.0000 ( 11851 PWs) bands (ev): -57.0171 -57.0171 -38.7737 -38.7737 -38.7653 -38.7653 -31.4084 -31.4084 -24.0247 -24.0247 -24.0186 -24.0186 -18.1952 -18.1952 -17.9505 -17.9505 -17.9319 -17.9319 -17.7302 -17.7302 -17.3494 -17.3494 -17.1808 -17.1808 -1.0475 -1.0475 -0.9471 -0.9471 -0.6582 -0.6582 -0.5377 -0.5377 -0.3996 -0.3996 -0.1013 -0.1013 0.0410 0.0410 0.3336 0.3336 0.4852 0.4852 0.5098 0.5098 0.8669 0.8669 0.9724 0.9724 0.9971 0.9971 1.2137 1.2137 1.4395 1.4395 1.5605 1.5605 1.6749 1.6749 1.6936 1.6936 9.3869 9.3869 9.4633 9.4633 9.8087 9.8087 12.0276 12.0276 13.2317 13.2317 13.8860 13.8860 k = 0.2403 0.4162-0.0000 ( 11849 PWs) bands (ev): -57.0171 -57.0171 -38.7741 -38.7741 -38.7649 -38.7649 -31.4084 -31.4084 -24.0244 -24.0244 -24.0184 -24.0184 -18.2038 -18.2038 -17.9505 -17.9505 -17.9318 -17.9318 -17.7259 -17.7259 -17.3441 -17.3441 -17.1819 -17.1819 -1.0629 -1.0629 -0.9578 -0.9578 -0.6591 -0.6591 -0.5525 -0.5525 -0.3955 -0.3955 -0.1118 -0.1118 0.0703 0.0703 0.3419 0.3419 0.4868 0.4868 0.5272 0.5272 0.8740 0.8740 0.9598 0.9598 1.0028 1.0028 1.2275 1.2275 1.4339 1.4339 1.5442 1.5442 1.6765 1.6765 1.6953 1.6953 9.3911 9.3911 9.4692 9.4692 9.8145 9.8145 11.9438 11.9438 13.2396 13.2396 13.8459 13.8459 k = 0.2326 0.4028-0.0000 ( 11843 PWs) bands (ev): -57.0171 -57.0171 -38.7745 -38.7745 -38.7645 -38.7645 -31.4084 -31.4084 -24.0242 -24.0242 -24.0182 -24.0182 -18.2127 -18.2127 -17.9505 -17.9505 -17.9321 -17.9321 -17.7211 -17.7211 -17.3384 -17.3384 -17.1830 -17.1830 -1.0780 -1.0780 -0.9684 -0.9684 -0.6623 -0.6623 -0.5699 -0.5699 -0.3901 -0.3901 -0.1193 -0.1193 0.0988 0.0988 0.3473 0.3473 0.4914 0.4914 0.5499 0.5499 0.8757 0.8757 0.9459 0.9459 1.0121 1.0121 1.2411 1.2411 1.4287 1.4287 1.5267 1.5267 1.6782 1.6782 1.6970 1.6970 9.3961 9.3961 9.4752 9.4752 9.8207 9.8207 11.8598 11.8598 13.2476 13.2476 13.8022 13.8022 k = 0.2248 0.3894-0.0000 ( 11851 PWs) bands (ev): -57.0171 -57.0171 -38.7749 -38.7749 -38.7641 -38.7641 -31.4084 -31.4084 -24.0239 -24.0239 -24.0180 -24.0180 -18.2220 -18.2220 -17.9505 -17.9505 -17.9328 -17.9328 -17.7159 -17.7159 -17.3324 -17.3324 -17.1842 -17.1842 -1.0927 -1.0927 -0.9789 -0.9789 -0.6676 -0.6676 -0.5900 -0.5900 -0.3834 -0.3834 -0.1233 -0.1233 0.1261 0.1261 0.3493 0.3493 0.5003 0.5003 0.5763 0.5763 0.8736 0.8736 0.9308 0.9308 1.0231 1.0231 1.2544 1.2544 1.4243 1.4243 1.5083 1.5083 1.6798 1.6798 1.6988 1.6988 9.4018 9.4018 9.4813 9.4813 9.8271 9.8271 11.7759 11.7759 13.2559 13.2559 13.7589 13.7589 k = 0.2171 0.3759-0.0000 ( 11847 PWs) bands (ev): -57.0171 -57.0171 -38.7753 -38.7753 -38.7637 -38.7637 -31.4083 -31.4083 -24.0236 -24.0236 -24.0178 -24.0178 -18.2315 -18.2315 -17.9505 -17.9505 -17.9337 -17.9337 -17.7105 -17.7105 -17.3262 -17.3262 -17.1855 -17.1855 -1.1069 -1.1069 -0.9894 -0.9894 -0.6750 -0.6750 -0.6119 -0.6119 -0.3753 -0.3753 -0.1239 -0.1239 0.1521 0.1521 0.3485 0.3485 0.5126 0.5126 0.6061 0.6061 0.8693 0.8693 0.9146 0.9146 1.0343 1.0343 1.2671 1.2671 1.4210 1.4210 1.4892 1.4892 1.6814 1.6814 1.7007 1.7007 9.4083 9.4083 9.4876 9.4876 9.8339 9.8339 11.6922 11.6922 13.2642 13.2642 13.7170 13.7170 k = 0.2093 0.3625-0.0000 ( 11857 PWs) bands (ev): -57.0171 -57.0171 -38.7757 -38.7757 -38.7633 -38.7633 -31.4083 -31.4083 -24.0232 -24.0232 -24.0176 -24.0176 -18.2412 -18.2412 -17.9506 -17.9506 -17.9349 -17.9349 -17.7048 -17.7048 -17.3196 -17.3196 -17.1868 -17.1868 -1.1206 -1.1206 -0.9999 -0.9999 -0.6858 -0.6858 -0.6339 -0.6339 -0.3660 -0.3660 -0.1214 -0.1214 0.1767 0.1767 0.3463 0.3463 0.5268 0.5268 0.6384 0.6384 0.8644 0.8644 0.8973 0.8973 1.0443 1.0443 1.2790 1.2790 1.4191 1.4191 1.4696 1.4696 1.6828 1.6828 1.7028 1.7028 9.4154 9.4154 9.4940 9.4940 9.8409 9.8409 11.6089 11.6089 13.2725 13.2725 13.6768 13.6768 k = 0.2016 0.3491-0.0000 ( 11869 PWs) bands (ev): -57.0171 -57.0171 -38.7761 -38.7761 -38.7629 -38.7629 -31.4083 -31.4083 -24.0229 -24.0229 -24.0173 -24.0173 -18.2511 -18.2511 -17.9506 -17.9506 -17.9362 -17.9362 -17.6990 -17.6990 -17.3128 -17.3128 -17.1881 -17.1881 -1.1338 -1.1338 -1.0104 -1.0104 -0.7021 -0.7021 -0.6528 -0.6528 -0.3555 -0.3555 -0.1163 -0.1163 0.1995 0.1995 0.3443 0.3443 0.5419 0.5419 0.6716 0.6716 0.8603 0.8603 0.8794 0.8794 1.0523 1.0523 1.2897 1.2897 1.4186 1.4186 1.4505 1.4505 1.6840 1.6840 1.7049 1.7049 9.4232 9.4232 9.5005 9.5005 9.8481 9.8481 11.5262 11.5262 13.2808 13.2808 13.6386 13.6386 k = 0.1938 0.3357-0.0000 ( 11863 PWs) bands (ev): -57.0171 -57.0171 -38.7765 -38.7765 -38.7626 -38.7626 -31.4082 -31.4082 -24.0225 -24.0225 -24.0171 -24.0171 -18.2611 -18.2611 -17.9506 -17.9506 -17.9376 -17.9376 -17.6932 -17.6932 -17.3058 -17.3058 -17.1895 -17.1895 -1.1465 -1.1465 -1.0209 -1.0209 -0.7254 -0.7254 -0.6664 -0.6664 -0.3439 -0.3439 -0.1092 -0.1092 0.2197 0.2197 0.3441 0.3441 0.5569 0.5569 0.7032 0.7032 0.8550 0.8550 0.8651 0.8651 1.0578 1.0578 1.2984 1.2984 1.4176 1.4176 1.4348 1.4348 1.6849 1.6849 1.7073 1.7073 9.4315 9.4315 9.5070 9.5070 9.8555 9.8555 11.4443 11.4443 13.2891 13.2891 13.6026 13.6026 k = 0.1860 0.3222-0.0000 ( 11859 PWs) bands (ev): -57.0171 -57.0171 -38.7769 -38.7769 -38.7622 -38.7622 -31.4082 -31.4082 -24.0222 -24.0222 -24.0168 -24.0168 -18.2711 -18.2711 -17.9507 -17.9507 -17.9390 -17.9390 -17.6874 -17.6874 -17.2987 -17.2987 -17.1908 -17.1908 -1.1587 -1.1587 -1.0313 -1.0313 -0.7538 -0.7538 -0.6758 -0.6758 -0.3311 -0.3311 -0.1004 -0.1004 0.2363 0.2363 0.3476 0.3476 0.5714 0.5714 0.7295 0.7295 0.8375 0.8375 0.8687 0.8687 1.0610 1.0610 1.3036 1.3036 1.4087 1.4087 1.4312 1.4312 1.6855 1.6855 1.7098 1.7098 9.4404 9.4404 9.5135 9.5135 9.8631 9.8631 11.3633 11.3633 13.2972 13.2972 13.5690 13.5690 k = 0.1783 0.3088-0.0000 ( 11867 PWs) bands (ev): -57.0171 -57.0171 -38.7772 -38.7772 -38.7618 -38.7618 -31.4081 -31.4081 -24.0218 -24.0218 -24.0165 -24.0165 -18.2812 -18.2812 -17.9508 -17.9508 -17.9404 -17.9404 -17.6817 -17.6817 -17.2915 -17.2915 -17.1922 -17.1922 -1.1703 -1.1703 -1.0419 -1.0419 -0.7848 -0.7848 -0.6828 -0.6828 -0.3173 -0.3173 -0.0903 -0.0903 0.2479 0.2479 0.3562 0.3562 0.5848 0.5848 0.7467 0.7467 0.8168 0.8168 0.8844 0.8844 1.0625 1.0625 1.3029 1.3029 1.3980 1.3980 1.4361 1.4361 1.6859 1.6859 1.7124 1.7124 9.4497 9.4497 9.5201 9.5201 9.8708 9.8708 11.2835 11.2835 13.3051 13.3051 13.5379 13.5379 k = 0.1705 0.2954-0.0000 ( 11863 PWs) bands (ev): -57.0171 -57.0171 -38.7776 -38.7776 -38.7615 -38.7615 -31.4081 -31.4081 -24.0215 -24.0215 -24.0161 -24.0161 -18.2913 -18.2913 -17.9508 -17.9508 -17.9417 -17.9417 -17.6763 -17.6763 -17.2842 -17.2842 -17.1934 -17.1934 -1.1814 -1.1814 -1.0526 -1.0526 -0.8170 -0.8170 -0.6884 -0.6884 -0.3024 -0.3024 -0.0792 -0.0792 0.2546 0.2546 0.3702 0.3702 0.5968 0.5968 0.7548 0.7548 0.7952 0.7952 0.9086 0.9086 1.0636 1.0636 1.2941 1.2941 1.3931 1.3931 1.4438 1.4438 1.6859 1.6859 1.7152 1.7152 9.4594 9.4594 9.5266 9.5266 9.8785 9.8785 11.2050 11.2050 13.3127 13.3127 13.5093 13.5093 k = 0.1628 0.2820-0.0000 ( 11859 PWs) bands (ev): -57.0171 -57.0171 -38.7779 -38.7779 -38.7611 -38.7611 -31.4081 -31.4081 -24.0212 -24.0212 -24.0158 -24.0158 -18.3014 -18.3014 -17.9509 -17.9509 -17.9429 -17.9429 -17.6710 -17.6710 -17.2768 -17.2768 -17.1947 -17.1947 -1.1919 -1.1919 -1.0633 -1.0633 -0.8494 -0.8494 -0.6929 -0.6929 -0.2866 -0.2866 -0.0673 -0.0673 0.2575 0.2575 0.3884 0.3884 0.6068 0.6068 0.7569 0.7569 0.7736 0.7736 0.9355 0.9355 1.0671 1.0671 1.2777 1.2777 1.3944 1.3944 1.4531 1.4531 1.6857 1.6857 1.7180 1.7180 9.4694 9.4694 9.5331 9.5331 9.8864 9.8864 11.1281 11.1281 13.3201 13.3201 13.4835 13.4835 k = 0.1550 0.2685-0.0000 ( 11849 PWs) bands (ev): -57.0171 -57.0171 -38.7783 -38.7783 -38.7608 -38.7608 -31.4080 -31.4080 -24.0209 -24.0209 -24.0154 -24.0154 -18.3113 -18.3113 -17.9510 -17.9510 -17.9439 -17.9439 -17.6661 -17.6661 -17.2695 -17.2695 -17.1959 -17.1959 -1.2018 -1.2018 -1.0743 -1.0743 -0.8816 -0.8816 -0.6964 -0.6964 -0.2699 -0.2699 -0.0547 -0.0547 0.2583 0.2583 0.4089 0.4089 0.6143 0.6143 0.7474 0.7474 0.7613 0.7613 0.9573 0.9573 1.0777 1.0777 1.2562 1.2562 1.3997 1.3997 1.4635 1.4635 1.6853 1.6853 1.7209 1.7209 9.4795 9.4795 9.5395 9.5395 9.8942 9.8942 11.0528 11.0528 13.3269 13.3269 13.4606 13.4606 k = 0.1473 0.2551-0.0000 ( 11841 PWs) bands (ev): -57.0171 -57.0171 -38.7786 -38.7786 -38.7605 -38.7605 -31.4080 -31.4080 -24.0206 -24.0206 -24.0149 -24.0149 -18.3211 -18.3211 -17.9511 -17.9511 -17.9449 -17.9449 -17.6614 -17.6614 -17.2623 -17.2623 -17.1970 -17.1970 -1.2112 -1.2112 -1.0854 -1.0854 -0.9131 -0.9131 -0.6991 -0.6991 -0.2522 -0.2522 -0.0416 -0.0416 0.2582 0.2582 0.4304 0.4304 0.6186 0.6186 0.7255 0.7255 0.7618 0.7618 0.9682 0.9682 1.0994 1.0994 1.2315 1.2315 1.4071 1.4071 1.4746 1.4746 1.6846 1.6846 1.7238 1.7238 9.4898 9.4898 9.5458 9.5458 9.9021 9.9021 10.9796 10.9796 13.3332 13.3332 13.4407 13.4407 k = 0.1395 0.2417-0.0000 ( 11841 PWs) bands (ev): -57.0171 -57.0171 -38.7789 -38.7789 -38.7601 -38.7601 -31.4079 -31.4079 -24.0204 -24.0204 -24.0144 -24.0144 -18.3307 -18.3307 -17.9511 -17.9511 -17.9456 -17.9456 -17.6570 -17.6570 -17.2552 -17.2552 -17.1980 -17.1980 -1.2200 -1.2200 -1.0968 -1.0968 -0.9436 -0.9436 -0.7009 -0.7009 -0.2338 -0.2338 -0.0279 -0.0279 0.2580 0.2580 0.4515 0.4515 0.6194 0.6194 0.7028 0.7028 0.7651 0.7651 0.9688 0.9688 1.1308 1.1308 1.2051 1.2051 1.4154 1.4154 1.4859 1.4859 1.6838 1.6838 1.7266 1.7266 9.5000 9.5000 9.5520 9.5520 9.9098 9.9098 10.9084 10.9084 13.3386 13.3386 13.4240 13.4240 k = 0.1318 0.2283-0.0000 ( 11839 PWs) bands (ev): -57.0171 -57.0171 -38.7792 -38.7792 -38.7598 -38.7598 -31.4079 -31.4079 -24.0203 -24.0203 -24.0139 -24.0139 -18.3400 -18.3400 -17.9512 -17.9512 -17.9462 -17.9462 -17.6530 -17.6530 -17.2482 -17.2482 -17.1988 -17.1988 -1.2283 -1.2283 -1.1085 -1.1085 -0.9727 -0.9727 -0.7020 -0.7020 -0.2146 -0.2146 -0.0138 -0.0138 0.2581 0.2581 0.4712 0.4712 0.6167 0.6167 0.6809 0.6809 0.7708 0.7708 0.9633 0.9633 1.1665 1.1665 1.1783 1.1783 1.4240 1.4240 1.4974 1.4974 1.6828 1.6828 1.7294 1.7294 9.5102 9.5102 9.5581 9.5581 9.9175 9.9175 10.8396 10.8396 13.3429 13.3429 13.4108 13.4108 k = 0.1240 0.2148-0.0000 ( 11831 PWs) bands (ev): -57.0171 -57.0171 -38.7795 -38.7795 -38.7596 -38.7596 -31.4078 -31.4078 -24.0201 -24.0201 -24.0134 -24.0134 -18.3491 -18.3491 -17.9513 -17.9513 -17.9467 -17.9467 -17.6494 -17.6494 -17.2415 -17.2415 -17.1996 -17.1996 -1.2360 -1.2360 -1.1206 -1.1206 -1.0002 -1.0002 -0.7023 -0.7023 -0.1947 -0.1947 0.0006 0.0006 0.2587 0.2587 0.4881 0.4881 0.6104 0.6104 0.6612 0.6612 0.7786 0.7786 0.9548 0.9548 1.1486 1.1486 1.2064 1.2064 1.4327 1.4327 1.5089 1.5089 1.6817 1.6817 1.7322 1.7322 9.5202 9.5202 9.5640 9.5640 9.9251 9.9251 10.7734 10.7734 13.3456 13.3456 13.4015 13.4015 k = 0.1163 0.2014-0.0000 ( 11825 PWs) bands (ev): -57.0171 -57.0171 -38.7798 -38.7798 -38.7593 -38.7593 -31.4078 -31.4078 -24.0200 -24.0200 -24.0129 -24.0129 -18.3578 -18.3578 -17.9513 -17.9513 -17.9471 -17.9471 -17.6461 -17.6461 -17.2351 -17.2351 -17.2001 -17.2001 -1.2432 -1.2432 -1.1333 -1.1333 -1.0256 -1.0256 -0.7020 -0.7020 -0.1741 -0.1741 0.0155 0.0155 0.2601 0.2601 0.5005 0.5005 0.5996 0.5996 0.6466 0.6466 0.7882 0.7882 0.9450 0.9450 1.1198 1.1198 1.2449 1.2449 1.4411 1.4411 1.5202 1.5202 1.6805 1.6805 1.7349 1.7349 9.5299 9.5299 9.5698 9.5698 9.9325 9.9325 10.7099 10.7099 13.3465 13.3465 13.3964 13.3964 k = 0.1085 0.1880-0.0000 ( 11829 PWs) bands (ev): -57.0171 -57.0171 -38.7800 -38.7800 -38.7590 -38.7590 -31.4078 -31.4078 -24.0199 -24.0199 -24.0123 -24.0123 -18.3662 -18.3662 -17.9512 -17.9512 -17.9474 -17.9474 -17.6432 -17.6432 -17.2290 -17.2290 -17.2005 -17.2005 -1.2498 -1.2498 -1.1466 -1.1466 -1.0487 -1.0487 -0.7011 -0.7011 -0.1530 -0.1530 0.0306 0.0306 0.2623 0.2623 0.5068 0.5068 0.5840 0.5840 0.6393 0.6393 0.7990 0.7990 0.9351 0.9351 1.0907 1.0907 1.2825 1.2825 1.4493 1.4493 1.5313 1.5313 1.6792 1.6792 1.7374 1.7374 9.5392 9.5392 9.5754 9.5754 9.9396 9.9396 10.6494 10.6494 13.3457 13.3457 13.3951 13.3951 k = 0.1008 0.1745-0.0000 ( 11841 PWs) bands (ev): -57.0171 -57.0171 -38.7803 -38.7803 -38.7588 -38.7588 -31.4077 -31.4077 -24.0198 -24.0198 -24.0118 -24.0118 -18.3742 -18.3742 -17.9511 -17.9511 -17.9476 -17.9476 -17.6405 -17.6405 -17.2235 -17.2235 -17.2005 -17.2005 -1.2559 -1.2559 -1.1607 -1.1607 -1.0693 -1.0693 -0.6996 -0.6996 -0.1314 -0.1314 0.0460 0.0460 0.2653 0.2653 0.5054 0.5054 0.5659 0.5659 0.6387 0.6387 0.8106 0.8106 0.9256 0.9256 1.0616 1.0616 1.3183 1.3183 1.4570 1.4570 1.5422 1.5422 1.6780 1.6780 1.7399 1.7399 9.5481 9.5481 9.5809 9.5809 9.9465 9.9465 10.5921 10.5921 13.3443 13.3443 13.3964 13.3964 k = 0.0930 0.1611-0.0000 ( 11847 PWs) bands (ev): -57.0171 -57.0171 -38.7805 -38.7805 -38.7586 -38.7586 -31.4077 -31.4077 -24.0197 -24.0197 -24.0112 -24.0112 -18.3818 -18.3818 -17.9510 -17.9510 -17.9478 -17.9478 -17.6383 -17.6383 -17.2186 -17.2186 -17.2000 -17.2000 -1.2616 -1.2616 -1.1754 -1.1754 -1.0873 -1.0873 -0.6977 -0.6977 -0.1092 -0.1092 0.0616 0.0616 0.2690 0.2690 0.4964 0.4964 0.5479 0.5479 0.6425 0.6425 0.8227 0.8227 0.9172 0.9172 1.0327 1.0327 1.3517 1.3517 1.4642 1.4642 1.5531 1.5531 1.6767 1.6767 1.7421 1.7421 9.5564 9.5564 9.5863 9.5863 9.9531 9.9531 10.5381 10.5381 13.3431 13.3431 13.3994 13.3994 k = 0.0853 0.1477-0.0000 ( 11853 PWs) bands (ev): -57.0171 -57.0171 -38.7807 -38.7807 -38.7583 -38.7583 -31.4076 -31.4076 -24.0197 -24.0197 -24.0107 -24.0107 -18.3888 -18.3888 -17.9508 -17.9508 -17.9479 -17.9479 -17.6363 -17.6363 -17.2148 -17.2148 -17.1989 -17.1989 -1.2667 -1.2667 -1.1905 -1.1905 -1.1028 -1.1028 -0.6955 -0.6955 -0.0867 -0.0867 0.0775 0.0775 0.2733 0.2733 0.4811 0.4811 0.5312 0.5312 0.6482 0.6482 0.8350 0.8350 0.9101 0.9101 1.0045 1.0045 1.3821 1.3821 1.4710 1.4710 1.5640 1.5640 1.6756 1.6756 1.7442 1.7442 9.5640 9.5640 9.5914 9.5914 9.9594 9.9594 10.4877 10.4877 13.3427 13.3427 13.4033 13.4033 k = 0.0775 0.1343-0.0000 ( 11845 PWs) bands (ev): -57.0171 -57.0171 -38.7809 -38.7809 -38.7581 -38.7581 -31.4076 -31.4076 -24.0196 -24.0196 -24.0102 -24.0102 -18.3954 -18.3954 -17.9505 -17.9505 -17.9480 -17.9480 -17.6346 -17.6346 -17.2122 -17.2122 -17.1968 -17.1968 -1.2713 -1.2713 -1.2057 -1.2057 -1.1160 -1.1160 -0.6930 -0.6930 -0.0639 -0.0639 0.0935 0.0935 0.2780 0.2780 0.4616 0.4616 0.5157 0.5157 0.6541 0.6541 0.8471 0.8471 0.9045 0.9045 0.9772 0.9772 1.4091 1.4091 1.4773 1.4773 1.5751 1.5751 1.6747 1.6747 1.7462 1.7462 9.5709 9.5709 9.5964 9.5964 9.9653 9.9653 10.4410 10.4410 13.3432 13.3432 13.4077 13.4077 k = 0.0698 0.1208-0.0000 ( 11855 PWs) bands (ev): -57.0171 -57.0171 -38.7811 -38.7811 -38.7580 -38.7580 -31.4076 -31.4076 -24.0196 -24.0196 -24.0098 -24.0098 -18.4014 -18.4014 -17.9502 -17.9502 -17.9480 -17.9480 -17.6331 -17.6331 -17.2106 -17.2106 -17.1940 -17.1940 -1.2755 -1.2755 -1.2206 -1.2206 -1.1272 -1.1272 -0.6903 -0.6903 -0.0408 -0.0408 0.1095 0.1095 0.2827 0.2827 0.4401 0.4401 0.5007 0.5007 0.6592 0.6592 0.8586 0.8586 0.8998 0.8998 0.9520 0.9520 1.4323 1.4323 1.4832 1.4832 1.5863 1.5863 1.6740 1.6740 1.7479 1.7479 9.5770 9.5770 9.6013 9.6013 9.9707 9.9707 10.3982 10.3982 13.3446 13.3446 13.4123 13.4123 k = 0.0620 0.1074-0.0000 ( 11857 PWs) bands (ev): -57.0171 -57.0171 -38.7813 -38.7813 -38.7578 -38.7578 -31.4076 -31.4076 -24.0196 -24.0196 -24.0094 -24.0094 -18.4069 -18.4069 -17.9499 -17.9499 -17.9481 -17.9481 -17.6319 -17.6319 -17.2097 -17.2097 -17.1908 -17.1908 -1.2792 -1.2792 -1.2346 -1.2346 -1.1367 -1.1367 -0.6876 -0.6876 -0.0175 -0.0175 0.1255 0.1255 0.2869 0.2869 0.4181 0.4181 0.4862 0.4862 0.6631 0.6631 0.8686 0.8686 0.8942 0.8942 0.9315 0.9315 1.4514 1.4514 1.4888 1.4888 1.5976 1.5976 1.6736 1.6736 1.7495 1.7495 9.5823 9.5823 9.6059 9.6059 9.9757 9.9757 10.3595 10.3595 13.3467 13.3467 13.4171 13.4171 k = 0.0543 0.0940-0.0000 ( 11853 PWs) bands (ev): -57.0171 -57.0171 -38.7814 -38.7814 -38.7577 -38.7577 -31.4075 -31.4075 -24.0195 -24.0195 -24.0090 -24.0090 -18.4118 -18.4118 -17.9496 -17.9496 -17.9481 -17.9481 -17.6309 -17.6309 -17.2093 -17.2093 -17.1876 -17.1876 -1.2825 -1.2825 -1.2476 -1.2476 -1.1447 -1.1447 -0.6849 -0.6849 0.0059 0.0059 0.1414 0.1414 0.2897 0.2897 0.3968 0.3968 0.4722 0.4722 0.6659 0.6659 0.8752 0.8752 0.8836 0.8836 0.9213 0.9213 1.4662 1.4662 1.4945 1.4945 1.6086 1.6086 1.6738 1.6738 1.7509 1.7509 9.5868 9.5868 9.6102 9.6102 9.9802 9.9802 10.3250 10.3250 13.3493 13.3493 13.4220 13.4220 k = 0.0465 0.0806-0.0000 ( 11861 PWs) bands (ev): -57.0171 -57.0171 -38.7815 -38.7815 -38.7575 -38.7575 -31.4075 -31.4075 -24.0195 -24.0195 -24.0086 -24.0086 -18.4161 -18.4161 -17.9493 -17.9493 -17.9481 -17.9481 -17.6301 -17.6301 -17.2091 -17.2091 -17.1846 -17.1846 -1.2853 -1.2853 -1.2592 -1.2592 -1.1515 -1.1515 -0.6824 -0.6824 0.0294 0.0294 0.1568 0.1568 0.2898 0.2898 0.3776 0.3776 0.4591 0.4591 0.6677 0.6677 0.8624 0.8624 0.8840 0.8840 0.9214 0.9214 1.4769 1.4769 1.5003 1.5003 1.6186 1.6186 1.6746 1.6746 1.7521 1.7521 9.5906 9.5906 9.6142 9.6142 9.9841 9.9841 10.2948 10.2948 13.3521 13.3521 13.4267 13.4267 k = 0.0388 0.0671-0.0000 ( 11875 PWs) bands (ev): -57.0171 -57.0171 -38.7816 -38.7816 -38.7574 -38.7574 -31.4075 -31.4075 -24.0195 -24.0195 -24.0083 -24.0083 -18.4197 -18.4197 -17.9490 -17.9490 -17.9482 -17.9482 -17.6295 -17.6295 -17.2089 -17.2089 -17.1820 -17.1820 -1.2876 -1.2876 -1.2693 -1.2693 -1.1571 -1.1571 -0.6801 -0.6801 0.0527 0.0527 0.1715 0.1715 0.2854 0.2854 0.3620 0.3620 0.4474 0.4474 0.6688 0.6688 0.8434 0.8434 0.8876 0.8876 0.9260 0.9260 1.4840 1.4840 1.5062 1.5062 1.6272 1.6272 1.6763 1.6763 1.7531 1.7531 9.5937 9.5937 9.6177 9.6177 9.9875 9.9875 10.2691 10.2691 13.3549 13.3549 13.4313 13.4313 k = 0.0310 0.0537-0.0000 ( 11871 PWs) bands (ev): -57.0171 -57.0171 -38.7817 -38.7817 -38.7574 -38.7574 -31.4075 -31.4075 -24.0195 -24.0195 -24.0081 -24.0081 -18.4228 -18.4228 -17.9487 -17.9487 -17.9482 -17.9482 -17.6290 -17.6290 -17.2089 -17.2089 -17.1798 -17.1798 -1.2895 -1.2895 -1.2777 -1.2777 -1.1616 -1.1616 -0.6781 -0.6781 0.0757 0.0757 0.1850 0.1850 0.2756 0.2756 0.3510 0.3510 0.4376 0.4376 0.6696 0.6696 0.8256 0.8256 0.8903 0.8903 0.9318 0.9318 1.4885 1.4885 1.5115 1.5115 1.6338 1.6338 1.6788 1.6788 1.7540 1.7540 9.5962 9.5962 9.6206 9.6206 9.9902 9.9902 10.2480 10.2480 13.3575 13.3575 13.4354 13.4354 k = 0.0233 0.0403-0.0000 ( 11887 PWs) bands (ev): -57.0171 -57.0171 -38.7818 -38.7818 -38.7573 -38.7573 -31.4075 -31.4075 -24.0195 -24.0195 -24.0079 -24.0079 -18.4251 -18.4251 -17.9485 -17.9485 -17.9482 -17.9482 -17.6287 -17.6287 -17.2088 -17.2088 -17.1780 -17.1780 -1.2910 -1.2910 -1.2843 -1.2843 -1.1651 -1.1651 -0.6764 -0.6764 0.0980 0.0980 0.1963 0.1963 0.2618 0.2618 0.3436 0.3436 0.4301 0.4301 0.6703 0.6703 0.8105 0.8105 0.8923 0.8923 0.9372 0.9372 1.4915 1.4915 1.5159 1.5159 1.6384 1.6384 1.6817 1.6817 1.7547 1.7547 9.5981 9.5981 9.6230 9.6230 9.9924 9.9924 10.2315 10.2315 13.3597 13.3597 13.4389 13.4389 k = 0.0155 0.0269-0.0000 ( 11897 PWs) bands (ev): -57.0171 -57.0171 -38.7819 -38.7819 -38.7572 -38.7572 -31.4075 -31.4075 -24.0195 -24.0195 -24.0077 -24.0077 -18.4268 -18.4268 -17.9483 -17.9483 -17.9482 -17.9482 -17.6284 -17.6284 -17.2088 -17.2088 -17.1768 -17.1768 -1.2921 -1.2921 -1.2891 -1.2891 -1.1675 -1.1675 -0.6752 -0.6752 0.1187 0.1187 0.2035 0.2035 0.2481 0.2481 0.3384 0.3384 0.4251 0.4251 0.6709 0.6709 0.7989 0.7989 0.8937 0.8937 0.9414 0.9414 1.4933 1.4933 1.5190 1.5190 1.6412 1.6412 1.6844 1.6844 1.7552 1.7552 9.5994 9.5994 9.6247 9.6247 9.9940 9.9940 10.2196 10.2196 13.3613 13.3613 13.4416 13.4416 k = 0.0078 0.0134-0.0000 ( 11917 PWs) bands (ev): -57.0171 -57.0171 -38.7819 -38.7819 -38.7572 -38.7572 -31.4074 -31.4074 -24.0195 -24.0195 -24.0077 -24.0077 -18.4278 -18.4278 -17.9482 -17.9482 -17.9482 -17.9482 -17.6283 -17.6283 -17.2088 -17.2088 -17.1760 -17.1760 -1.2927 -1.2927 -1.2920 -1.2920 -1.1690 -1.1690 -0.6745 -0.6745 0.1355 0.1355 0.2039 0.2039 0.2395 0.2395 0.3348 0.3348 0.4224 0.4224 0.6714 0.6714 0.7916 0.7916 0.8945 0.8945 0.9441 0.9441 1.4943 1.4943 1.5208 1.5208 1.6427 1.6427 1.6863 1.6863 1.7555 1.7555 9.6002 9.6002 9.6257 9.6257 9.9949 9.9949 10.2125 10.2125 13.3623 13.3623 13.4433 13.4433 k = 0.0000 0.0000 0.0000 ( 11945 PWs) bands (ev): -57.0171 -57.0171 -38.7819 -38.7819 -38.7572 -38.7572 -31.4074 -31.4074 -24.0195 -24.0195 -24.0076 -24.0076 -18.4282 -18.4282 -17.9482 -17.9482 -17.9482 -17.9482 -17.6282 -17.6282 -17.2088 -17.2088 -17.1757 -17.1757 -1.2930 -1.2930 -1.2929 -1.2929 -1.1695 -1.1695 -0.6742 -0.6742 0.1428 0.1428 0.2016 0.2016 0.2375 0.2375 0.3335 0.3335 0.4216 0.4216 0.6716 0.6716 0.7891 0.7891 0.8948 0.8948 0.9450 0.9450 1.4946 1.4946 1.5214 1.5214 1.6432 1.6432 1.6870 1.6870 1.7556 1.7556 9.6005 9.6005 9.6261 9.6261 9.9952 9.9952 10.2102 10.2102 13.3626 13.3626 13.4439 13.4439 k = 0.0000 0.0000 0.0000 ( 11945 PWs) bands (ev): -57.0171 -57.0171 -38.7819 -38.7819 -38.7572 -38.7572 -31.4074 -31.4074 -24.0195 -24.0195 -24.0076 -24.0076 -18.4282 -18.4282 -17.9482 -17.9482 -17.9482 -17.9482 -17.6282 -17.6282 -17.2088 -17.2088 -17.1757 -17.1757 -1.2930 -1.2930 -1.2929 -1.2929 -1.1695 -1.1695 -0.6742 -0.6742 0.1428 0.1428 0.2016 0.2016 0.2375 0.2375 0.3335 0.3335 0.4216 0.4216 0.6716 0.6716 0.7891 0.7891 0.8948 0.8948 0.9450 0.9450 1.4946 1.4946 1.5214 1.5214 1.6432 1.6432 1.6870 1.6870 1.7556 1.7556 9.6005 9.6005 9.6261 9.6261 9.9952 9.9952 10.2102 10.2102 13.3626 13.3626 13.4439 13.4439 k = 0.0000 0.0000 0.0158 ( 11921 PWs) bands (ev): -57.0171 -57.0171 -38.7819 -38.7819 -38.7572 -38.7572 -31.4074 -31.4074 -24.0195 -24.0195 -24.0076 -24.0076 -18.4278 -18.4278 -17.9482 -17.9482 -17.9482 -17.9482 -17.6284 -17.6284 -17.2090 -17.2090 -17.1757 -17.1757 -1.2921 -1.2921 -1.2921 -1.2921 -1.1684 -1.1684 -0.6735 -0.6735 0.1430 0.1430 0.1962 0.1962 0.2308 0.2308 0.3366 0.3366 0.4255 0.4255 0.6735 0.6735 0.7888 0.7888 0.8946 0.8946 0.9452 0.9452 1.4952 1.4952 1.5221 1.5221 1.6431 1.6431 1.6870 1.6870 1.7538 1.7538 9.6003 9.6003 9.6263 9.6263 9.9952 9.9952 10.2125 10.2125 13.3638 13.3638 13.4450 13.4450 k = 0.0000 0.0000 0.0315 ( 11915 PWs) bands (ev): -57.0171 -57.0171 -38.7819 -38.7819 -38.7572 -38.7572 -31.4075 -31.4075 -24.0196 -24.0196 -24.0076 -24.0076 -18.4266 -18.4266 -17.9483 -17.9483 -17.9483 -17.9483 -17.6288 -17.6288 -17.2098 -17.2098 -17.1757 -17.1757 -1.2898 -1.2898 -1.2895 -1.2895 -1.1651 -1.1651 -0.6714 -0.6714 0.1437 0.1437 0.1813 0.1813 0.2135 0.2135 0.3433 0.3433 0.4359 0.4359 0.6790 0.6790 0.7879 0.7879 0.8940 0.8940 0.9457 0.9457 1.4970 1.4970 1.5239 1.5239 1.6427 1.6427 1.6869 1.6869 1.7484 1.7484 9.5999 9.5999 9.6268 9.6268 9.9952 9.9952 10.2197 10.2197 13.3673 13.3673 13.4484 13.4484 k = 0.0000 0.0000 0.0473 ( 11903 PWs) bands (ev): -57.0171 -57.0171 -38.7819 -38.7819 -38.7572 -38.7572 -31.4075 -31.4075 -24.0198 -24.0198 -24.0076 -24.0076 -18.4246 -18.4246 -17.9484 -17.9484 -17.9484 -17.9484 -17.6295 -17.6295 -17.2110 -17.2110 -17.1757 -17.1757 -1.2860 -1.2860 -1.2853 -1.2853 -1.1595 -1.1595 -0.6679 -0.6679 0.1448 0.1448 0.1594 0.1594 0.1897 0.1897 0.3496 0.3496 0.4501 0.4501 0.6877 0.6877 0.7864 0.7864 0.8934 0.8934 0.9470 0.9470 1.4998 1.4998 1.5268 1.5268 1.6421 1.6421 1.6867 1.6867 1.7395 1.7395 9.5992 9.5992 9.6276 9.6276 9.9952 9.9952 10.2315 10.2315 13.3731 13.3731 13.4540 13.4540 k = 0.0000 0.0000 0.0630 ( 11879 PWs) bands (ev): -57.0171 -57.0171 -38.7819 -38.7819 -38.7572 -38.7572 -31.4075 -31.4075 -24.0200 -24.0200 -24.0075 -24.0075 -18.4219 -18.4219 -17.9486 -17.9486 -17.9486 -17.9486 -17.6305 -17.6305 -17.2127 -17.2127 -17.1757 -17.1757 -1.2806 -1.2806 -1.2794 -1.2794 -1.1518 -1.1518 -0.6629 -0.6629 0.1329 0.1329 0.1460 0.1460 0.1626 0.1626 0.3532 0.3532 0.4652 0.4652 0.6987 0.6987 0.7843 0.7843 0.8934 0.8934 0.9492 0.9492 1.5038 1.5038 1.5309 1.5309 1.6411 1.6411 1.6864 1.6864 1.7273 1.7273 9.5982 9.5982 9.6288 9.6288 9.9953 9.9953 10.2479 10.2479 13.3812 13.3812 13.4618 13.4618 k = 0.0000 0.0000 0.0788 ( 11867 PWs) bands (ev): -57.0171 -57.0171 -38.7819 -38.7819 -38.7572 -38.7572 -31.4075 -31.4075 -24.0202 -24.0202 -24.0074 -24.0074 -18.4184 -18.4184 -17.9489 -17.9489 -17.9488 -17.9488 -17.6318 -17.6318 -17.2148 -17.2148 -17.1757 -17.1757 -1.2738 -1.2738 -1.2718 -1.2718 -1.1419 -1.1419 -0.6566 -0.6566 0.1035 0.1035 0.1311 0.1311 0.1498 0.1498 0.3532 0.3532 0.4792 0.4792 0.7105 0.7105 0.7817 0.7817 0.8947 0.8947 0.9531 0.9531 1.5087 1.5087 1.5359 1.5359 1.6394 1.6394 1.6861 1.6861 1.7122 1.7122 9.5970 9.5970 9.6303 9.6303 9.9953 9.9953 10.2690 10.2690 13.3915 13.3915 13.4718 13.4718 k = 0.0000 0.0000 0.0945 ( 11867 PWs) bands (ev): -57.0171 -57.0171 -38.7819 -38.7819 -38.7572 -38.7572 -31.4075 -31.4075 -24.0205 -24.0205 -24.0073 -24.0073 -18.4142 -18.4142 -17.9491 -17.9491 -17.9491 -17.9491 -17.6334 -17.6334 -17.2174 -17.2174 -17.1757 -17.1757 -1.2654 -1.2654 -1.2625 -1.2625 -1.1299 -1.1299 -0.6488 -0.6488 0.0725 0.0725 0.1003 0.1003 0.1519 0.1519 0.3493 0.3493 0.4903 0.4903 0.7214 0.7214 0.7784 0.7784 0.8987 0.8987 0.9592 0.9592 1.5145 1.5145 1.5417 1.5417 1.6361 1.6361 1.6858 1.6858 1.6950 1.6950 9.5955 9.5955 9.6320 9.6320 9.9955 9.9955 10.2945 10.2945 13.4040 13.4040 13.4838 13.4838 k = 0.0000 0.0000 0.1103 ( 11855 PWs) bands (ev): -57.0171 -57.0171 -38.7819 -38.7819 -38.7572 -38.7572 -31.4075 -31.4075 -24.0209 -24.0209 -24.0072 -24.0072 -18.4092 -18.4092 -17.9495 -17.9495 -17.9494 -17.9494 -17.6354 -17.6354 -17.2203 -17.2203 -17.1757 -17.1757 -1.2555 -1.2555 -1.2516 -1.2516 -1.1158 -1.1158 -0.6397 -0.6397 0.0405 0.0405 0.0683 0.0683 0.1549 0.1549 0.3418 0.3418 0.4976 0.4976 0.7294 0.7294 0.7746 0.7746 0.9066 0.9066 0.9679 0.9679 1.5211 1.5211 1.5483 1.5483 1.6294 1.6294 1.6780 1.6780 1.6855 1.6855 9.5938 9.5938 9.6340 9.6340 9.9956 9.9956 10.3244 10.3244 13.4185 13.4185 13.4978 13.4978 k = 0.0000 0.0000 0.1260 ( 11861 PWs) bands (ev): -57.0171 -57.0171 -38.7819 -38.7819 -38.7572 -38.7572 -31.4075 -31.4075 -24.0213 -24.0213 -24.0071 -24.0071 -18.4035 -18.4035 -17.9498 -17.9498 -17.9498 -17.9498 -17.6376 -17.6376 -17.2237 -17.2237 -17.1757 -17.1757 -1.2442 -1.2442 -1.2391 -1.2391 -1.0995 -1.0995 -0.6292 -0.6292 0.0081 0.0081 0.0359 0.0359 0.1584 0.1584 0.3310 0.3310 0.5003 0.5003 0.7332 0.7332 0.7703 0.7703 0.9192 0.9192 0.9795 0.9795 1.5284 1.5284 1.5555 1.5555 1.6154 1.6154 1.6650 1.6650 1.6852 1.6852 9.5918 9.5918 9.6362 9.6362 9.9959 9.9959 10.3585 10.3585 13.4351 13.4351 13.5138 13.5138 k = 0.0000 0.0000 0.1418 ( 11861 PWs) bands (ev): -57.0171 -57.0171 -38.7819 -38.7819 -38.7572 -38.7572 -31.4076 -31.4076 -24.0217 -24.0217 -24.0069 -24.0069 -18.3971 -18.3971 -17.9503 -17.9503 -17.9502 -17.9502 -17.6402 -17.6402 -17.2274 -17.2274 -17.1757 -17.1757 -1.2315 -1.2315 -1.2250 -1.2250 -1.0813 -1.0813 -0.6173 -0.6173 -0.0244 -0.0244 0.0034 0.0034 0.1623 0.1623 0.3171 0.3171 0.4981 0.4981 0.7320 0.7320 0.7654 0.7654 0.9365 0.9365 0.9941 0.9941 1.5362 1.5362 1.5631 1.5631 1.5924 1.5924 1.6580 1.6580 1.6849 1.6849 9.5896 9.5896 9.6386 9.6386 9.9962 9.9962 10.3966 10.3966 13.4535 13.4535 13.5315 13.5315 k = 0.0000 0.0000 0.1575 ( 11837 PWs) bands (ev): -57.0171 -57.0171 -38.7819 -38.7819 -38.7572 -38.7572 -31.4076 -31.4076 -24.0222 -24.0222 -24.0068 -24.0068 -18.3901 -18.3901 -17.9507 -17.9507 -17.9506 -17.9506 -17.6431 -17.6431 -17.2314 -17.2314 -17.1757 -17.1757 -1.2173 -1.2173 -1.2093 -1.2093 -1.0611 -1.0611 -0.6042 -0.6042 -0.0566 -0.0566 -0.0288 -0.0288 0.1667 0.1667 0.3005 0.3005 0.4910 0.4910 0.7264 0.7264 0.7600 0.7600 0.9578 0.9578 1.0116 1.0116 1.5443 1.5443 1.5629 1.5629 1.5711 1.5711 1.6547 1.6547 1.6848 1.6848 9.5873 9.5873 9.6411 9.6411 9.9966 9.9966 10.4387 10.4387 13.4738 13.4738 13.5510 13.5510 k = 0.0000 0.0000 0.1733 ( 11849 PWs) bands (ev): -57.0171 -57.0171 -38.7819 -38.7819 -38.7572 -38.7572 -31.4076 -31.4076 -24.0227 -24.0227 -24.0066 -24.0066 -18.3825 -18.3825 -17.9512 -17.9512 -17.9511 -17.9511 -17.6464 -17.6464 -17.2356 -17.2356 -17.1757 -17.1757 -1.2018 -1.2018 -1.1921 -1.1921 -1.0389 -1.0389 -0.5896 -0.5896 -0.0885 -0.0885 -0.0607 -0.0607 0.1715 0.1715 0.2814 0.2814 0.4792 0.4792 0.7171 0.7171 0.7542 0.7542 0.9820 0.9820 1.0314 1.0314 1.5282 1.5282 1.5535 1.5535 1.5794 1.5794 1.6533 1.6533 1.6847 1.6847 9.5847 9.5847 9.6437 9.6437 9.9972 9.9972 10.4845 10.4845 13.4957 13.4957 13.5720 13.5720 k = 0.0000 0.0000 0.1890 ( 11837 PWs) bands (ev): -57.0171 -57.0171 -38.7819 -38.7819 -38.7572 -38.7572 -31.4076 -31.4076 -24.0232 -24.0232 -24.0064 -24.0064 -18.3742 -18.3742 -17.9517 -17.9517 -17.9516 -17.9516 -17.6501 -17.6501 -17.2401 -17.2401 -17.1758 -17.1758 -1.1849 -1.1849 -1.1735 -1.1735 -1.0149 -1.0149 -0.5738 -0.5738 -0.1196 -0.1196 -0.0919 -0.0919 0.1767 0.1767 0.2602 0.2602 0.4633 0.4633 0.7048 0.7048 0.7479 0.7479 1.0079 1.0079 1.0532 1.0532 1.4907 1.4907 1.5622 1.5622 1.5878 1.5878 1.6528 1.6528 1.6849 1.6849 9.5820 9.5820 9.6464 9.6464 9.9979 9.9979 10.5338 10.5338 13.5191 13.5191 13.5945 13.5945 k = 0.0000 0.0000 0.2048 ( 11860 PWs) bands (ev): -57.0171 -57.0171 -38.7819 -38.7819 -38.7572 -38.7572 -31.4077 -31.4077 -24.0238 -24.0238 -24.0062 -24.0062 -18.3654 -18.3654 -17.9522 -17.9522 -17.9521 -17.9521 -17.6541 -17.6541 -17.2448 -17.2448 -17.1758 -17.1758 -1.1667 -1.1667 -1.1534 -1.1534 -0.9892 -0.9892 -0.5567 -0.5567 -0.1501 -0.1501 -0.1225 -0.1225 0.1821 0.1821 0.2370 0.2370 0.4436 0.4436 0.6901 0.6901 0.7412 0.7412 1.0347 1.0347 1.0764 1.0764 1.4503 1.4503 1.5713 1.5713 1.5962 1.5962 1.6529 1.6529 1.6852 1.6852 9.5791 9.5791 9.6491 9.6491 9.9988 9.9988 10.5864 10.5864 13.5438 13.5438 13.6182 13.6182 k = 0.0000 0.0000 0.2205 ( 11872 PWs) bands (ev): -57.0171 -57.0171 -38.7819 -38.7819 -38.7572 -38.7572 -31.4077 -31.4077 -24.0244 -24.0244 -24.0061 -24.0061 -18.3561 -18.3561 -17.9528 -17.9528 -17.9527 -17.9527 -17.6585 -17.6585 -17.2496 -17.2496 -17.1758 -17.1758 -1.1472 -1.1472 -1.1320 -1.1320 -0.9618 -0.9618 -0.5384 -0.5384 -0.1796 -0.1796 -0.1521 -0.1521 0.1877 0.1877 0.2122 0.2122 0.4207 0.4207 0.6734 0.6734 0.7341 0.7341 1.0618 1.0618 1.1004 1.1004 1.4073 1.4073 1.5804 1.5804 1.6046 1.6046 1.6535 1.6535 1.6858 1.6858 9.5761 9.5761 9.6518 9.6518 9.9998 9.9998 10.6420 10.6420 13.5698 13.5698 13.6431 13.6431 k = 0.0000 0.0000 0.2363 ( 11866 PWs) bands (ev): -57.0171 -57.0171 -38.7819 -38.7819 -38.7572 -38.7572 -31.4077 -31.4077 -24.0250 -24.0250 -24.0059 -24.0059 -18.3463 -18.3463 -17.9533 -17.9533 -17.9532 -17.9532 -17.6632 -17.6632 -17.2545 -17.2545 -17.1758 -17.1758 -1.1264 -1.1264 -1.1092 -1.1092 -0.9329 -0.9329 -0.5187 -0.5187 -0.2081 -0.2081 -0.1809 -0.1809 0.1838 0.1838 0.1957 0.1957 0.3949 0.3949 0.6552 0.6552 0.7267 0.7267 1.0886 1.0886 1.1248 1.1248 1.3621 1.3621 1.5895 1.5895 1.6129 1.6129 1.6546 1.6546 1.6867 1.6867 9.5731 9.5731 9.6544 9.6544 10.0010 10.0010 10.7004 10.7004 13.5967 13.5967 13.6688 13.6688 k = 0.0000 0.0000 0.2520 ( 11884 PWs) bands (ev): -57.0171 -57.0171 -38.7819 -38.7819 -38.7572 -38.7572 -31.4078 -31.4078 -24.0256 -24.0256 -24.0057 -24.0057 -18.3361 -18.3361 -17.9539 -17.9539 -17.9538 -17.9538 -17.6683 -17.6683 -17.2595 -17.2595 -17.1758 -17.1758 -1.1045 -1.1045 -1.0852 -1.0852 -0.9025 -0.9025 -0.4978 -0.4978 -0.2354 -0.2354 -0.2085 -0.2085 0.1566 0.1566 0.2013 0.2013 0.3668 0.3668 0.6356 0.6356 0.7190 0.7190 1.1149 1.1149 1.1491 1.1491 1.3150 1.3150 1.5986 1.5986 1.6210 1.6210 1.6562 1.6562 1.6879 1.6879 9.5699 9.5699 9.6569 9.6569 10.0024 10.0024 10.7614 10.7614 13.6244 13.6244 13.6953 13.6953 k = 0.0000 0.0000 0.2678 ( 11908 PWs) bands (ev): -57.0171 -57.0171 -38.7819 -38.7819 -38.7572 -38.7572 -31.4078 -31.4078 -24.0263 -24.0263 -24.0055 -24.0055 -18.3256 -18.3256 -17.9545 -17.9545 -17.9544 -17.9544 -17.6738 -17.6738 -17.2644 -17.2644 -17.1758 -17.1758 -1.0814 -1.0814 -1.0600 -1.0600 -0.8709 -0.8709 -0.4757 -0.4757 -0.2616 -0.2616 -0.2350 -0.2350 0.1273 0.1273 0.2079 0.2079 0.3365 0.3365 0.6149 0.6149 0.7110 0.7110 1.1401 1.1401 1.1731 1.1731 1.2663 1.2663 1.6076 1.6076 1.6289 1.6289 1.6582 1.6582 1.6894 1.6894 9.5667 9.5667 9.6593 9.6593 10.0039 10.0039 10.8246 10.8246 13.6528 13.6528 13.7223 13.7223 k = 0.0000 0.0000 0.2835 ( 11902 PWs) bands (ev): -57.0171 -57.0171 -38.7819 -38.7819 -38.7572 -38.7572 -31.4078 -31.4078 -24.0269 -24.0269 -24.0053 -24.0053 -18.3148 -18.3148 -17.9550 -17.9550 -17.9549 -17.9549 -17.6796 -17.6796 -17.2693 -17.2693 -17.1758 -17.1758 -1.0573 -1.0573 -1.0337 -1.0337 -0.8383 -0.8383 -0.4524 -0.4524 -0.2864 -0.2864 -0.2602 -0.2602 0.0968 0.0968 0.2148 0.2148 0.3045 0.3045 0.5931 0.5931 0.7027 0.7027 1.1640 1.1640 1.1963 1.1963 1.2163 1.2163 1.6163 1.6163 1.6366 1.6366 1.6606 1.6606 1.6913 1.6913 9.5636 9.5636 9.6616 9.6616 10.0057 10.0057 10.8897 10.8897 13.6815 13.6815 13.7497 13.7497 k = 0.0000 0.0000 0.2993 ( 11902 PWs) bands (ev): -57.0171 -57.0171 -38.7819 -38.7819 -38.7572 -38.7572 -31.4079 -31.4079 -24.0275 -24.0275 -24.0051 -24.0051 -18.3037 -18.3037 -17.9556 -17.9556 -17.9555 -17.9555 -17.6858 -17.6858 -17.2741 -17.2741 -17.1758 -17.1758 -1.0321 -1.0321 -1.0065 -1.0065 -0.8048 -0.8048 -0.4278 -0.4278 -0.3098 -0.3098 -0.2841 -0.2841 0.0652 0.0652 0.2219 0.2219 0.2710 0.2710 0.5705 0.5705 0.6943 0.6943 1.1637 1.1637 1.1880 1.1880 1.2186 1.2186 1.6249 1.6249 1.6441 1.6441 1.6634 1.6634 1.6934 1.6934 9.5604 9.5604 9.6637 9.6637 10.0076 10.0076 10.9565 10.9565 13.7103 13.7103 13.7771 13.7771 k = 0.0000 0.0000 0.3150 ( 11866 PWs) bands (ev): -57.0171 -57.0171 -38.7819 -38.7819 -38.7572 -38.7572 -31.4079 -31.4079 -24.0281 -24.0281 -24.0049 -24.0049 -18.2926 -18.2926 -17.9562 -17.9562 -17.9561 -17.9561 -17.6922 -17.6922 -17.2787 -17.2787 -17.1757 -17.1757 -1.0059 -1.0059 -0.9784 -0.9784 -0.7706 -0.7706 -0.4022 -0.4022 -0.3316 -0.3316 -0.3062 -0.3062 0.0328 0.0328 0.2292 0.2292 0.2362 0.2362 0.5471 0.5471 0.6858 0.6858 1.1121 1.1121 1.2087 1.2087 1.2397 1.2397 1.6332 1.6332 1.6513 1.6513 1.6666 1.6666 1.6959 1.6959 9.5572 9.5572 9.6656 9.6656 10.0096 10.0096 11.0246 11.0246 13.7390 13.7390 13.8044 13.8044 k = 0.0000 0.0000 0.3308 ( 11830 PWs) bands (ev): -57.0171 -57.0171 -38.7818 -38.7818 -38.7572 -38.7572 -31.4079 -31.4079 -24.0287 -24.0287 -24.0047 -24.0047 -18.2813 -18.2813 -17.9567 -17.9567 -17.9566 -17.9566 -17.6989 -17.6989 -17.2832 -17.2832 -17.1757 -17.1757 -0.9789 -0.9789 -0.9496 -0.9496 -0.7361 -0.7361 -0.3764 -0.3764 -0.3518 -0.3518 -0.3259 -0.3259 -0.0005 -0.0005 0.2004 0.2004 0.2365 0.2365 0.5230 0.5230 0.6773 0.6773 1.0593 1.0593 1.2282 1.2282 1.2594 1.2594 1.6411 1.6411 1.6583 1.6583 1.6702 1.6702 1.6986 1.6986 9.5542 9.5542 9.6674 9.6674 10.0118 10.0118 11.0935 11.0935 13.7671 13.7671 13.8314 13.8314 k = 0.0000 0.0000 0.3465 ( 11842 PWs) bands (ev): -57.0171 -57.0171 -38.7818 -38.7818 -38.7572 -38.7572 -31.4079 -31.4079 -24.0293 -24.0293 -24.0045 -24.0045 -18.2701 -18.2701 -17.9572 -17.9572 -17.9571 -17.9571 -17.7057 -17.7057 -17.2875 -17.2875 -17.1757 -17.1757 -0.9511 -0.9511 -0.9203 -0.9203 -0.7016 -0.7016 -0.3703 -0.3703 -0.3593 -0.3593 -0.3339 -0.3339 -0.0343 -0.0343 0.1638 0.1638 0.2438 0.2438 0.4983 0.4983 0.6687 0.6687 1.0063 1.0063 1.2461 1.2461 1.2777 1.2777 1.6487 1.6487 1.6650 1.6650 1.6742 1.6742 1.7015 1.7015 9.5512 9.5512 9.6689 9.6689 10.0140 10.0140 11.1628 11.1628 13.7928 13.7928 13.8319 13.8319 k = 0.0000 0.0000 0.3623 ( 11842 PWs) bands (ev): -57.0171 -57.0171 -38.7818 -38.7818 -38.7572 -38.7572 -31.4080 -31.4080 -24.0298 -24.0298 -24.0043 -24.0043 -18.2591 -18.2591 -17.9577 -17.9577 -17.9576 -17.9576 -17.7127 -17.7127 -17.2915 -17.2915 -17.1757 -17.1757 -0.9226 -0.9226 -0.8907 -0.8907 -0.6674 -0.6674 -0.3868 -0.3868 -0.3701 -0.3701 -0.3110 -0.3110 -0.0686 -0.0686 0.1267 0.1267 0.2511 0.2511 0.4730 0.4730 0.6603 0.6603 0.9535 0.9535 1.2623 1.2623 1.2944 1.2944 1.6559 1.6559 1.6715 1.6715 1.6784 1.6784 1.7044 1.7044 9.5484 9.5484 9.6703 9.6703 10.0163 10.0163 11.2321 11.2321 13.7568 13.7568 13.8243 13.8243 k = 0.0000 0.0000 0.3780 ( 11842 PWs) bands (ev): -57.0171 -57.0171 -38.7818 -38.7818 -38.7572 -38.7572 -31.4080 -31.4080 -24.0303 -24.0303 -24.0041 -24.0041 -18.2483 -18.2483 -17.9582 -17.9582 -17.9581 -17.9581 -17.7196 -17.7196 -17.2952 -17.2952 -17.1757 -17.1757 -0.8936 -0.8936 -0.8610 -0.8610 -0.6340 -0.6340 -0.4014 -0.4014 -0.3854 -0.3854 -0.2804 -0.2804 -0.1031 -0.1031 0.0891 0.0891 0.2582 0.2582 0.4471 0.4471 0.6520 0.6520 0.9013 0.9013 1.2768 1.2768 1.3094 1.3094 1.6626 1.6626 1.6778 1.6778 1.6829 1.6829 1.7074 1.7074 9.5457 9.5457 9.6715 9.6715 10.0186 10.0186 11.3008 11.3008 13.6879 13.6879 13.8491 13.8491 k = 0.0000 0.0000 0.3938 ( 11866 PWs) bands (ev): -57.0171 -57.0171 -38.7819 -38.7819 -38.7572 -38.7572 -31.4080 -31.4080 -24.0308 -24.0308 -24.0040 -24.0040 -18.2379 -18.2379 -17.9586 -17.9586 -17.9586 -17.9586 -17.7265 -17.7265 -17.2986 -17.2986 -17.1757 -17.1757 -0.8642 -0.8642 -0.8316 -0.8316 -0.6017 -0.6017 -0.4137 -0.4137 -0.3999 -0.3999 -0.2476 -0.2476 -0.1376 -0.1376 0.0515 0.0515 0.2650 0.2650 0.4206 0.4206 0.6440 0.6440 0.8502 0.8502 1.2896 1.2896 1.3228 1.3228 1.6686 1.6686 1.6839 1.6839 1.6875 1.6875 1.7102 1.7102 9.5431 9.5431 9.6725 9.6725 10.0208 10.0208 11.3682 11.3682 13.6196 13.6196 13.8733 13.8733 k = 0.0000 0.0000 0.4095 ( 11866 PWs) bands (ev): -57.0171 -57.0171 -38.7819 -38.7819 -38.7572 -38.7572 -31.4080 -31.4080 -24.0312 -24.0312 -24.0039 -24.0039 -18.2280 -18.2280 -17.9590 -17.9590 -17.9590 -17.9590 -17.7332 -17.7332 -17.3017 -17.3017 -17.1757 -17.1757 -0.8347 -0.8347 -0.8030 -0.8030 -0.5712 -0.5712 -0.4235 -0.4235 -0.4127 -0.4127 -0.2139 -0.2139 -0.1711 -0.1711 0.0141 0.0141 0.2714 0.2714 0.3935 0.3935 0.6364 0.6364 0.8009 0.8009 1.3007 1.3007 1.3346 1.3346 1.6741 1.6741 1.6897 1.6897 1.6922 1.6922 1.7129 1.7129 9.5408 9.5408 9.6734 9.6734 10.0230 10.0230 11.4336 11.4336 13.5533 13.5533 13.8959 13.8959 k = 0.0000 0.0000 0.4253 ( 11872 PWs) bands (ev): -57.0171 -57.0171 -38.7819 -38.7819 -38.7572 -38.7572 -31.4081 -31.4081 -24.0316 -24.0316 -24.0037 -24.0037 -18.2187 -18.2187 -17.9594 -17.9594 -17.9593 -17.9593 -17.7396 -17.7396 -17.3045 -17.3045 -17.1757 -17.1757 -0.8054 -0.8054 -0.7756 -0.7756 -0.5427 -0.5427 -0.4305 -0.4305 -0.4237 -0.4237 -0.2103 -0.2103 -0.1725 -0.1725 -0.0228 -0.0228 0.2772 0.2772 0.3656 0.3656 0.6293 0.6293 0.7541 0.7541 1.3103 1.3103 1.3448 1.3448 1.6789 1.6789 1.6952 1.6952 1.6968 1.6968 1.7153 1.7153 9.5387 9.5387 9.6741 9.6741 10.0250 10.0250 11.4960 11.4960 13.4900 13.4900 13.9166 13.9166 k = 0.0000 0.0000 0.4410 ( 11848 PWs) bands (ev): -57.0171 -57.0171 -38.7819 -38.7819 -38.7572 -38.7572 -31.4081 -31.4081 -24.0320 -24.0320 -24.0036 -24.0036 -18.2103 -18.2103 -17.9597 -17.9597 -17.9596 -17.9596 -17.7456 -17.7456 -17.3070 -17.3070 -17.1757 -17.1757 -0.7766 -0.7766 -0.7501 -0.7501 -0.5169 -0.5169 -0.4346 -0.4346 -0.4326 -0.4326 -0.2427 -0.2427 -0.1357 -0.1357 -0.0587 -0.0587 0.2818 0.2818 0.3373 0.3373 0.6228 0.6228 0.7107 0.7107 1.3184 1.3184 1.3535 1.3535 1.6830 1.6830 1.7003 1.7003 1.7012 1.7012 1.7174 1.7174 9.5368 9.5368 9.6747 9.6747 10.0269 10.0269 11.5544 11.5544 13.4308 13.4308 13.9351 13.9351 k = 0.0000 0.0000 0.4568 ( 11836 PWs) bands (ev): -57.0171 -57.0171 -38.7819 -38.7819 -38.7572 -38.7572 -31.4081 -31.4081 -24.0323 -24.0323 -24.0035 -24.0035 -18.2028 -18.2028 -17.9600 -17.9600 -17.9599 -17.9599 -17.7510 -17.7510 -17.3090 -17.3090 -17.1757 -17.1757 -0.7489 -0.7489 -0.7273 -0.7273 -0.4942 -0.4942 -0.4390 -0.4390 -0.4354 -0.4354 -0.2754 -0.2754 -0.0963 -0.0963 -0.0931 -0.0931 0.2825 0.2825 0.3107 0.3107 0.6169 0.6169 0.6717 0.6717 1.3250 1.3250 1.3607 1.3607 1.6864 1.6864 1.7050 1.7050 1.7053 1.7053 1.7191 1.7191 9.5352 9.5352 9.6751 9.6751 10.0286 10.0286 11.6076 11.6076 13.3769 13.3769 13.9512 13.9512 k = 0.0000 0.0000 0.4725 ( 11836 PWs) bands (ev): -57.0171 -57.0171 -38.7818 -38.7818 -38.7572 -38.7572 -31.4081 -31.4081 -24.0325 -24.0325 -24.0034 -24.0034 -18.1964 -18.1964 -17.9602 -17.9602 -17.9602 -17.9602 -17.7556 -17.7556 -17.3107 -17.3107 -17.1757 -17.1757 -0.7232 -0.7232 -0.7078 -0.7078 -0.4752 -0.4752 -0.4427 -0.4427 -0.4331 -0.4331 -0.3070 -0.3070 -0.1250 -0.1250 -0.0554 -0.0554 0.2652 0.2652 0.2995 0.2995 0.6120 0.6120 0.6381 0.6381 1.3303 1.3303 1.3664 1.3664 1.6892 1.6892 1.7089 1.7089 1.7091 1.7091 1.7204 1.7204 9.5339 9.5339 9.6755 9.6755 10.0300 10.0300 11.6542 11.6542 13.3297 13.3297 13.9648 13.9648 k = 0.0000 0.0000 0.4883 ( 11824 PWs) bands (ev): -57.0171 -57.0171 -38.7818 -38.7818 -38.7572 -38.7572 -31.4081 -31.4081 -24.0327 -24.0327 -24.0034 -24.0034 -18.1912 -18.1912 -17.9604 -17.9604 -17.9603 -17.9603 -17.7594 -17.7594 -17.3121 -17.3121 -17.1757 -17.1757 -0.7006 -0.7006 -0.6923 -0.6923 -0.4603 -0.4603 -0.4430 -0.4430 -0.4281 -0.4281 -0.3363 -0.3363 -0.1534 -0.1534 -0.0138 -0.0138 0.2334 0.2334 0.3002 0.3002 0.6078 0.6078 0.6110 0.6110 1.3344 1.3344 1.3708 1.3708 1.6914 1.6914 1.7118 1.7118 1.7127 1.7127 1.7211 1.7211 9.5328 9.5328 9.6757 9.6757 10.0311 10.0311 11.6926 11.6926 13.2908 13.2908 13.9755 13.9755 k = 0.0000 0.0000 0.5040 ( 11836 PWs) bands (ev): -57.0171 -57.0171 -38.7818 -38.7818 -38.7572 -38.7572 -31.4081 -31.4081 -24.0329 -24.0329 -24.0033 -24.0033 -18.1875 -18.1875 -17.9605 -17.9605 -17.9605 -17.9605 -17.7622 -17.7622 -17.3130 -17.3130 -17.1757 -17.1757 -0.6826 -0.6826 -0.6812 -0.6812 -0.4496 -0.4496 -0.4400 -0.4400 -0.4219 -0.4219 -0.3623 -0.3623 -0.1764 -0.1764 0.0279 0.0279 0.1978 0.1978 0.3019 0.3019 0.5908 0.5908 0.6050 0.6050 1.3372 1.3372 1.3739 1.3739 1.6929 1.6929 1.7139 1.7139 1.7157 1.7157 1.7213 1.7213 9.5321 9.5321 9.6759 9.6759 10.0319 10.0319 11.7215 11.7215 13.2616 13.2616 13.9832 13.9832 k = 0.0000 0.0000 0.5198 ( 11812 PWs) bands (ev): -57.0171 -57.0171 -38.7818 -38.7818 -38.7572 -38.7572 -31.4081 -31.4081 -24.0329 -24.0329 -24.0033 -24.0033 -18.1852 -18.1852 -17.9606 -17.9606 -17.9605 -17.9605 -17.7639 -17.7639 -17.3136 -17.3136 -17.1757 -17.1757 -0.6746 -0.6746 -0.6708 -0.6708 -0.4414 -0.4414 -0.4364 -0.4364 -0.4165 -0.4165 -0.3823 -0.3823 -0.1918 -0.1918 0.0681 0.0681 0.1613 0.1613 0.3031 0.3031 0.5786 0.5786 0.6032 0.6032 1.3389 1.3389 1.3758 1.3758 1.6938 1.6938 1.7152 1.7152 1.7181 1.7181 1.7208 1.7208 9.5316 9.5316 9.6760 9.6760 10.0324 10.0324 11.7394 11.7394 13.2435 13.2435 13.9879 13.9879 k = 0.0000 0.0000 0.5355 ( 11812 PWs) bands (ev): -57.0171 -57.0171 -38.7818 -38.7818 -38.7572 -38.7572 -31.4081 -31.4081 -24.0330 -24.0330 -24.0033 -24.0033 -18.1844 -18.1844 -17.9606 -17.9606 -17.9606 -17.9606 -17.7645 -17.7645 -17.3138 -17.3138 -17.1757 -17.1757 -0.6724 -0.6724 -0.6667 -0.6667 -0.4364 -0.4364 -0.4360 -0.4360 -0.4144 -0.4144 -0.3907 -0.3907 -0.1973 -0.1973 0.0939 0.0939 0.1366 0.1366 0.3036 0.3036 0.5745 0.5745 0.6026 0.6026 1.3395 1.3395 1.3764 1.3764 1.6942 1.6942 1.7157 1.7157 1.7197 1.7197 1.7199 1.7199 9.5314 9.5314 9.6761 9.6761 10.0326 10.0326 11.7455 11.7455 13.2373 13.2373 13.9895 13.9895 k = 0.0000 0.0000 0.5355 ( 11812 PWs) bands (ev): -57.0171 -57.0171 -38.7818 -38.7818 -38.7572 -38.7572 -31.4081 -31.4081 -24.0330 -24.0330 -24.0033 -24.0033 -18.1844 -18.1844 -17.9606 -17.9606 -17.9606 -17.9606 -17.7645 -17.7645 -17.3138 -17.3138 -17.1757 -17.1757 -0.6724 -0.6724 -0.6667 -0.6667 -0.4364 -0.4364 -0.4360 -0.4360 -0.4144 -0.4144 -0.3907 -0.3907 -0.1973 -0.1973 0.0939 0.0939 0.1366 0.1366 0.3036 0.3036 0.5745 0.5745 0.6026 0.6026 1.3395 1.3395 1.3764 1.3764 1.6942 1.6942 1.7157 1.7157 1.7197 1.7197 1.7199 1.7199 9.5314 9.5314 9.6761 9.6761 10.0326 10.0326 11.7455 11.7455 13.2373 13.2373 13.9895 13.9895 k = 0.0135 0.0078 0.5355 ( 11820 PWs) bands (ev): -57.0171 -57.0171 -38.7818 -38.7818 -38.7572 -38.7572 -31.4081 -31.4081 -24.0330 -24.0330 -24.0033 -24.0033 -18.1841 -18.1841 -17.9610 -17.9610 -17.9607 -17.9607 -17.7641 -17.7641 -17.3137 -17.3137 -17.1758 -17.1758 -0.6730 -0.6730 -0.6671 -0.6671 -0.4672 -0.4672 -0.4278 -0.4278 -0.3972 -0.3972 -0.3933 -0.3933 -0.1909 -0.1909 0.0943 0.0943 0.1387 0.1387 0.3057 0.3057 0.5749 0.5749 0.6033 0.6033 1.3390 1.3390 1.3760 1.3760 1.6937 1.6937 1.7149 1.7149 1.7194 1.7194 1.7196 1.7196 9.5313 9.5313 9.6759 9.6759 10.0324 10.0324 11.7477 11.7477 13.2365 13.2365 13.9892 13.9892 k = 0.0270 0.0156 0.5355 ( 11834 PWs) bands (ev): -57.0171 -57.0171 -38.7818 -38.7818 -38.7572 -38.7572 -31.4081 -31.4081 -24.0330 -24.0330 -24.0034 -24.0034 -18.1832 -18.1832 -17.9624 -17.9624 -17.9611 -17.9611 -17.7631 -17.7631 -17.3136 -17.3136 -17.1760 -17.1760 -0.6755 -0.6755 -0.6678 -0.6678 -0.5020 -0.5020 -0.4358 -0.4358 -0.4036 -0.4036 -0.3663 -0.3663 -0.1735 -0.1735 0.0954 0.0954 0.1447 0.1447 0.3119 0.3119 0.5762 0.5762 0.6054 0.6054 1.3376 1.3376 1.3748 1.3748 1.6922 1.6922 1.7125 1.7125 1.7181 1.7181 1.7193 1.7193 9.5309 9.5309 9.6753 9.6753 10.0319 10.0319 11.7542 11.7542 13.2340 13.2340 13.9881 13.9881 k = 0.0405 0.0234 0.5355 ( 11830 PWs) bands (ev): -57.0171 -57.0171 -38.7818 -38.7818 -38.7573 -38.7573 -31.4082 -31.4082 -24.0330 -24.0330 -24.0035 -24.0035 -18.1817 -18.1817 -17.9645 -17.9645 -17.9617 -17.9617 -17.7614 -17.7614 -17.3133 -17.3133 -17.1764 -17.1764 -0.6805 -0.6805 -0.6685 -0.6685 -0.5374 -0.5374 -0.4535 -0.4535 -0.4099 -0.4099 -0.3393 -0.3393 -0.1487 -0.1487 0.0973 0.0973 0.1546 0.1546 0.3221 0.3221 0.5783 0.5783 0.6089 0.6089 1.3352 1.3352 1.3729 1.3729 1.6898 1.6898 1.7087 1.7087 1.7162 1.7162 1.7186 1.7186 9.5301 9.5301 9.6743 9.6743 10.0310 10.0310 11.7651 11.7651 13.2299 13.2299 13.9855 13.9855 k = 0.0541 0.0312 0.5355 ( 11838 PWs) bands (ev): -57.0171 -57.0171 -38.7817 -38.7817 -38.7573 -38.7573 -31.4082 -31.4082 -24.0329 -24.0329 -24.0037 -24.0037 -18.1796 -18.1796 -17.9675 -17.9675 -17.9625 -17.9625 -17.7591 -17.7591 -17.3129 -17.3129 -17.1770 -17.1770 -0.6883 -0.6883 -0.6700 -0.6700 -0.5722 -0.5722 -0.4769 -0.4769 -0.4136 -0.4136 -0.3157 -0.3157 -0.1191 -0.1191 0.1001 0.1001 0.1679 0.1679 0.3360 0.3360 0.5814 0.5814 0.6138 0.6138 1.3316 1.3316 1.3704 1.3704 1.6863 1.6863 1.7035 1.7035 1.7137 1.7137 1.7174 1.7174 9.5291 9.5291 9.6730 9.6730 10.0297 10.0297 11.7803 11.7803 13.2242 13.2242 13.9804 13.9804 k = 0.0676 0.0390 0.5355 ( 11864 PWs) bands (ev): -57.0171 -57.0171 -38.7816 -38.7816 -38.7574 -38.7574 -31.4082 -31.4082 -24.0329 -24.0329 -24.0039 -24.0039 -18.1770 -18.1770 -17.9711 -17.9711 -17.9636 -17.9636 -17.7563 -17.7563 -17.3125 -17.3125 -17.1776 -17.1776 -0.6991 -0.6991 -0.6737 -0.6737 -0.6050 -0.6050 -0.5015 -0.5015 -0.4162 -0.4162 -0.2957 -0.2957 -0.0867 -0.0867 0.1042 0.1042 0.1842 0.1842 0.3535 0.3535 0.5854 0.5854 0.6200 0.6200 1.3266 1.3266 1.3675 1.3675 1.6816 1.6816 1.6970 1.6970 1.7109 1.7109 1.7159 1.7159 9.5278 9.5278 9.6713 9.6713 10.0281 10.0281 11.7998 11.7998 13.2170 13.2170 13.9722 13.9722 k = 0.0811 0.0468 0.5355 ( 11866 PWs) bands (ev): -57.0171 -57.0171 -38.7815 -38.7815 -38.7575 -38.7575 -31.4082 -31.4082 -24.0329 -24.0329 -24.0042 -24.0042 -18.1738 -18.1738 -17.9753 -17.9753 -17.9649 -17.9649 -17.7531 -17.7531 -17.3119 -17.3119 -17.1785 -17.1785 -0.7139 -0.7139 -0.6819 -0.6819 -0.6343 -0.6343 -0.5237 -0.5237 -0.4185 -0.4185 -0.2794 -0.2794 -0.0529 -0.0529 0.1099 0.1099 0.2030 0.2030 0.3741 0.3741 0.5904 0.5904 0.6275 0.6275 1.3200 1.3200 1.3643 1.3643 1.6757 1.6757 1.6893 1.6893 1.7078 1.7078 1.7140 1.7140 9.5262 9.5262 9.6692 9.6692 10.0262 10.0262 11.8235 11.8235 13.2084 13.2084 13.9607 13.9607 k = 0.0946 0.0546 0.5355 ( 11862 PWs) bands (ev): -57.0171 -57.0171 -38.7814 -38.7814 -38.7577 -38.7577 -31.4082 -31.4082 -24.0329 -24.0329 -24.0045 -24.0045 -18.1700 -18.1700 -17.9801 -17.9801 -17.9664 -17.9664 -17.7496 -17.7496 -17.3113 -17.3113 -17.1794 -17.1794 -0.7341 -0.7341 -0.6956 -0.6956 -0.6590 -0.6590 -0.5403 -0.5403 -0.4204 -0.4204 -0.2665 -0.2665 -0.0193 -0.0193 0.1179 0.1179 0.2237 0.2237 0.3975 0.3975 0.5963 0.5963 0.6363 0.6363 1.3116 1.3116 1.3611 1.3611 1.6686 1.6686 1.6805 1.6805 1.7044 1.7044 1.7118 1.7118 9.5243 9.5243 9.6668 9.6668 10.0239 10.0239 11.8514 11.8514 13.1986 13.1986 13.9462 13.9462 k = 0.1081 0.0624 0.5355 ( 11870 PWs) bands (ev): -57.0171 -57.0171 -38.7812 -38.7812 -38.7578 -38.7578 -31.4082 -31.4082 -24.0328 -24.0328 -24.0048 -24.0048 -18.1657 -18.1657 -17.9853 -17.9853 -17.9681 -17.9681 -17.7458 -17.7458 -17.3105 -17.3105 -17.1805 -17.1805 -0.7600 -0.7600 -0.7137 -0.7137 -0.6809 -0.6809 -0.5496 -0.5496 -0.4221 -0.4221 -0.2564 -0.2564 0.0122 0.0122 0.1296 0.1296 0.2455 0.2455 0.4234 0.4234 0.6033 0.6033 0.6465 0.6465 1.3014 1.3014 1.3578 1.3578 1.6603 1.6603 1.6709 1.6709 1.7007 1.7007 1.7091 1.7091 9.5222 9.5222 9.6640 9.6640 10.0213 10.0213 11.8833 11.8833 13.1876 13.1876 13.9290 13.9290 k = 0.1216 0.0702 0.5355 ( 11876 PWs) bands (ev): -57.0171 -57.0171 -38.7811 -38.7811 -38.7580 -38.7580 -31.4083 -31.4083 -24.0328 -24.0328 -24.0052 -24.0052 -18.1609 -18.1609 -17.9908 -17.9908 -17.9699 -17.9699 -17.7420 -17.7420 -17.3097 -17.3097 -17.1817 -17.1817 -0.7900 -0.7900 -0.7356 -0.7356 -0.7012 -0.7012 -0.5517 -0.5517 -0.4236 -0.4236 -0.2488 -0.2488 0.0392 0.0392 0.1468 0.1468 0.2680 0.2680 0.4515 0.4515 0.6114 0.6114 0.6580 0.6580 1.2893 1.2893 1.3546 1.3546 1.6510 1.6510 1.6607 1.6607 1.6968 1.6968 1.7061 1.7061 9.5197 9.5197 9.6609 9.6609 10.0184 10.0184 11.9192 11.9192 13.1756 13.1756 13.9094 13.9094 k = 0.1351 0.0780 0.5355 ( 11884 PWs) bands (ev): -57.0171 -57.0171 -38.7809 -38.7809 -38.7582 -38.7582 -31.4083 -31.4083 -24.0328 -24.0328 -24.0056 -24.0056 -18.1556 -18.1556 -17.9965 -17.9965 -17.9719 -17.9719 -17.7381 -17.7381 -17.3088 -17.3088 -17.1831 -17.1831 -0.8219 -0.8219 -0.7623 -0.7623 -0.7188 -0.7188 -0.5485 -0.5485 -0.4248 -0.4248 -0.2432 -0.2432 0.0598 0.0598 0.1708 0.1708 0.2905 0.2905 0.4815 0.4815 0.6204 0.6204 0.6708 0.6708 1.2754 1.2754 1.3513 1.3513 1.6408 1.6408 1.6499 1.6499 1.6926 1.6926 1.7028 1.7028 9.5170 9.5170 9.6575 9.6575 10.0153 10.0153 11.9590 11.9590 13.1627 13.1627 13.8876 13.8876 k = 0.1486 0.0858 0.5355 ( 11882 PWs) bands (ev): -57.0171 -57.0171 -38.7807 -38.7807 -38.7584 -38.7584 -31.4083 -31.4083 -24.0328 -24.0328 -24.0060 -24.0060 -18.1499 -18.1499 -18.0025 -18.0025 -17.9741 -17.9741 -17.7342 -17.7342 -17.3079 -17.3079 -17.1845 -17.1845 -0.8545 -0.8545 -0.7927 -0.7927 -0.7340 -0.7340 -0.5415 -0.5415 -0.4256 -0.4256 -0.2391 -0.2391 0.0746 0.0746 0.2008 0.2008 0.3126 0.3126 0.5130 0.5130 0.6305 0.6305 0.6849 0.6849 1.2596 1.2596 1.3480 1.3480 1.6298 1.6298 1.6386 1.6386 1.6882 1.6882 1.6992 1.6992 9.5141 9.5141 9.6538 9.6538 10.0119 10.0119 12.0025 12.0025 13.1491 13.1491 13.8639 13.8639 k = 0.1622 0.0936 0.5355 ( 11860 PWs) bands (ev): -57.0170 -57.0170 -38.7805 -38.7805 -38.7586 -38.7586 -31.4084 -31.4084 -24.0327 -24.0327 -24.0065 -24.0065 -18.1437 -18.1437 -18.0085 -18.0085 -17.9763 -17.9763 -17.7304 -17.7304 -17.3068 -17.3068 -17.1860 -17.1860 -0.8870 -0.8870 -0.8252 -0.8252 -0.7475 -0.7475 -0.5319 -0.5319 -0.4262 -0.4262 -0.2361 -0.2361 0.0852 0.0852 0.2344 0.2344 0.3340 0.3340 0.5458 0.5458 0.6417 0.6417 0.7004 0.7004 1.2421 1.2421 1.3448 1.3448 1.6182 1.6182 1.6271 1.6271 1.6833 1.6833 1.6952 1.6952 9.5109 9.5109 9.6498 9.6498 10.0083 10.0083 12.0496 12.0496 13.1348 13.1348 13.8385 13.8385 k = 0.1757 0.1014 0.5355 ( 11870 PWs) bands (ev): -57.0170 -57.0170 -38.7802 -38.7802 -38.7588 -38.7588 -31.4084 -31.4084 -24.0327 -24.0327 -24.0070 -24.0070 -18.1371 -18.1371 -18.0147 -18.0147 -17.9787 -17.9787 -17.7267 -17.7267 -17.3058 -17.3058 -17.1876 -17.1876 -0.9190 -0.9190 -0.8587 -0.8587 -0.7599 -0.7599 -0.5205 -0.5205 -0.4265 -0.4265 -0.2340 -0.2340 0.0932 0.0932 0.2693 0.2693 0.3545 0.3545 0.5794 0.5794 0.6541 0.6541 0.7171 0.7171 1.2231 1.2231 1.3414 1.3414 1.6062 1.6062 1.6154 1.6154 1.6782 1.6782 1.6909 1.6909 9.5074 9.5074 9.6456 9.6456 10.0045 10.0045 12.1003 12.1003 13.1200 13.1200 13.8117 13.8117 k = 0.1892 0.1092 0.5355 ( 11870 PWs) bands (ev): -57.0170 -57.0170 -38.7800 -38.7800 -38.7590 -38.7590 -31.4085 -31.4085 -24.0327 -24.0327 -24.0075 -24.0075 -18.1302 -18.1302 -18.0208 -18.0208 -17.9811 -17.9811 -17.7232 -17.7232 -17.3047 -17.3047 -17.1892 -17.1892 -0.9503 -0.9503 -0.8924 -0.8924 -0.7713 -0.7713 -0.5076 -0.5076 -0.4264 -0.4264 -0.2324 -0.2324 0.0997 0.0997 0.3039 0.3039 0.3744 0.3744 0.6134 0.6134 0.6677 0.6677 0.7351 0.7351 1.2026 1.2026 1.3380 1.3380 1.5937 1.5937 1.6038 1.6038 1.6727 1.6727 1.6864 1.6864 9.5037 9.5037 9.6412 9.6412 10.0006 10.0006 12.1542 12.1542 13.1048 13.1048 13.7837 13.7837 k = 0.2027 0.1170 0.5355 ( 11870 PWs) bands (ev): -57.0170 -57.0170 -38.7797 -38.7797 -38.7593 -38.7593 -31.4085 -31.4085 -24.0326 -24.0326 -24.0080 -24.0080 -18.1230 -18.1230 -18.0269 -18.0269 -17.9835 -17.9835 -17.7200 -17.7200 -17.3036 -17.3036 -17.1909 -17.1909 -0.9808 -0.9808 -0.9258 -0.9258 -0.7818 -0.7818 -0.4939 -0.4939 -0.4259 -0.4259 -0.2310 -0.2310 0.1051 0.1051 0.3361 0.3361 0.3947 0.3947 0.6466 0.6466 0.6836 0.6836 0.7541 0.7541 1.1809 1.1809 1.3345 1.3345 1.5810 1.5810 1.5923 1.5923 1.6669 1.6669 1.6815 1.6815 9.4998 9.4998 9.6365 9.6365 9.9966 9.9966 12.2113 12.2113 13.0894 13.0894 13.7548 13.7548 k = 0.2162 0.1248 0.5355 ( 11860 PWs) bands (ev): -57.0170 -57.0170 -38.7794 -38.7794 -38.7596 -38.7596 -31.4085 -31.4085 -24.0326 -24.0326 -24.0086 -24.0086 -18.1156 -18.1156 -18.0329 -18.0329 -17.9860 -17.9860 -17.7170 -17.7170 -17.3026 -17.3026 -17.1925 -17.1925 -1.0104 -1.0104 -0.9588 -0.9588 -0.7914 -0.7914 -0.4795 -0.4795 -0.4250 -0.4250 -0.2294 -0.2294 0.1096 0.1096 0.3635 0.3635 0.4171 0.4171 0.6759 0.6759 0.7046 0.7046 0.7741 0.7741 1.1583 1.1583 1.3310 1.3310 1.5680 1.5680 1.5812 1.5812 1.6606 1.6606 1.6764 1.6764 9.4957 9.4957 9.6317 9.6317 9.9925 9.9925 12.2713 12.2713 13.0738 13.0738 13.7253 13.7253 k = 0.2297 0.1326 0.5355 ( 11860 PWs) bands (ev): -57.0170 -57.0170 -38.7791 -38.7791 -38.7599 -38.7599 -31.4086 -31.4086 -24.0326 -24.0326 -24.0091 -24.0091 -18.1079 -18.1079 -18.0388 -18.0388 -17.9884 -17.9884 -17.7143 -17.7143 -17.3016 -17.3016 -17.1942 -17.1942 -1.0390 -1.0390 -0.9910 -0.9910 -0.8000 -0.8000 -0.4651 -0.4651 -0.4235 -0.4235 -0.2275 -0.2275 0.1133 0.1133 0.3841 0.3841 0.4431 0.4431 0.6978 0.6978 0.7335 0.7335 0.7950 0.7950 1.1350 1.1350 1.3273 1.3273 1.5550 1.5550 1.5704 1.5704 1.6541 1.6541 1.6710 1.6710 9.4914 9.4914 9.6268 9.6268 9.9884 9.9884 12.3340 12.3340 13.0582 13.0582 13.6954 13.6954 k = 0.2432 0.1404 0.5355 ( 11854 PWs) bands (ev): -57.0170 -57.0170 -38.7788 -38.7788 -38.7602 -38.7602 -31.4086 -31.4086 -24.0326 -24.0326 -24.0096 -24.0096 -18.1001 -18.1001 -18.0446 -18.0446 -17.9908 -17.9908 -17.7119 -17.7119 -17.3006 -17.3006 -17.1958 -17.1958 -1.0665 -1.0665 -1.0224 -1.0224 -0.8076 -0.8076 -0.4512 -0.4512 -0.4212 -0.4212 -0.2248 -0.2248 0.1163 0.1163 0.3986 0.3986 0.4720 0.4720 0.7154 0.7154 0.7668 0.7668 0.8168 0.8168 1.1113 1.1113 1.3235 1.3235 1.5421 1.5421 1.5601 1.5601 1.6471 1.6471 1.6653 1.6653 9.4869 9.4869 9.6219 9.6219 9.9843 9.9843 12.3992 12.3992 13.0427 13.0427 13.6655 13.6655 k = 0.2568 0.1482 0.5355 ( 11856 PWs) bands (ev): -57.0170 -57.0170 -38.7785 -38.7785 -38.7605 -38.7605 -31.4087 -31.4087 -24.0325 -24.0325 -24.0102 -24.0102 -18.0923 -18.0923 -18.0501 -18.0501 -17.9930 -17.9930 -17.7099 -17.7099 -17.2997 -17.2997 -17.1974 -17.1974 -1.0929 -1.0929 -1.0527 -1.0527 -0.8142 -0.8142 -0.4389 -0.4389 -0.4173 -0.4173 -0.2211 -0.2211 0.1186 0.1186 0.4085 0.4085 0.5017 0.5017 0.7319 0.7319 0.8007 0.8007 0.8397 0.8397 1.0877 1.0877 1.3196 1.3196 1.5296 1.5296 1.5502 1.5502 1.6397 1.6397 1.6595 1.6595 9.4823 9.4823 9.6168 9.6168 9.9802 9.9802 12.4667 12.4667 13.0275 13.0275 13.6359 13.6359 k = 0.2703 0.1560 0.5355 ( 11848 PWs) bands (ev): -57.0170 -57.0170 -38.7782 -38.7782 -38.7608 -38.7608 -31.4087 -31.4087 -24.0325 -24.0325 -24.0107 -24.0107 -18.0847 -18.0847 -18.0554 -18.0554 -17.9950 -17.9950 -17.7082 -17.7082 -17.2989 -17.2989 -17.1988 -17.1988 -1.1181 -1.1181 -1.0818 -1.0818 -0.8198 -0.8198 -0.4299 -0.4299 -0.4106 -0.4106 -0.2158 -0.2158 0.1199 0.1199 0.4152 0.4152 0.5309 0.5309 0.7480 0.7480 0.8329 0.8329 0.8645 0.8645 1.0644 1.0644 1.3154 1.3154 1.5176 1.5176 1.5408 1.5408 1.6320 1.6320 1.6534 1.6534 9.4775 9.4775 9.6118 9.6118 9.9762 9.9762 12.5360 12.5360 13.0125 13.0125 13.6071 13.6071 k = 0.2838 0.1638 0.5355 ( 11844 PWs) bands (ev): -57.0170 -57.0170 -38.7779 -38.7779 -38.7611 -38.7611 -31.4087 -31.4087 -24.0325 -24.0325 -24.0112 -24.0112 -18.0774 -18.0774 -18.0602 -18.0602 -17.9969 -17.9969 -17.7068 -17.7068 -17.2983 -17.2983 -17.2002 -17.2002 -1.1421 -1.1421 -1.1097 -1.1097 -0.8245 -0.8245 -0.4243 -0.4243 -0.4012 -0.4012 -0.2087 -0.2087 0.1204 0.1204 0.4191 0.4191 0.5589 0.5589 0.7639 0.7639 0.8610 0.8610 0.8927 0.8927 1.0420 1.0420 1.3109 1.3109 1.5064 1.5064 1.5318 1.5318 1.6239 1.6239 1.6470 1.6470 9.4727 9.4727 9.6068 9.6068 9.9723 9.9723 12.6068 12.6068 12.9980 12.9980 13.5795 13.5795 k = 0.2973 0.1716 0.5355 ( 11844 PWs) bands (ev): -57.0170 -57.0170 -38.7775 -38.7775 -38.7615 -38.7615 -31.4088 -31.4088 -24.0325 -24.0325 -24.0117 -24.0117 -18.0718 -18.0718 -18.0633 -18.0633 -17.9983 -17.9983 -17.7058 -17.7058 -17.2978 -17.2978 -17.2014 -17.2014 -1.1649 -1.1649 -1.1362 -1.1362 -0.8282 -0.8282 -0.4203 -0.4203 -0.3914 -0.3914 -0.1995 -0.1995 0.1198 0.1198 0.4207 0.4207 0.5854 0.5854 0.7797 0.7797 0.8846 0.8846 0.9240 0.9240 1.0212 1.0212 1.3060 1.3060 1.4962 1.4962 1.5234 1.5234 1.6153 1.6153 1.6405 1.6405 9.4678 9.4678 9.6019 9.6019 9.9686 9.9686 12.6786 12.6786 12.9840 12.9840 13.5537 13.5537 k = 0.3108 0.1794 0.5355 ( 11862 PWs) bands (ev): -57.0170 -57.0170 -38.7772 -38.7772 -38.7618 -38.7618 -31.4088 -31.4088 -24.0326 -24.0326 -24.0122 -24.0122 -18.0725 -18.0725 -18.0603 -18.0603 -17.9993 -17.9993 -17.7051 -17.7051 -17.2974 -17.2974 -17.2025 -17.2025 -1.1864 -1.1864 -1.1613 -1.1613 -0.8311 -0.8311 -0.4167 -0.4167 -0.3827 -0.3827 -0.1880 -0.1880 0.1182 0.1182 0.4201 0.4201 0.6102 0.6102 0.7950 0.7950 0.9045 0.9045 0.9557 0.9557 1.0039 1.0039 1.3005 1.3005 1.4873 1.4873 1.5156 1.5156 1.6064 1.6064 1.6338 1.6338 9.4628 9.4628 9.5971 9.5971 9.9650 9.9650 12.7505 12.7505 12.9708 12.9708 13.5304 13.5304 k = 0.3243 0.1872 0.5355 ( 11860 PWs) bands (ev): -57.0170 -57.0170 -38.7768 -38.7768 -38.7621 -38.7621 -31.4089 -31.4089 -24.0326 -24.0326 -24.0126 -24.0126 -18.0763 -18.0763 -18.0547 -18.0547 -17.9997 -17.9997 -17.7046 -17.7046 -17.2972 -17.2972 -17.2034 -17.2034 -1.2066 -1.2066 -1.1849 -1.1849 -0.8331 -0.8331 -0.4131 -0.4131 -0.3753 -0.3753 -0.1741 -0.1741 0.1156 0.1156 0.4174 0.4174 0.6331 0.6331 0.8095 0.8095 0.9204 0.9204 0.9767 0.9767 1.0015 1.0015 1.2945 1.2945 1.4798 1.4798 1.5083 1.5083 1.5971 1.5971 1.6270 1.6270 9.4579 9.4579 9.5925 9.5925 9.9616 9.9616 12.8214 12.8214 12.9587 12.9587 13.5106 13.5106 k = 0.3378 0.1951 0.5355 ( 11872 PWs) bands (ev): -57.0170 -57.0170 -38.7765 -38.7765 -38.7625 -38.7625 -31.4089 -31.4089 -24.0326 -24.0326 -24.0131 -24.0131 -18.0802 -18.0802 -18.0494 -18.0494 -17.9992 -17.9992 -17.7045 -17.7045 -17.2971 -17.2971 -17.2041 -17.2041 -1.2255 -1.2255 -1.2068 -1.2068 -0.8343 -0.8343 -0.4093 -0.4093 -0.3696 -0.3696 -0.1581 -0.1581 0.1119 0.1119 0.4128 0.4128 0.6542 0.6542 0.8227 0.8227 0.9291 0.9291 0.9763 0.9763 1.0284 1.0284 1.2877 1.2877 1.4739 1.4739 1.5016 1.5016 1.5875 1.5875 1.6200 1.6200 9.4531 9.4531 9.5882 9.5882 9.9585 9.9585 12.8880 12.8880 12.9498 12.9498 13.4957 13.4957 k = 0.3514 0.2029 0.5355 ( 11852 PWs) bands (ev): -57.0170 -57.0170 -38.7761 -38.7761 -38.7628 -38.7628 -31.4089 -31.4089 -24.0326 -24.0326 -24.0135 -24.0135 -18.0840 -18.0840 -18.0451 -18.0451 -17.9978 -17.9978 -17.7046 -17.7046 -17.2972 -17.2972 -17.2047 -17.2047 -1.2431 -1.2431 -1.2271 -1.2271 -0.8349 -0.8349 -0.4053 -0.4053 -0.3653 -0.3653 -0.1403 -0.1403 0.1072 0.1072 0.4064 0.4064 0.6734 0.6734 0.8338 0.8338 0.9284 0.9284 0.9823 0.9823 1.0595 1.0595 1.2801 1.2801 1.4697 1.4697 1.4955 1.4955 1.5775 1.5775 1.6128 1.6128 9.4483 9.4483 9.5840 9.5840 9.9555 9.9555 12.9235 12.9235 12.9690 12.9690 13.4876 13.4876 k = 0.3649 0.2107 0.5355 ( 11856 PWs) bands (ev): -57.0170 -57.0170 -38.7758 -38.7758 -38.7632 -38.7632 -31.4090 -31.4090 -24.0327 -24.0327 -24.0139 -24.0139 -18.0875 -18.0875 -18.0419 -18.0419 -17.9954 -17.9954 -17.7050 -17.7050 -17.2974 -17.2974 -17.2052 -17.2052 -1.2595 -1.2595 -1.2456 -1.2456 -0.8349 -0.8349 -0.4012 -0.4012 -0.3622 -0.3622 -0.1210 -0.1210 0.1016 0.1016 0.3983 0.3983 0.6908 0.6908 0.8415 0.8415 0.9244 0.9244 0.9943 0.9943 1.0902 1.0902 1.2718 1.2718 1.4671 1.4671 1.4900 1.4900 1.5672 1.5672 1.6056 1.6056 9.4438 9.4438 9.5801 9.5801 9.9528 9.9528 12.9185 12.9185 13.0228 13.0228 13.4891 13.4891 k = 0.3784 0.2185 0.5355 ( 11860 PWs) bands (ev): -57.0170 -57.0170 -38.7755 -38.7755 -38.7635 -38.7635 -31.4090 -31.4090 -24.0327 -24.0327 -24.0142 -24.0142 -18.0908 -18.0908 -18.0398 -18.0398 -17.9921 -17.9921 -17.7055 -17.7055 -17.2978 -17.2978 -17.2055 -17.2055 -1.2745 -1.2745 -1.2622 -1.2622 -0.8345 -0.8345 -0.3968 -0.3968 -0.3601 -0.3601 -0.1008 -0.1008 0.0953 0.0953 0.3887 0.3887 0.7065 0.7065 0.8446 0.8446 0.9231 0.9231 1.0080 1.0080 1.1197 1.1197 1.2629 1.2629 1.4660 1.4660 1.4853 1.4853 1.5566 1.5566 1.5983 1.5983 9.4394 9.4394 9.5766 9.5766 9.9503 9.9503 12.9099 12.9099 13.0713 13.0713 13.5034 13.5034 k = 0.3919 0.2263 0.5355 ( 11872 PWs) bands (ev): -57.0170 -57.0170 -38.7751 -38.7751 -38.7638 -38.7638 -31.4090 -31.4090 -24.0327 -24.0327 -24.0145 -24.0145 -18.0937 -18.0937 -18.0386 -18.0386 -17.9882 -17.9882 -17.7062 -17.7062 -17.2981 -17.2981 -17.2057 -17.2057 -1.2884 -1.2884 -1.2770 -1.2770 -0.8337 -0.8337 -0.3923 -0.3923 -0.3587 -0.3587 -0.0800 -0.0800 0.0884 0.0884 0.3778 0.3778 0.7205 0.7205 0.8432 0.8432 0.9258 0.9258 1.0218 1.0218 1.1477 1.1477 1.2534 1.2534 1.4662 1.4662 1.4812 1.4812 1.5459 1.5459 1.5909 1.5909 9.4353 9.4353 9.5733 9.5733 9.9480 9.9480 12.9015 12.9015 13.1079 13.1079 13.5331 13.5331 k = 0.4054 0.2341 0.5355 ( 11868 PWs) bands (ev): -57.0170 -57.0170 -38.7748 -38.7748 -38.7642 -38.7642 -31.4091 -31.4091 -24.0328 -24.0328 -24.0148 -24.0148 -18.0963 -18.0963 -18.0380 -18.0380 -17.9840 -17.9840 -17.7070 -17.7070 -17.2986 -17.2986 -17.2058 -17.2058 -1.3009 -1.3009 -1.2898 -1.2898 -0.8327 -0.8327 -0.3878 -0.3878 -0.3579 -0.3579 -0.0591 -0.0591 0.0813 0.0813 0.3659 0.3659 0.7329 0.7329 0.8389 0.8389 0.9315 0.9315 1.0352 1.0352 1.1738 1.1738 1.2436 1.2436 1.4673 1.4673 1.4782 1.4782 1.5351 1.5351 1.5836 1.5836 9.4316 9.4316 9.5704 9.5704 9.9460 9.9460 12.8938 12.8938 13.1319 13.1319 13.5782 13.5782 k = 0.4189 0.2419 0.5355 ( 11868 PWs) bands (ev): -57.0170 -57.0170 -38.7745 -38.7745 -38.7645 -38.7645 -31.4091 -31.4091 -24.0328 -24.0328 -24.0150 -24.0150 -18.0986 -18.0986 -18.0378 -18.0378 -17.9799 -17.9799 -17.7078 -17.7078 -17.2991 -17.2991 -17.2059 -17.2059 -1.3120 -1.3120 -1.3007 -1.3007 -0.8316 -0.8316 -0.3833 -0.3833 -0.3576 -0.3576 -0.0388 -0.0388 0.0743 0.0743 0.3534 0.3534 0.7438 0.7438 0.8333 0.8333 0.9384 0.9384 1.0480 1.0480 1.1976 1.1976 1.2340 1.2340 1.4683 1.4683 1.4766 1.4766 1.5246 1.5246 1.5763 1.5763 9.4282 9.4282 9.5679 9.5679 9.9443 9.9443 12.8870 12.8870 13.1453 13.1453 13.6361 13.6361 k = 0.4324 0.2497 0.5355 ( 11868 PWs) bands (ev): -57.0170 -57.0170 -38.7743 -38.7743 -38.7647 -38.7647 -31.4091 -31.4091 -24.0328 -24.0328 -24.0152 -24.0152 -18.1006 -18.1006 -18.0379 -18.0379 -17.9760 -17.9760 -17.7086 -17.7086 -17.2995 -17.2995 -17.2058 -17.2058 -1.3215 -1.3215 -1.3098 -1.3098 -0.8304 -0.8304 -0.3791 -0.3791 -0.3575 -0.3575 -0.0196 -0.0196 0.0678 0.0678 0.3406 0.3406 0.7531 0.7531 0.8275 0.8275 0.9455 0.9455 1.0600 1.0600 1.2146 1.2146 1.2290 1.2290 1.4681 1.4681 1.4772 1.4772 1.5148 1.5148 1.5692 1.5692 9.4252 9.4252 9.5657 9.5657 9.9428 9.9428 12.8811 12.8811 13.1515 13.1515 13.7026 13.7026 k = 0.4459 0.2575 0.5355 ( 11876 PWs) bands (ev): -57.0170 -57.0170 -38.7740 -38.7740 -38.7649 -38.7649 -31.4091 -31.4091 -24.0329 -24.0329 -24.0154 -24.0154 -18.1022 -18.1022 -18.0381 -18.0381 -17.9726 -17.9726 -17.7093 -17.7093 -17.2999 -17.2999 -17.2058 -17.2058 -1.3295 -1.3295 -1.3172 -1.3172 -0.8293 -0.8293 -0.3752 -0.3752 -0.3577 -0.3577 -0.0024 -0.0024 0.0623 0.0623 0.3283 0.3283 0.7610 0.7610 0.8222 0.8222 0.9518 0.9518 1.0710 1.0710 1.2108 1.2108 1.2425 1.2425 1.4670 1.4670 1.4787 1.4787 1.5066 1.5066 1.5625 1.5625 9.4227 9.4227 9.5639 9.5639 9.9416 9.9416 12.8763 12.8763 13.1535 13.1535 13.7734 13.7734 k = 0.4595 0.2653 0.5355 ( 11884 PWs) bands (ev): -57.0170 -57.0170 -38.7739 -38.7739 -38.7651 -38.7651 -31.4091 -31.4091 -24.0329 -24.0329 -24.0155 -24.0155 -18.1034 -18.1034 -18.0383 -18.0383 -17.9698 -17.9698 -17.7099 -17.7099 -17.3003 -17.3003 -17.2057 -17.2057 -1.3358 -1.3358 -1.3229 -1.3229 -0.8284 -0.8284 -0.3718 -0.3718 -0.3581 -0.3581 0.0117 0.0117 0.0585 0.0585 0.3172 0.3172 0.7675 0.7675 0.8176 0.8176 0.9571 0.9571 1.0807 1.0807 1.2025 1.2025 1.2581 1.2581 1.4660 1.4660 1.4788 1.4788 1.5014 1.5014 1.5564 1.5564 9.4208 9.4208 9.5625 9.5625 9.9407 9.9407 12.8725 12.8725 13.1534 13.1534 13.8438 13.8438 k = 0.4730 0.2731 0.5355 ( 11874 PWs) bands (ev): -57.0170 -57.0170 -38.7737 -38.7737 -38.7653 -38.7653 -31.4091 -31.4091 -24.0329 -24.0329 -24.0156 -24.0156 -18.1043 -18.1043 -18.0385 -18.0385 -17.9678 -17.9678 -17.7104 -17.7104 -17.3005 -17.3005 -17.2057 -17.2057 -1.3403 -1.3403 -1.3270 -1.3270 -0.8277 -0.8277 -0.3690 -0.3690 -0.3585 -0.3585 0.0215 0.0215 0.0569 0.0569 0.3082 0.3082 0.7724 0.7724 0.8140 0.8140 0.9610 0.9610 1.0887 1.0887 1.1953 1.1953 1.2704 1.2704 1.4652 1.4652 1.4765 1.4765 1.5001 1.5001 1.5512 1.5512 9.4193 9.4193 9.5615 9.5615 9.9400 9.9400 12.8698 12.8698 13.1525 13.1525 13.9075 13.9075 k = 0.4865 0.2809 0.5355 ( 11864 PWs) bands (ev): -57.0170 -57.0170 -38.7736 -38.7736 -38.7654 -38.7654 -31.4091 -31.4091 -24.0329 -24.0329 -24.0157 -24.0157 -18.1048 -18.1048 -18.0386 -18.0386 -17.9665 -17.9665 -17.7107 -17.7107 -17.3007 -17.3007 -17.2057 -17.2057 -1.3430 -1.3430 -1.3294 -1.3294 -0.8272 -0.8272 -0.3671 -0.3671 -0.3590 -0.3590 0.0265 0.0265 0.0572 0.0572 0.3023 0.3023 0.7755 0.7755 0.8116 0.8116 0.9634 0.9634 1.0940 1.0940 1.1902 1.1902 1.2783 1.2783 1.4648 1.4648 1.4737 1.4737 1.5008 1.5008 1.5477 1.5477 9.4185 9.4185 9.5609 9.5609 9.9396 9.9396 12.8682 12.8682 13.1517 13.1517 13.9550 13.9550 k = 0.5000 0.2887 0.5355 ( 11852 PWs) bands (ev): -57.0170 -57.0170 -38.7736 -38.7736 -38.7654 -38.7654 -31.4091 -31.4091 -24.0329 -24.0329 -24.0157 -24.0157 -18.1050 -18.1050 -18.0386 -18.0386 -17.9661 -17.9661 -17.7108 -17.7108 -17.3007 -17.3007 -17.2056 -17.2056 -1.3439 -1.3439 -1.3302 -1.3302 -0.8271 -0.8271 -0.3664 -0.3664 -0.3592 -0.3592 0.0280 0.0280 0.0576 0.0576 0.3002 0.3002 0.7766 0.7766 0.8108 0.8108 0.9643 0.9643 1.0959 1.0959 1.1884 1.1884 1.2810 1.2810 1.4647 1.4647 1.4725 1.4725 1.5013 1.5013 1.5464 1.5464 9.4182 9.4182 9.5607 9.5607 9.9395 9.9395 12.8677 12.8677 13.1514 13.1514 13.9732 13.9732 k = 0.5000 0.2887 0.5355 ( 11852 PWs) bands (ev): -57.0170 -57.0170 -38.7736 -38.7736 -38.7654 -38.7654 -31.4091 -31.4091 -24.0329 -24.0329 -24.0157 -24.0157 -18.1050 -18.1050 -18.0386 -18.0386 -17.9661 -17.9661 -17.7108 -17.7108 -17.3007 -17.3007 -17.2056 -17.2056 -1.3439 -1.3439 -1.3302 -1.3302 -0.8271 -0.8271 -0.3664 -0.3664 -0.3592 -0.3592 0.0280 0.0280 0.0576 0.0576 0.3002 0.3002 0.7766 0.7766 0.8108 0.8108 0.9643 0.9643 1.0959 1.0959 1.1884 1.1884 1.2810 1.2810 1.4647 1.4647 1.4725 1.4725 1.5013 1.5013 1.5464 1.5464 9.4182 9.4182 9.5607 9.5607 9.9395 9.9395 12.8677 12.8677 13.1514 13.1514 13.9732 13.9732 k = 0.4924 0.3018 0.5355 ( 11852 PWs) bands (ev): -57.0170 -57.0170 -38.7736 -38.7736 -38.7654 -38.7654 -31.4091 -31.4091 -24.0329 -24.0329 -24.0157 -24.0157 -18.1050 -18.1050 -18.0387 -18.0387 -17.9661 -17.9661 -17.7108 -17.7108 -17.3006 -17.3006 -17.2058 -17.2058 -1.3437 -1.3437 -1.3296 -1.3296 -0.8271 -0.8271 -0.3962 -0.3962 -0.3304 -0.3304 0.0276 0.0276 0.0559 0.0559 0.3024 0.3024 0.7760 0.7760 0.8115 0.8115 0.9644 0.9644 1.0958 1.0958 1.1889 1.1889 1.2812 1.2812 1.4637 1.4637 1.4731 1.4731 1.5016 1.5016 1.5462 1.5462 9.4183 9.4183 9.5605 9.5605 9.9392 9.9392 12.8672 12.8672 13.1503 13.1503 13.9751 13.9751 k = 0.4848 0.3149 0.5355 ( 11868 PWs) bands (ev): -57.0170 -57.0170 -38.7736 -38.7736 -38.7654 -38.7654 -31.4091 -31.4091 -24.0329 -24.0329 -24.0157 -24.0157 -18.1048 -18.1048 -18.0389 -18.0389 -17.9661 -17.9661 -17.7106 -17.7106 -17.3003 -17.3003 -17.2062 -17.2062 -1.3431 -1.3431 -1.3280 -1.3280 -0.8273 -0.8273 -0.4297 -0.4297 -0.2994 -0.2994 0.0242 0.0242 0.0535 0.0535 0.3084 0.3084 0.7742 0.7742 0.8134 0.8134 0.9646 0.9646 1.0952 1.0952 1.1903 1.1903 1.2820 1.2820 1.4613 1.4613 1.4743 1.4743 1.5025 1.5025 1.5456 1.5456 9.4185 9.4185 9.5601 9.5601 9.9385 9.9385 12.8659 12.8659 13.1472 13.1472 13.9810 13.9810 k = 0.4773 0.3280 0.5355 ( 11864 PWs) bands (ev): -57.0170 -57.0170 -38.7735 -38.7735 -38.7655 -38.7655 -31.4091 -31.4091 -24.0328 -24.0328 -24.0158 -24.0158 -18.1045 -18.1045 -18.0393 -18.0393 -17.9660 -17.9660 -17.7103 -17.7103 -17.2997 -17.2997 -17.2069 -17.2069 -1.3422 -1.3422 -1.3253 -1.3253 -0.8277 -0.8277 -0.4633 -0.4633 -0.2699 -0.2699 0.0135 0.0135 0.0557 0.0557 0.3172 0.3172 0.7716 0.7716 0.8163 0.8163 0.9651 0.9651 1.0943 1.0943 1.1926 1.1926 1.2832 1.2832 1.4582 1.4582 1.4755 1.4755 1.5038 1.5038 1.5446 1.5446 9.4188 9.4188 9.5595 9.5595 9.9372 9.9372 12.8638 12.8638 13.1422 13.1422 13.9907 13.9907 k = 0.4697 0.3412 0.5355 ( 11858 PWs) bands (ev): -57.0170 -57.0170 -38.7734 -38.7734 -38.7655 -38.7655 -31.4091 -31.4091 -24.0328 -24.0328 -24.0159 -24.0159 -18.1042 -18.1042 -18.0399 -18.0399 -17.9659 -17.9659 -17.7099 -17.7099 -17.2988 -17.2988 -17.2079 -17.2079 -1.3409 -1.3409 -1.3215 -1.3215 -0.8283 -0.8283 -0.4967 -0.4967 -0.2422 -0.2422 -0.0041 -0.0041 0.0632 0.0632 0.3278 0.3278 0.7684 0.7684 0.8198 0.8198 0.9658 0.9658 1.0930 1.0930 1.1958 1.1958 1.2848 1.2848 1.4547 1.4547 1.4765 1.4765 1.5054 1.5054 1.5433 1.5433 9.4193 9.4193 9.5586 9.5586 9.9355 9.9355 12.8609 12.8609 13.1352 13.1352 14.0041 14.0041 k = 0.4621 0.3543 0.5355 ( 11858 PWs) bands (ev): -57.0170 -57.0170 -38.7734 -38.7734 -38.7656 -38.7656 -31.4092 -31.4092 -24.0327 -24.0327 -24.0160 -24.0160 -18.1037 -18.1037 -18.0407 -18.0407 -17.9658 -17.9658 -17.7094 -17.7094 -17.2978 -17.2978 -17.2091 -17.2091 -1.3392 -1.3392 -1.3167 -1.3167 -0.8294 -0.8294 -0.5292 -0.5292 -0.2166 -0.2166 -0.0262 -0.0262 0.0745 0.0745 0.3390 0.3390 0.7649 0.7649 0.8238 0.8238 0.9667 0.9667 1.0914 1.0914 1.1998 1.1998 1.2870 1.2870 1.4510 1.4510 1.4773 1.4773 1.5071 1.5071 1.5416 1.5416 9.4199 9.4199 9.5574 9.5574 9.9333 9.9333 12.8575 12.8575 13.1266 13.1266 14.0211 14.0211 k = 0.4545 0.3674 0.5355 ( 11858 PWs) bands (ev): -57.0170 -57.0170 -38.7733 -38.7733 -38.7657 -38.7657 -31.4092 -31.4092 -24.0327 -24.0327 -24.0161 -24.0161 -18.1031 -18.1031 -18.0417 -18.0417 -17.9655 -17.9655 -17.7089 -17.7089 -17.2965 -17.2965 -17.2106 -17.2106 -1.3373 -1.3373 -1.3109 -1.3109 -0.8313 -0.8313 -0.5603 -0.5603 -0.1932 -0.1932 -0.0509 -0.0509 0.0885 0.0885 0.3502 0.3502 0.7612 0.7612 0.8280 0.8280 0.9677 0.9677 1.0896 1.0896 1.2047 1.2047 1.2896 1.2896 1.4472 1.4472 1.4778 1.4778 1.5088 1.5088 1.5397 1.5397 9.4206 9.4206 9.5560 9.5560 9.9307 9.9307 12.8537 12.8537 13.1163 13.1163 14.0414 14.0414 k = 0.4470 0.3805 0.5355 ( 11868 PWs) bands (ev): -57.0170 -57.0170 -38.7731 -38.7731 -38.7658 -38.7658 -31.4092 -31.4092 -24.0326 -24.0326 -24.0163 -24.0163 -18.1025 -18.1025 -18.0429 -18.0429 -17.9652 -17.9652 -17.7083 -17.7083 -17.2950 -17.2950 -17.2123 -17.2123 -1.3350 -1.3350 -1.3043 -1.3043 -0.8343 -0.8343 -0.5892 -0.5892 -0.1725 -0.1725 -0.0770 -0.0770 0.1047 0.1047 0.3607 0.3607 0.7575 0.7575 0.8324 0.8324 0.9690 0.9690 1.0874 1.0874 1.2104 1.2104 1.2927 1.2927 1.4434 1.4434 1.4782 1.4782 1.5103 1.5103 1.5375 1.5375 9.4214 9.4214 9.5544 9.5544 9.9279 9.9279 12.8497 12.8497 13.1046 13.1046 14.0649 14.0649 k = 0.4394 0.3936 0.5355 ( 11880 PWs) bands (ev): -57.0170 -57.0170 -38.7730 -38.7730 -38.7660 -38.7660 -31.4092 -31.4092 -24.0325 -24.0325 -24.0165 -24.0165 -18.1017 -18.1017 -18.0443 -18.0443 -17.9647 -17.9647 -17.7076 -17.7076 -17.2934 -17.2934 -17.2142 -17.2142 -1.3323 -1.3323 -1.2970 -1.2970 -0.8390 -0.8390 -0.6150 -0.6150 -0.1559 -0.1559 -0.1022 -0.1022 0.1226 0.1226 0.3701 0.3701 0.7538 0.7538 0.8369 0.8369 0.9705 0.9705 1.0851 1.0851 1.2168 1.2168 1.2963 1.2963 1.4395 1.4395 1.4784 1.4784 1.5113 1.5113 1.5353 1.5353 9.4223 9.4223 9.5527 9.5527 9.9247 9.9247 12.8457 12.8457 13.0917 13.0917 14.0912 14.0912 k = 0.4318 0.4068 0.5355 ( 11876 PWs) bands (ev): -57.0170 -57.0170 -38.7728 -38.7728 -38.7661 -38.7661 -31.4092 -31.4092 -24.0324 -24.0324 -24.0167 -24.0167 -18.1008 -18.1008 -18.0459 -18.0459 -17.9640 -17.9640 -17.7069 -17.7069 -17.2916 -17.2916 -17.2164 -17.2164 -1.3293 -1.3293 -1.2892 -1.2892 -0.8462 -0.8462 -0.6368 -0.6368 -0.1537 -0.1537 -0.1158 -0.1158 0.1416 0.1416 0.3784 0.3784 0.7502 0.7502 0.8414 0.8414 0.9721 0.9721 1.0825 1.0825 1.2238 1.2238 1.3003 1.3003 1.4358 1.4358 1.4784 1.4784 1.5117 1.5117 1.5332 1.5332 9.4232 9.4232 9.5508 9.5508 9.9214 9.9214 12.8418 12.8418 13.0778 13.0778 14.1201 14.1201 k = 0.4242 0.4199 0.5355 ( 11872 PWs) bands (ev): -57.0170 -57.0170 -38.7727 -38.7727 -38.7663 -38.7663 -31.4092 -31.4092 -24.0323 -24.0323 -24.0169 -24.0169 -18.0998 -18.0998 -18.0478 -18.0478 -17.9632 -17.9632 -17.7063 -17.7063 -17.2896 -17.2896 -17.2186 -17.2186 -1.3260 -1.3260 -1.2810 -1.2810 -0.8564 -0.8564 -0.6535 -0.6535 -0.1753 -0.1753 -0.1079 -0.1079 0.1610 0.1610 0.3853 0.3853 0.7468 0.7468 0.8458 0.8458 0.9739 0.9739 1.0799 1.0799 1.2314 1.2314 1.3049 1.3049 1.4321 1.4321 1.4782 1.4782 1.5114 1.5114 1.5312 1.5312 9.4241 9.4241 9.5487 9.5487 9.9179 9.9179 12.8383 12.8383 13.0630 13.0630 14.1512 14.1512 k = 0.4167 0.4330 0.5355 ( 11874 PWs) bands (ev): -57.0170 -57.0170 -38.7725 -38.7725 -38.7665 -38.7665 -31.4092 -31.4092 -24.0322 -24.0322 -24.0171 -24.0171 -18.0987 -18.0987 -18.0499 -18.0499 -17.9623 -17.9623 -17.7056 -17.7056 -17.2876 -17.2876 -17.2211 -17.2211 -1.3222 -1.3222 -1.2726 -1.2726 -0.8699 -0.8699 -0.6646 -0.6646 -0.2040 -0.2040 -0.0946 -0.0946 0.1805 0.1805 0.3908 0.3908 0.7437 0.7437 0.8500 0.8500 0.9759 0.9759 1.0771 1.0771 1.2393 1.2393 1.3099 1.3099 1.4286 1.4286 1.4777 1.4777 1.5102 1.5102 1.5296 1.5296 9.4251 9.4251 9.5466 9.5466 9.9144 9.9144 12.8354 12.8354 13.0477 13.0477 14.1840 14.1840 k = 0.4091 0.4461 0.5355 ( 11872 PWs) bands (ev): -57.0170 -57.0170 -38.7723 -38.7723 -38.7667 -38.7667 -31.4092 -31.4092 -24.0321 -24.0321 -24.0173 -24.0173 -18.0975 -18.0975 -18.0522 -18.0522 -17.9612 -17.9612 -17.7049 -17.7049 -17.2854 -17.2854 -17.2236 -17.2236 -1.3181 -1.3181 -1.2643 -1.2643 -0.8864 -0.8864 -0.6700 -0.6700 -0.2342 -0.2342 -0.0813 -0.0813 0.1995 0.1995 0.3950 0.3950 0.7409 0.7409 0.8540 0.8540 0.9780 0.9780 1.0744 1.0744 1.2474 1.2474 1.3155 1.3155 1.4253 1.4253 1.4768 1.4768 1.5084 1.5084 1.5283 1.5283 9.4260 9.4260 9.5444 9.5444 9.9108 9.9108 12.8331 12.8331 13.0318 13.0318 14.2177 14.2177 k = 0.4015 0.4593 0.5355 ( 11880 PWs) bands (ev): -57.0170 -57.0170 -38.7721 -38.7721 -38.7669 -38.7669 -31.4092 -31.4092 -24.0320 -24.0320 -24.0175 -24.0175 -18.0961 -18.0961 -18.0547 -18.0547 -17.9601 -17.9601 -17.7044 -17.7044 -17.2832 -17.2832 -17.2262 -17.2262 -1.3137 -1.3137 -1.2563 -1.2563 -0.9050 -0.9050 -0.6703 -0.6703 -0.2649 -0.2649 -0.0686 -0.0686 0.2176 0.2176 0.3980 0.3980 0.7385 0.7385 0.8576 0.8576 0.9802 0.9802 1.0717 1.0717 1.2554 1.2554 1.3215 1.3215 1.4223 1.4223 1.4753 1.4753 1.5061 1.5061 1.5271 1.5271 9.4269 9.4269 9.5423 9.5423 9.9074 9.9074 12.8317 12.8317 13.0157 13.0157 14.2513 14.2513 k = 0.3939 0.4724 0.5355 ( 11876 PWs) bands (ev): -57.0170 -57.0170 -38.7718 -38.7718 -38.7671 -38.7671 -31.4092 -31.4092 -24.0319 -24.0319 -24.0177 -24.0177 -18.0947 -18.0947 -18.0573 -18.0573 -17.9588 -17.9588 -17.7038 -17.7038 -17.2809 -17.2809 -17.2288 -17.2288 -1.3088 -1.3088 -1.2490 -1.2490 -0.9247 -0.9247 -0.6660 -0.6660 -0.2956 -0.2956 -0.0569 -0.0569 0.2345 0.2345 0.3999 0.3999 0.7365 0.7365 0.8608 0.8608 0.9824 0.9824 1.0691 1.0691 1.2633 1.2633 1.3281 1.3281 1.4196 1.4196 1.4732 1.4732 1.5038 1.5038 1.5259 1.5259 9.4278 9.4278 9.5401 9.5401 9.9042 9.9042 12.8314 12.8314 12.9994 12.9994 14.2830 14.2830 k = 0.3864 0.4855 0.5355 ( 11892 PWs) bands (ev): -57.0170 -57.0170 -38.7716 -38.7716 -38.7674 -38.7674 -31.4092 -31.4092 -24.0318 -24.0318 -24.0179 -24.0179 -18.0931 -18.0931 -18.0600 -18.0600 -17.9575 -17.9575 -17.7034 -17.7034 -17.2786 -17.2786 -17.2314 -17.2314 -1.3035 -1.3035 -1.2427 -1.2427 -0.9442 -0.9442 -0.6579 -0.6579 -0.3262 -0.3262 -0.0463 -0.0463 0.2498 0.2498 0.4009 0.4009 0.7349 0.7349 0.8636 0.8636 0.9845 0.9845 1.0667 1.0667 1.2706 1.2706 1.3352 1.3352 1.4174 1.4174 1.4703 1.4703 1.5017 1.5017 1.5246 1.5246 9.4285 9.4285 9.5381 9.5381 9.9012 9.9012 12.8322 12.8322 12.9831 12.9831 14.3106 14.3106 k = 0.3788 0.4986 0.5355 ( 11896 PWs) bands (ev): -57.0170 -57.0170 -38.7713 -38.7713 -38.7677 -38.7677 -31.4092 -31.4092 -24.0318 -24.0318 -24.0181 -24.0181 -18.0915 -18.0915 -18.0628 -18.0628 -17.9562 -17.9562 -17.7030 -17.7030 -17.2764 -17.2764 -17.2339 -17.2339 -1.2978 -1.2978 -1.2378 -1.2378 -0.9628 -0.9628 -0.6464 -0.6464 -0.3565 -0.3565 -0.0367 -0.0367 0.2634 0.2634 0.4011 0.4011 0.7339 0.7339 0.8659 0.8659 0.9866 0.9866 1.0645 1.0645 1.2773 1.2773 1.3426 1.3426 1.4157 1.4157 1.4666 1.4666 1.4998 1.4998 1.5230 1.5230 9.4292 9.4292 9.5361 9.5361 9.8984 9.8984 12.8343 12.8343 12.9671 12.9671 14.3324 14.3324 k = 0.3712 0.5117 0.5355 ( 11908 PWs) bands (ev): -57.0170 -57.0170 -38.7711 -38.7711 -38.7679 -38.7679 -31.4092 -31.4092 -24.0317 -24.0317 -24.0182 -24.0182 -18.0897 -18.0897 -18.0656 -18.0656 -17.9550 -17.9550 -17.7027 -17.7027 -17.2743 -17.2743 -17.2363 -17.2363 -1.2916 -1.2916 -1.2347 -1.2347 -0.9794 -0.9794 -0.6321 -0.6321 -0.3864 -0.3864 -0.0284 -0.0284 0.2750 0.2750 0.4007 0.4007 0.7333 0.7333 0.8678 0.8678 0.9885 0.9885 1.0627 1.0627 1.2831 1.2831 1.3502 1.3502 1.4147 1.4147 1.4623 1.4623 1.4984 1.4984 1.5213 1.5213 9.4298 9.4298 9.5344 9.5344 9.8960 9.8960 12.8377 12.8377 12.9513 12.9513 14.3483 14.3483 k = 0.3636 0.5249 0.5355 ( 11902 PWs) bands (ev): -57.0170 -57.0170 -38.7708 -38.7708 -38.7682 -38.7682 -31.4093 -31.4093 -24.0316 -24.0316 -24.0183 -24.0183 -18.0878 -18.0878 -18.0685 -18.0685 -17.9539 -17.9539 -17.7024 -17.7024 -17.2724 -17.2724 -17.2385 -17.2385 -1.2851 -1.2851 -1.2338 -1.2338 -0.9934 -0.9934 -0.6151 -0.6151 -0.4157 -0.4157 -0.0214 -0.0214 0.2846 0.2846 0.4000 0.4000 0.7331 0.7331 0.8692 0.8692 0.9901 0.9901 1.0613 1.0613 1.2878 1.2878 1.3575 1.3575 1.4146 1.4146 1.4574 1.4574 1.4972 1.4972 1.5195 1.5195 9.4302 9.4302 9.5329 9.5329 9.8940 9.8940 12.8426 12.8426 12.9359 12.9359 14.3594 14.3594 k = 0.3561 0.5380 0.5355 ( 11904 PWs) bands (ev): -57.0170 -57.0170 -38.7705 -38.7705 -38.7685 -38.7685 -31.4093 -31.4093 -24.0316 -24.0316 -24.0185 -24.0185 -18.0858 -18.0858 -18.0712 -18.0712 -17.9529 -17.9529 -17.7022 -17.7022 -17.2707 -17.2707 -17.2404 -17.2404 -1.2781 -1.2781 -1.2353 -1.2353 -1.0044 -1.0044 -0.5958 -0.5958 -0.4444 -0.4444 -0.0159 -0.0159 0.2921 0.2921 0.3991 0.3991 0.7331 0.7331 0.8702 0.8702 0.9914 0.9914 1.0602 1.0602 1.2915 1.2915 1.3641 1.3641 1.4154 1.4154 1.4522 1.4522 1.4961 1.4961 1.5179 1.5179 9.4305 9.4305 9.5317 9.5317 9.8924 9.8924 12.8490 12.8490 12.9211 12.9211 14.3671 14.3671 k = 0.3485 0.5511 0.5355 ( 11900 PWs) bands (ev): -57.0170 -57.0170 -38.7701 -38.7701 -38.7688 -38.7688 -31.4093 -31.4093 -24.0315 -24.0315 -24.0185 -24.0185 -18.0837 -18.0837 -18.0740 -18.0740 -17.9521 -17.9521 -17.7021 -17.7021 -17.2694 -17.2694 -17.2419 -17.2419 -1.2707 -1.2707 -1.2392 -1.2392 -1.0120 -1.0120 -0.5744 -0.5744 -0.4723 -0.4723 -0.0119 -0.0119 0.2974 0.2974 0.3983 0.3983 0.7334 0.7334 0.8709 0.8709 0.9924 0.9924 1.0595 1.0595 1.2940 1.2940 1.3694 1.3694 1.4173 1.4173 1.4473 1.4473 1.4952 1.4952 1.5165 1.5165 9.4307 9.4307 9.5307 9.5307 9.8913 9.8913 12.8569 12.8569 12.9071 12.9071 14.3721 14.3721 k = 0.3409 0.5642 0.5355 ( 11904 PWs) bands (ev): -57.0170 -57.0170 -38.7698 -38.7698 -38.7692 -38.7692 -31.4093 -31.4093 -24.0315 -24.0315 -24.0186 -24.0186 -18.0814 -18.0814 -18.0766 -18.0766 -17.9516 -17.9516 -17.7021 -17.7021 -17.2686 -17.2686 -17.2428 -17.2428 -1.2630 -1.2630 -1.2451 -1.2451 -1.0163 -1.0163 -0.5511 -0.5511 -0.4994 -0.4994 -0.0095 -0.0095 0.3006 0.3006 0.3977 0.3977 0.7336 0.7336 0.8712 0.8712 0.9930 0.9930 1.0592 1.0592 1.2955 1.2955 1.3728 1.3728 1.4196 1.4196 1.4431 1.4431 1.4945 1.4945 1.5155 1.5155 9.4308 9.4308 9.5302 9.5302 9.8906 9.8906 12.8659 12.8659 12.8944 12.8944 14.3750 14.3750 k = 0.3333 0.5774 0.5355 ( 11916 PWs) bands (ev): -57.0170 -57.0170 -38.7695 -38.7695 -38.7695 -38.7695 -31.4093 -31.4093 -24.0315 -24.0315 -24.0186 -24.0186 -18.0791 -18.0791 -18.0790 -18.0790 -17.9514 -17.9514 -17.7021 -17.7021 -17.2683 -17.2683 -17.2431 -17.2431 -1.2573 -1.2573 -1.2504 -1.2504 -1.0177 -1.0177 -0.5286 -0.5286 -0.5231 -0.5231 -0.0087 -0.0087 0.3016 0.3016 0.3975 0.3975 0.7337 0.7337 0.8713 0.8713 0.9932 0.9932 1.0591 1.0591 1.2960 1.2960 1.3740 1.3740 1.4208 1.4208 1.4413 1.4413 1.4942 1.4942 1.5152 1.5152 9.4309 9.4309 9.5300 9.5300 9.8903 9.8903 12.8722 12.8722 12.8867 12.8867 14.3760 14.3760 k = 0.3333 0.5774 0.5355 ( 11916 PWs) bands (ev): -57.0170 -57.0170 -38.7695 -38.7695 -38.7695 -38.7695 -31.4093 -31.4093 -24.0315 -24.0315 -24.0186 -24.0186 -18.0791 -18.0791 -18.0790 -18.0790 -17.9514 -17.9514 -17.7021 -17.7021 -17.2683 -17.2683 -17.2431 -17.2431 -1.2573 -1.2573 -1.2504 -1.2504 -1.0177 -1.0177 -0.5286 -0.5286 -0.5231 -0.5231 -0.0087 -0.0087 0.3016 0.3016 0.3975 0.3975 0.7337 0.7337 0.8713 0.8713 0.9932 0.9932 1.0591 1.0591 1.2960 1.2960 1.3740 1.3740 1.4208 1.4208 1.4413 1.4413 1.4942 1.4942 1.5152 1.5152 9.4309 9.4309 9.5300 9.5300 9.8903 9.8903 12.8722 12.8722 12.8867 12.8867 14.3760 14.3760 k = 0.3256 0.5639 0.5355 ( 11908 PWs) bands (ev): -57.0170 -57.0170 -38.7698 -38.7698 -38.7691 -38.7691 -31.4093 -31.4093 -24.0315 -24.0315 -24.0186 -24.0186 -18.0814 -18.0814 -18.0765 -18.0765 -17.9516 -17.9516 -17.7021 -17.7021 -17.2686 -17.2686 -17.2428 -17.2428 -1.2639 -1.2639 -1.2440 -1.2440 -1.0164 -1.0164 -0.5519 -0.5519 -0.4986 -0.4986 -0.0095 -0.0095 0.3006 0.3006 0.3977 0.3977 0.7336 0.7336 0.8712 0.8712 0.9930 0.9930 1.0592 1.0592 1.2955 1.2955 1.3727 1.3727 1.4193 1.4193 1.4433 1.4433 1.4946 1.4946 1.5156 1.5156 9.4308 9.4308 9.5302 9.5302 9.8906 9.8906 12.8653 12.8653 12.8951 12.8951 14.3749 14.3749 k = 0.3178 0.5505 0.5355 ( 11898 PWs) bands (ev): -57.0170 -57.0170 -38.7702 -38.7702 -38.7688 -38.7688 -31.4093 -31.4093 -24.0315 -24.0315 -24.0185 -24.0185 -18.0836 -18.0836 -18.0739 -18.0739 -17.9523 -17.9523 -17.7021 -17.7021 -17.2693 -17.2693 -17.2419 -17.2419 -1.2736 -1.2736 -1.2347 -1.2347 -1.0130 -1.0130 -0.5768 -0.5768 -0.4703 -0.4703 -0.0119 -0.0119 0.2976 0.2976 0.3983 0.3983 0.7329 0.7329 0.8711 0.8711 0.9924 0.9924 1.0592 1.0592 1.2943 1.2943 1.3688 1.3688 1.4156 1.4156 1.4482 1.4482 1.4958 1.4958 1.5169 1.5169 9.4308 9.4308 9.5308 9.5308 9.8913 9.8913 12.8548 12.8548 12.9097 12.9097 14.3706 14.3706 k = 0.3101 0.5371 0.5355 ( 11890 PWs) bands (ev): -57.0170 -57.0170 -38.7706 -38.7706 -38.7684 -38.7684 -31.4093 -31.4093 -24.0316 -24.0316 -24.0184 -24.0184 -18.0856 -18.0856 -18.0712 -18.0712 -17.9534 -17.9534 -17.7021 -17.7021 -17.2704 -17.2704 -17.2406 -17.2406 -1.2836 -1.2836 -1.2245 -1.2245 -1.0078 -1.0078 -0.6005 -0.6005 -0.4411 -0.4411 -0.0156 -0.0156 0.2930 0.2930 0.3992 0.3992 0.7316 0.7316 0.8710 0.8710 0.9915 0.9915 1.0590 1.0590 1.2924 1.2924 1.3622 1.3622 1.4111 1.4111 1.4544 1.4544 1.4976 1.4976 1.5194 1.5194 9.4308 9.4308 9.5319 9.5319 9.8925 9.8925 12.8447 12.8447 12.9268 12.9268 14.3595 14.3595 k = 0.3023 0.5236 0.5355 ( 11886 PWs) bands (ev): -57.0170 -57.0170 -38.7709 -38.7709 -38.7680 -38.7680 -31.4093 -31.4093 -24.0316 -24.0316 -24.0183 -24.0183 -18.0873 -18.0873 -18.0683 -18.0683 -17.9551 -17.9551 -17.7021 -17.7021 -17.2717 -17.2717 -17.2391 -17.2391 -1.2932 -1.2932 -1.2138 -1.2138 -1.0012 -1.0012 -0.6232 -0.6232 -0.4115 -0.4115 -0.0206 -0.0206 0.2868 0.2868 0.4002 0.4002 0.7296 0.7296 0.8710 0.8710 0.9902 0.9902 1.0584 1.0584 1.2899 1.2899 1.3532 1.3532 1.4068 1.4068 1.4610 1.4610 1.4997 1.4997 1.5234 1.5234 9.4309 9.4309 9.5333 9.5333 9.8941 9.8941 12.8356 12.8356 12.9459 12.9459 14.3268 14.3268 k = 0.2946 0.5102 0.5355 ( 11878 PWs) bands (ev): -57.0170 -57.0170 -38.7713 -38.7713 -38.7676 -38.7676 -31.4092 -31.4092 -24.0317 -24.0317 -24.0181 -24.0181 -18.0887 -18.0887 -18.0654 -18.0654 -17.9573 -17.9573 -17.7020 -17.7020 -17.2731 -17.2731 -17.2373 -17.2373 -1.3020 -1.3020 -1.2025 -1.2025 -0.9935 -0.9935 -0.6446 -0.6446 -0.3819 -0.3819 -0.0263 -0.0263 0.2795 0.2795 0.4010 0.4010 0.7268 0.7268 0.8713 0.8713 0.9885 0.9885 1.0572 1.0572 1.2868 1.2868 1.3420 1.3420 1.4028 1.4028 1.4680 1.4680 1.5015 1.5015 1.5289 1.5289 9.4312 9.4312 9.5352 9.5352 9.8961 9.8961 12.8274 12.8274 12.9669 12.9669 14.2557 14.2557 k = 0.2868 0.4968 0.5355 ( 11874 PWs) bands (ev): -57.0170 -57.0170 -38.7717 -38.7717 -38.7673 -38.7673 -31.4092 -31.4092 -24.0317 -24.0317 -24.0179 -24.0179 -18.0899 -18.0899 -18.0623 -18.0623 -17.9601 -17.9601 -17.7019 -17.7019 -17.2746 -17.2746 -17.2354 -17.2354 -1.3097 -1.3097 -1.1906 -1.1906 -0.9849 -0.9849 -0.6649 -0.6649 -0.3531 -0.3531 -0.0322 -0.0322 0.2711 0.2711 0.4015 0.4015 0.7230 0.7230 0.8718 0.8718 0.9865 0.9865 1.0554 1.0554 1.2829 1.2829 1.3291 1.3291 1.3995 1.3995 1.4753 1.4753 1.5031 1.5031 1.5358 1.5358 9.4316 9.4316 9.5374 9.5374 9.8986 9.8986 12.8202 12.8202 12.9897 12.9897 14.1663 14.1663 k = 0.2791 0.4834 0.5355 ( 11878 PWs) bands (ev): -57.0170 -57.0170 -38.7721 -38.7721 -38.7669 -38.7669 -31.4092 -31.4092 -24.0318 -24.0318 -24.0177 -24.0177 -18.0907 -18.0907 -18.0592 -18.0592 -17.9635 -17.9635 -17.7018 -17.7018 -17.2761 -17.2761 -17.2335 -17.2335 -1.3160 -1.3160 -1.1781 -1.1781 -0.9754 -0.9754 -0.6838 -0.6838 -0.3259 -0.3259 -0.0378 -0.0378 0.2619 0.2619 0.4016 0.4016 0.7182 0.7182 0.8726 0.8726 0.9841 0.9841 1.0526 1.0526 1.2775 1.2775 1.3159 1.3159 1.3969 1.3969 1.4829 1.4829 1.5043 1.5043 1.5435 1.5435 9.4322 9.4322 9.5400 9.5400 9.9014 9.9014 12.8141 12.8141 13.0143 13.0143 14.0724 14.0724 k = 0.2713 0.4699 0.5355 ( 11870 PWs) bands (ev): -57.0170 -57.0170 -38.7725 -38.7725 -38.7665 -38.7665 -31.4092 -31.4092 -24.0318 -24.0318 -24.0175 -24.0175 -18.0913 -18.0913 -18.0559 -18.0559 -17.9674 -17.9674 -17.7016 -17.7016 -17.2775 -17.2775 -17.2315 -17.2315 -1.3209 -1.3209 -1.1651 -1.1651 -0.9652 -0.9652 -0.7014 -0.7014 -0.3014 -0.3014 -0.0419 -0.0419 0.2520 0.2520 0.4011 0.4011 0.7124 0.7124 0.8736 0.8736 0.9814 0.9814 1.0489 1.0489 1.2685 1.2685 1.3043 1.3043 1.3952 1.3952 1.4906 1.4906 1.5055 1.5055 1.5518 1.5518 9.4331 9.4331 9.5430 9.5430 9.9045 9.9045 12.8090 12.8090 13.0406 13.0406 13.9776 13.9776 k = 0.2636 0.4565 0.5355 ( 11878 PWs) bands (ev): -57.0170 -57.0170 -38.7729 -38.7729 -38.7661 -38.7661 -31.4092 -31.4092 -24.0319 -24.0319 -24.0172 -24.0172 -18.0915 -18.0915 -18.0526 -18.0526 -17.9720 -17.9720 -17.7013 -17.7013 -17.2789 -17.2789 -17.2295 -17.2295 -1.3241 -1.3241 -1.1514 -1.1514 -0.9543 -0.9543 -0.7176 -0.7176 -0.2808 -0.2808 -0.0436 -0.0436 0.2415 0.2415 0.4000 0.4000 0.7056 0.7056 0.8748 0.8748 0.9785 0.9785 1.0441 1.0441 1.2543 1.2543 1.2965 1.2965 1.3945 1.3945 1.4983 1.4983 1.5070 1.5070 1.5604 1.5604 9.4343 9.4343 9.5463 9.5463 9.9080 9.9080 12.8047 12.8047 13.0685 13.0685 13.8830 13.8830 k = 0.2558 0.4431 0.5355 ( 11870 PWs) bands (ev): -57.0170 -57.0170 -38.7733 -38.7733 -38.7657 -38.7657 -31.4092 -31.4092 -24.0320 -24.0320 -24.0168 -24.0168 -18.0914 -18.0914 -18.0492 -18.0492 -17.9771 -17.9771 -17.7011 -17.7011 -17.2802 -17.2802 -17.2275 -17.2275 -1.3256 -1.3256 -1.1372 -1.1372 -0.9427 -0.9427 -0.7325 -0.7325 -0.2657 -0.2657 -0.0416 -0.0416 0.2305 0.2305 0.3981 0.3981 0.6979 0.6979 0.8760 0.8760 0.9753 0.9753 1.0381 1.0381 1.2352 1.2352 1.2923 1.2923 1.3949 1.3949 1.5050 1.5050 1.5098 1.5098 1.5692 1.5692 9.4357 9.4357 9.5498 9.5498 9.9117 9.9117 12.8013 12.8013 13.0980 13.0980 13.7894 13.7894 k = 0.2481 0.4297 0.5355 ( 11860 PWs) bands (ev): -57.0170 -57.0170 -38.7737 -38.7737 -38.7653 -38.7653 -31.4091 -31.4091 -24.0320 -24.0320 -24.0165 -24.0165 -18.0909 -18.0909 -18.0457 -18.0457 -17.9827 -17.9827 -17.7008 -17.7008 -17.2816 -17.2816 -17.2254 -17.2254 -1.3252 -1.3252 -1.1224 -1.1224 -0.9306 -0.9306 -0.7460 -0.7460 -0.2570 -0.2570 -0.0351 -0.0351 0.2191 0.2191 0.3956 0.3956 0.6892 0.6892 0.8770 0.8770 0.9722 0.9722 1.0311 1.0311 1.2129 1.2129 1.2901 1.2901 1.3963 1.3963 1.5081 1.5081 1.5165 1.5165 1.5778 1.5778 9.4375 9.4375 9.5537 9.5537 9.9156 9.9156 12.7985 12.7985 13.1288 13.1288 13.6972 13.6972 k = 0.2403 0.4162 0.5355 ( 11868 PWs) bands (ev): -57.0170 -57.0170 -38.7741 -38.7741 -38.7649 -38.7649 -31.4091 -31.4091 -24.0321 -24.0321 -24.0161 -24.0161 -18.0902 -18.0902 -18.0422 -18.0422 -17.9889 -17.9889 -17.7005 -17.7005 -17.2828 -17.2828 -17.2234 -17.2234 -1.3229 -1.3229 -1.1071 -1.1071 -0.9179 -0.9179 -0.7580 -0.7580 -0.2550 -0.2550 -0.0242 -0.0242 0.2074 0.2074 0.3924 0.3924 0.6796 0.6796 0.8773 0.8773 0.9694 0.9694 1.0229 1.0229 1.1882 1.1882 1.2893 1.2893 1.3990 1.3990 1.5102 1.5102 1.5247 1.5247 1.5864 1.5864 9.4397 9.4397 9.5577 9.5577 9.9198 9.9198 12.7961 12.7961 13.1609 13.1609 13.6071 13.6071 k = 0.2326 0.4028 0.5355 ( 11860 PWs) bands (ev): -57.0170 -57.0170 -38.7745 -38.7745 -38.7645 -38.7645 -31.4091 -31.4091 -24.0321 -24.0321 -24.0157 -24.0157 -18.0891 -18.0891 -18.0386 -18.0386 -17.9954 -17.9954 -17.7003 -17.7003 -17.2841 -17.2841 -17.2214 -17.2214 -1.3186 -1.3186 -1.0912 -1.0912 -0.9046 -0.9046 -0.7685 -0.7685 -0.2587 -0.2587 -0.0101 -0.0101 0.1955 0.1955 0.3886 0.3886 0.6692 0.6692 0.8765 0.8765 0.9672 0.9672 1.0138 1.0138 1.1618 1.1618 1.2894 1.2894 1.4028 1.4028 1.5124 1.5124 1.5332 1.5332 1.5948 1.5948 9.4421 9.4421 9.5620 9.5620 9.9241 9.9241 12.7935 12.7935 13.1941 13.1941 13.5196 13.5196 k = 0.2248 0.3894 0.5355 ( 11860 PWs) bands (ev): -57.0170 -57.0170 -38.7749 -38.7749 -38.7641 -38.7641 -31.4090 -31.4090 -24.0322 -24.0322 -24.0153 -24.0153 -18.0877 -18.0877 -18.0350 -18.0350 -18.0023 -18.0023 -17.7002 -17.7002 -17.2853 -17.2853 -17.2194 -17.2194 -1.3124 -1.3124 -1.0747 -1.0747 -0.8907 -0.8907 -0.7776 -0.7776 -0.2669 -0.2669 0.0058 0.0058 0.1834 0.1834 0.3842 0.3842 0.6581 0.6581 0.8742 0.8742 0.9657 0.9657 1.0041 1.0041 1.1338 1.1338 1.2903 1.2903 1.4078 1.4078 1.5151 1.5151 1.5418 1.5418 1.6030 1.6030 9.4449 9.4449 9.5665 9.5665 9.9286 9.9286 12.7902 12.7902 13.2280 13.2280 13.4359 13.4359 k = 0.2171 0.3759 0.5355 ( 11848 PWs) bands (ev): -57.0170 -57.0170 -38.7753 -38.7753 -38.7637 -38.7637 -31.4090 -31.4090 -24.0322 -24.0322 -24.0149 -24.0149 -18.0860 -18.0860 -18.0313 -18.0313 -18.0095 -18.0095 -17.7002 -17.7002 -17.2866 -17.2866 -17.2174 -17.2174 -1.3042 -1.3042 -1.0577 -1.0577 -0.8764 -0.8764 -0.7851 -0.7851 -0.2785 -0.2785 0.0218 0.0218 0.1714 0.1714 0.3792 0.3792 0.6464 0.6464 0.8698 0.8698 0.9642 0.9642 0.9952 0.9952 1.1044 1.1044 1.2917 1.2917 1.4140 1.4140 1.5183 1.5183 1.5504 1.5504 1.6110 1.6110 9.4480 9.4480 9.5712 9.5712 9.9333 9.9333 12.7852 12.7852 13.2610 13.2610 13.3583 13.3583 k = 0.2093 0.3625 0.5355 ( 11848 PWs) bands (ev): -57.0170 -57.0170 -38.7757 -38.7757 -38.7633 -38.7633 -31.4090 -31.4090 -24.0322 -24.0322 -24.0144 -24.0144 -18.0841 -18.0841 -18.0277 -18.0277 -18.0169 -18.0169 -17.7003 -17.7003 -17.2878 -17.2878 -17.2153 -17.2153 -1.2940 -1.2940 -1.0402 -1.0402 -0.8615 -0.8615 -0.7911 -0.7911 -0.2925 -0.2925 0.0366 0.0366 0.1596 0.1596 0.3737 0.3737 0.6340 0.6340 0.8632 0.8632 0.9597 0.9597 0.9904 0.9904 1.0739 1.0739 1.2936 1.2936 1.4214 1.4214 1.5220 1.5220 1.5591 1.5591 1.6187 1.6187 9.4513 9.4513 9.5760 9.5760 9.9380 9.9380 12.7771 12.7771 13.2662 13.2662 13.3151 13.3151 k = 0.2016 0.3491 0.5355 ( 11852 PWs) bands (ev): -57.0170 -57.0170 -38.7761 -38.7761 -38.7629 -38.7629 -31.4089 -31.4089 -24.0323 -24.0323 -24.0139 -24.0139 -18.0821 -18.0821 -18.0244 -18.0244 -18.0239 -18.0239 -17.7006 -17.7006 -17.2890 -17.2890 -17.2133 -17.2133 -1.2818 -1.2818 -1.0222 -1.0222 -0.8461 -0.8461 -0.7956 -0.7956 -0.3080 -0.3080 0.0490 0.0490 0.1484 0.1484 0.3675 0.3675 0.6212 0.6212 0.8543 0.8543 0.9495 0.9495 0.9922 0.9922 1.0426 1.0426 1.2960 1.2960 1.4300 1.4300 1.5263 1.5263 1.5677 1.5677 1.6262 1.6262 9.4549 9.4549 9.5810 9.5810 9.9428 9.9428 12.7641 12.7641 13.2088 13.2088 13.3431 13.3431 k = 0.1938 0.3357 0.5355 ( 11850 PWs) bands (ev): -57.0170 -57.0170 -38.7764 -38.7764 -38.7625 -38.7625 -31.4089 -31.4089 -24.0323 -24.0323 -24.0134 -24.0134 -18.0800 -18.0800 -18.0317 -18.0317 -18.0202 -18.0202 -17.7010 -17.7010 -17.2903 -17.2903 -17.2112 -17.2112 -1.2675 -1.2675 -1.0037 -1.0037 -0.8303 -0.8303 -0.7985 -0.7985 -0.3247 -0.3247 0.0577 0.0577 0.1385 0.1385 0.3606 0.3606 0.6080 0.6080 0.8434 0.8434 0.9352 0.9352 0.9975 0.9975 1.0123 1.0123 1.2987 1.2987 1.4396 1.4396 1.5313 1.5313 1.5762 1.5762 1.6334 1.6334 9.4587 9.4587 9.5860 9.5860 9.9477 9.9477 12.7436 12.7436 13.1539 13.1539 13.3793 13.3793 k = 0.1860 0.3222 0.5355 ( 11846 PWs) bands (ev): -57.0170 -57.0170 -38.7768 -38.7768 -38.7622 -38.7622 -31.4089 -31.4089 -24.0323 -24.0323 -24.0129 -24.0129 -18.0783 -18.0783 -18.0385 -18.0385 -18.0165 -18.0165 -17.7017 -17.7017 -17.2916 -17.2916 -17.2092 -17.2092 -1.2513 -1.2513 -0.9849 -0.9849 -0.8141 -0.8141 -0.7996 -0.7996 -0.3421 -0.3421 0.0616 0.0616 0.1306 0.1306 0.3528 0.3528 0.5944 0.5944 0.8307 0.8307 0.9186 0.9186 0.9750 0.9750 1.0126 1.0126 1.3017 1.3017 1.4502 1.4502 1.5369 1.5369 1.5846 1.5846 1.6403 1.6403 9.4627 9.4627 9.5912 9.5912 9.9527 9.9527 12.7136 12.7136 13.1107 13.1107 13.4168 13.4168 k = 0.1783 0.3088 0.5355 ( 11846 PWs) bands (ev): -57.0170 -57.0170 -38.7772 -38.7772 -38.7618 -38.7618 -31.4088 -31.4088 -24.0324 -24.0324 -24.0124 -24.0124 -18.0775 -18.0775 -18.0441 -18.0441 -18.0128 -18.0128 -17.7026 -17.7026 -17.2929 -17.2929 -17.2071 -17.2071 -1.2331 -1.2331 -0.9658 -0.9658 -0.8001 -0.8001 -0.7966 -0.7966 -0.3598 -0.3598 0.0598 0.0598 0.1256 0.1256 0.3441 0.3441 0.5803 0.5803 0.8165 0.8165 0.9002 0.9002 0.9417 0.9417 1.0259 1.0259 1.3049 1.3049 1.4617 1.4617 1.5431 1.5431 1.5929 1.5929 1.6470 1.6470 9.4668 9.4668 9.5964 9.5964 9.9577 9.9577 12.6732 12.6732 13.0805 13.0805 13.4547 13.4547 k = 0.1705 0.2954 0.5355 ( 11846 PWs) bands (ev): -57.0170 -57.0170 -38.7775 -38.7775 -38.7615 -38.7615 -31.4088 -31.4088 -24.0324 -24.0324 -24.0118 -24.0118 -18.0785 -18.0785 -18.0477 -18.0477 -18.0092 -18.0092 -17.7038 -17.7038 -17.2942 -17.2942 -17.2050 -17.2050 -1.2130 -1.2130 -0.9465 -0.9465 -0.7973 -0.7973 -0.7801 -0.7801 -0.3777 -0.3777 0.0529 0.0529 0.1229 0.1229 0.3342 0.3342 0.5657 0.5657 0.8009 0.8009 0.8804 0.8804 0.9078 0.9078 1.0418 1.0418 1.3084 1.3084 1.4739 1.4739 1.5500 1.5500 1.6011 1.6011 1.6533 1.6533 9.4710 9.4710 9.6016 9.6016 9.9626 9.9626 12.6237 12.6237 13.0625 13.0625 13.4928 13.4928 k = 0.1628 0.2820 0.5355 ( 11850 PWs) bands (ev): -57.0170 -57.0170 -38.7779 -38.7779 -38.7611 -38.7611 -31.4087 -31.4087 -24.0324 -24.0324 -24.0113 -24.0113 -18.0820 -18.0820 -18.0485 -18.0485 -18.0056 -18.0056 -17.7053 -17.7053 -17.2955 -17.2955 -17.2030 -17.2030 -1.1910 -1.1910 -0.9272 -0.9272 -0.7933 -0.7933 -0.7628 -0.7628 -0.3956 -0.3956 0.0422 0.0422 0.1212 0.1212 0.3232 0.3232 0.5504 0.5504 0.7841 0.7841 0.8582 0.8582 0.8752 0.8752 1.0596 1.0596 1.3119 1.3119 1.4868 1.4868 1.5574 1.5574 1.6091 1.6091 1.6594 1.6594 9.4753 9.4753 9.6068 9.6068 9.9676 9.9676 12.5675 12.5675 13.0541 13.0541 13.5307 13.5307 k = 0.1550 0.2685 0.5355 ( 11846 PWs) bands (ev): -57.0170 -57.0170 -38.7782 -38.7782 -38.7608 -38.7608 -31.4087 -31.4087 -24.0325 -24.0325 -24.0107 -24.0107 -18.0875 -18.0875 -18.0469 -18.0469 -18.0020 -18.0020 -17.7070 -17.7070 -17.2968 -17.2968 -17.2009 -17.2009 -1.1671 -1.1671 -0.9080 -0.9080 -0.7874 -0.7874 -0.7452 -0.7452 -0.4131 -0.4131 0.0290 0.0290 0.1195 0.1195 0.3108 0.3108 0.5344 0.5344 0.7664 0.7664 0.8305 0.8305 0.8475 0.8475 1.0790 1.0790 1.3156 1.3156 1.5002 1.5002 1.5654 1.5654 1.6170 1.6170 1.6652 1.6652 9.4797 9.4797 9.6121 9.6121 9.9725 9.9725 12.5074 12.5074 13.0528 13.0528 13.5683 13.5683 k = 0.1473 0.2551 0.5355 ( 11854 PWs) bands (ev): -57.0170 -57.0170 -38.7786 -38.7786 -38.7604 -38.7604 -31.4087 -31.4087 -24.0325 -24.0325 -24.0102 -24.0102 -18.0943 -18.0943 -18.0437 -18.0437 -17.9985 -17.9985 -17.7090 -17.7090 -17.2981 -17.2981 -17.1989 -17.1989 -1.1414 -1.1414 -0.8891 -0.8891 -0.7794 -0.7794 -0.7275 -0.7275 -0.4302 -0.4302 0.0141 0.0141 0.1171 0.1171 0.2971 0.2971 0.5174 0.5174 0.7476 0.7476 0.7979 0.7979 0.8250 0.8250 1.0996 1.0996 1.3193 1.3193 1.5139 1.5139 1.5740 1.5740 1.6246 1.6246 1.6708 1.6708 9.4840 9.4840 9.6172 9.6172 9.9774 9.9774 12.4454 12.4454 13.0565 13.0565 13.6054 13.6054 k = 0.1395 0.2417 0.5355 ( 11850 PWs) bands (ev): -57.0170 -57.0170 -38.7789 -38.7789 -38.7601 -38.7601 -31.4086 -31.4086 -24.0325 -24.0325 -24.0096 -24.0096 -18.1016 -18.1016 -18.0396 -18.0396 -17.9951 -17.9951 -17.7113 -17.7113 -17.2995 -17.2995 -17.1969 -17.1969 -1.1140 -1.1140 -0.8708 -0.8708 -0.7691 -0.7691 -0.7097 -0.7097 -0.4467 -0.4467 -0.0019 -0.0019 0.1138 0.1138 0.2821 0.2821 0.4991 0.4991 0.7272 0.7272 0.7649 0.7649 0.8041 0.8041 1.1209 1.1209 1.3231 1.3231 1.5278 1.5278 1.5830 1.5830 1.6321 1.6321 1.6760 1.6760 9.4883 9.4883 9.6224 9.6224 9.9822 9.9822 12.3831 12.3831 13.0637 13.0637 13.6418 13.6418 k = 0.1318 0.2283 0.5355 ( 11858 PWs) bands (ev): -57.0170 -57.0170 -38.7792 -38.7792 -38.7598 -38.7598 -31.4086 -31.4086 -24.0325 -24.0325 -24.0091 -24.0091 -18.1090 -18.1090 -18.0349 -18.0349 -17.9918 -17.9918 -17.7139 -17.7139 -17.3008 -17.3008 -17.1950 -17.1950 -1.0849 -1.0849 -0.8533 -0.8533 -0.7566 -0.7566 -0.6920 -0.6920 -0.4622 -0.4622 -0.0189 -0.0189 0.1095 0.1095 0.2660 0.2660 0.4794 0.4794 0.7039 0.7039 0.7346 0.7346 0.7840 0.7840 1.1426 1.1426 1.3268 1.3268 1.5418 1.5418 1.5924 1.5924 1.6393 1.6393 1.6810 1.6810 9.4924 9.4924 9.6274 9.6274 9.9869 9.9869 12.3215 12.3215 13.0734 13.0734 13.6773 13.6773 k = 0.1240 0.2148 0.5355 ( 11854 PWs) bands (ev): -57.0170 -57.0170 -38.7795 -38.7795 -38.7595 -38.7595 -31.4085 -31.4085 -24.0326 -24.0326 -24.0085 -24.0085 -18.1165 -18.1165 -18.0298 -18.0298 -17.9886 -17.9886 -17.7168 -17.7168 -17.3020 -17.3020 -17.1930 -17.1930 -1.0542 -1.0542 -0.8366 -0.8366 -0.7417 -0.7417 -0.6747 -0.6747 -0.4766 -0.4766 -0.0368 -0.0368 0.1041 0.1041 0.2488 0.2488 0.4581 0.4581 0.6755 0.6755 0.7098 0.7098 0.7648 0.7648 1.1643 1.1643 1.3305 1.3305 1.5559 1.5559 1.6022 1.6022 1.6464 1.6464 1.6857 1.6857 9.4965 9.4965 9.6323 9.6323 9.9915 9.9915 12.2614 12.2614 13.0847 13.0847 13.7117 13.7117 k = 0.1163 0.2014 0.5355 ( 11854 PWs) bands (ev): -57.0170 -57.0170 -38.7797 -38.7797 -38.7593 -38.7593 -31.4085 -31.4085 -24.0326 -24.0326 -24.0080 -24.0080 -18.1238 -18.1238 -18.0244 -18.0244 -17.9855 -17.9855 -17.7199 -17.7199 -17.3033 -17.3033 -17.1912 -17.1912 -1.0220 -1.0220 -0.8209 -0.8209 -0.7247 -0.7247 -0.6580 -0.6580 -0.4894 -0.4894 -0.0554 -0.0554 0.0977 0.0977 0.2309 0.2309 0.4351 0.4351 0.6433 0.6433 0.6898 0.6898 0.7464 0.7464 1.1856 1.1856 1.3341 1.3341 1.5699 1.5699 1.6122 1.6122 1.6531 1.6531 1.6901 1.6901 9.5005 9.5005 9.6370 9.6370 9.9960 9.9960 12.2033 12.2033 13.0972 13.0972 13.7450 13.7450 k = 0.1085 0.1880 0.5355 ( 11858 PWs) bands (ev): -57.0170 -57.0170 -38.7800 -38.7800 -38.7590 -38.7590 -31.4084 -31.4084 -24.0326 -24.0326 -24.0075 -24.0075 -18.1309 -18.1309 -18.0188 -18.0188 -17.9825 -17.9825 -17.7232 -17.7232 -17.3045 -17.3045 -17.1894 -17.1894 -0.9885 -0.9885 -0.8059 -0.8059 -0.7058 -0.7058 -0.6425 -0.6425 -0.5001 -0.5001 -0.0747 -0.0747 0.0900 0.0900 0.2126 0.2126 0.4106 0.4106 0.6097 0.6097 0.6726 0.6726 0.7288 0.7288 1.2062 1.2062 1.3377 1.3377 1.5837 1.5837 1.6224 1.6224 1.6597 1.6597 1.6942 1.6942 9.5042 9.5042 9.6416 9.6416 10.0003 10.0003 12.1478 12.1478 13.1104 13.1104 13.7768 13.7768 k = 0.1008 0.1745 0.5355 ( 11872 PWs) bands (ev): -57.0170 -57.0170 -38.7802 -38.7802 -38.7588 -38.7588 -31.4084 -31.4084 -24.0327 -24.0327 -24.0070 -24.0070 -18.1377 -18.1377 -18.0131 -18.0131 -17.9797 -17.9797 -17.7268 -17.7268 -17.3057 -17.3057 -17.1877 -17.1877 -0.9537 -0.9537 -0.7915 -0.7915 -0.6855 -0.6855 -0.6288 -0.6288 -0.5078 -0.5078 -0.0948 -0.0948 0.0807 0.0807 0.1942 0.1942 0.3847 0.3847 0.5760 0.5760 0.6574 0.6574 0.7123 0.7123 1.2259 1.2259 1.3412 1.3412 1.5973 1.5973 1.6325 1.6325 1.6660 1.6660 1.6979 1.6979 9.5078 9.5078 9.6460 9.6460 10.0044 10.0044 12.0950 12.0950 13.1240 13.1240 13.8070 13.8070 k = 0.0930 0.1611 0.5355 ( 11884 PWs) bands (ev): -57.0171 -57.0171 -38.7805 -38.7805 -38.7586 -38.7586 -31.4084 -31.4084 -24.0327 -24.0327 -24.0065 -24.0065 -18.1442 -18.1442 -18.0073 -18.0073 -17.9770 -17.9770 -17.7305 -17.7305 -17.3068 -17.3068 -17.1860 -17.1860 -0.9178 -0.9178 -0.7775 -0.7775 -0.6646 -0.6646 -0.6176 -0.6176 -0.5116 -0.5116 -0.1155 -0.1155 0.0695 0.0695 0.1764 0.1764 0.3578 0.3578 0.5428 0.5428 0.6437 0.6437 0.6968 0.6968 1.2443 1.2443 1.3447 1.3447 1.6105 1.6105 1.6424 1.6424 1.6721 1.6721 1.7014 1.7014 9.5112 9.5112 9.6502 9.6502 10.0083 10.0083 12.0454 12.0454 13.1377 13.1377 13.8355 13.8355 k = 0.0853 0.1477 0.5355 ( 11892 PWs) bands (ev): -57.0171 -57.0171 -38.7807 -38.7807 -38.7583 -38.7583 -31.4083 -31.4083 -24.0328 -24.0328 -24.0060 -24.0060 -18.1503 -18.1503 -18.0015 -18.0015 -17.9745 -17.9745 -17.7344 -17.7344 -17.3078 -17.3078 -17.1845 -17.1845 -0.8810 -0.8810 -0.7639 -0.7639 -0.6444 -0.6444 -0.6087 -0.6087 -0.5104 -0.5104 -0.1370 -0.1370 0.0556 0.0556 0.1598 0.1598 0.3303 0.3303 0.5104 0.5104 0.6316 0.6316 0.6823 0.6823 1.2613 1.2613 1.3480 1.3480 1.6234 1.6234 1.6521 1.6521 1.6780 1.6780 1.7046 1.7046 9.5143 9.5143 9.6541 9.6541 10.0120 10.0120 11.9990 11.9990 13.1511 13.1511 13.8621 13.8621 k = 0.0775 0.1343 0.5355 ( 11896 PWs) bands (ev): -57.0171 -57.0171 -38.7809 -38.7809 -38.7582 -38.7582 -31.4083 -31.4083 -24.0328 -24.0328 -24.0056 -24.0056 -18.1560 -18.1560 -17.9958 -17.9958 -17.9722 -17.9722 -17.7383 -17.7383 -17.3088 -17.3088 -17.1830 -17.1830 -0.8436 -0.8436 -0.7506 -0.7506 -0.6289 -0.6289 -0.5981 -0.5981 -0.5045 -0.5045 -0.1591 -0.1591 0.0385 0.0385 0.1452 0.1452 0.3028 0.3028 0.4793 0.4793 0.6209 0.6209 0.6689 0.6689 1.2766 1.2766 1.3513 1.3513 1.6356 1.6356 1.6613 1.6613 1.6837 1.6837 1.7075 1.7075 9.5172 9.5172 9.6577 9.6577 10.0154 10.0154 11.9561 11.9561 13.1642 13.1642 13.8867 13.8867 k = 0.0698 0.1208 0.5355 ( 11890 PWs) bands (ev): -57.0171 -57.0171 -38.7811 -38.7811 -38.7580 -38.7580 -31.4083 -31.4083 -24.0328 -24.0328 -24.0052 -24.0052 -18.1612 -18.1612 -17.9902 -17.9902 -17.9701 -17.9701 -17.7422 -17.7422 -17.3097 -17.3097 -17.1817 -17.1817 -0.8061 -0.8061 -0.7375 -0.7375 -0.6225 -0.6225 -0.5806 -0.5806 -0.4948 -0.4948 -0.1819 -0.1819 0.0179 0.0179 0.1329 0.1329 0.2758 0.2758 0.4497 0.4497 0.6115 0.6115 0.6567 0.6567 1.2903 1.2903 1.3546 1.3546 1.6472 1.6472 1.6699 1.6699 1.6891 1.6891 1.7100 1.7100 9.5199 9.5199 9.6611 9.6611 10.0185 10.0185 11.9169 11.9169 13.1767 13.1767 13.9090 13.9090 k = 0.0620 0.1074 0.5355 ( 11882 PWs) bands (ev): -57.0171 -57.0171 -38.7812 -38.7812 -38.7578 -38.7578 -31.4082 -31.4082 -24.0328 -24.0328 -24.0048 -24.0048 -18.1659 -18.1659 -17.9848 -17.9848 -17.9681 -17.9681 -17.7460 -17.7460 -17.3106 -17.3106 -17.1805 -17.1805 -0.7694 -0.7694 -0.7247 -0.7247 -0.6211 -0.6211 -0.5585 -0.5585 -0.4829 -0.4829 -0.2054 -0.2054 -0.0061 -0.0061 0.1229 0.1229 0.2500 0.2500 0.4220 0.4220 0.6033 0.6033 0.6456 0.6456 1.3021 1.3021 1.3579 1.3579 1.6577 1.6577 1.6780 1.6780 1.6945 1.6945 1.7122 1.7122 9.5223 9.5223 9.6642 9.6642 10.0214 10.0214 11.8815 11.8815 13.1884 13.1884 13.9290 13.9290 k = 0.0543 0.0940 0.5355 ( 11874 PWs) bands (ev): -57.0171 -57.0171 -38.7814 -38.7814 -38.7577 -38.7577 -31.4082 -31.4082 -24.0329 -24.0329 -24.0044 -24.0044 -18.1702 -18.1702 -17.9798 -17.9798 -17.9664 -17.9664 -17.7497 -17.7497 -17.3113 -17.3113 -17.1794 -17.1794 -0.7354 -0.7354 -0.7117 -0.7117 -0.6196 -0.6196 -0.5347 -0.5347 -0.4701 -0.4701 -0.2297 -0.2297 -0.0329 -0.0329 0.1149 0.1149 0.2258 0.2258 0.3964 0.3964 0.5962 0.5962 0.6358 0.6358 1.3121 1.3121 1.3612 1.3612 1.6671 1.6671 1.6854 1.6854 1.6996 1.6996 1.7142 1.7142 9.5244 9.5244 9.6669 9.6669 10.0240 10.0240 11.8500 11.8500 13.1992 13.1992 13.9464 13.9464 k = 0.0465 0.0806 0.5355 ( 11870 PWs) bands (ev): -57.0171 -57.0171 -38.7815 -38.7815 -38.7575 -38.7575 -31.4082 -31.4082 -24.0329 -24.0329 -24.0041 -24.0041 -18.1739 -18.1739 -17.9751 -17.9751 -17.9649 -17.9649 -17.7532 -17.7532 -17.3119 -17.3119 -17.1784 -17.1784 -0.7101 -0.7101 -0.6960 -0.6960 -0.6135 -0.6135 -0.5107 -0.5107 -0.4571 -0.4571 -0.2548 -0.2548 -0.0617 -0.0617 0.1086 0.1086 0.2037 0.2037 0.3732 0.3732 0.5902 0.5902 0.6271 0.6271 1.3203 1.3203 1.3644 1.3644 1.6750 1.6750 1.6923 1.6923 1.7044 1.7044 1.7158 1.7158 9.5263 9.5263 9.6693 9.6693 10.0262 10.0262 11.8225 11.8225 13.2088 13.2088 13.9609 13.9609 k = 0.0388 0.0671 0.5355 ( 11858 PWs) bands (ev): -57.0171 -57.0171 -38.7816 -38.7816 -38.7574 -38.7574 -31.4082 -31.4082 -24.0329 -24.0329 -24.0039 -24.0039 -18.1771 -18.1771 -17.9710 -17.9710 -17.9636 -17.9636 -17.7564 -17.7564 -17.3125 -17.3125 -17.1776 -17.1776 -0.6965 -0.6965 -0.6800 -0.6800 -0.5971 -0.5971 -0.4871 -0.4871 -0.4444 -0.4444 -0.2808 -0.2808 -0.0917 -0.0917 0.1037 0.1037 0.1843 0.1843 0.3529 0.3529 0.5853 0.5853 0.6197 0.6197 1.3268 1.3268 1.3676 1.3676 1.6814 1.6814 1.6987 1.6987 1.7088 1.7088 1.7171 1.7171 9.5278 9.5278 9.6713 9.6713 10.0282 10.0282 11.7991 11.7991 13.2173 13.2173 13.9724 13.9724 k = 0.0310 0.0537 0.5355 ( 11842 PWs) bands (ev): -57.0171 -57.0171 -38.7817 -38.7817 -38.7573 -38.7573 -31.4082 -31.4082 -24.0329 -24.0329 -24.0037 -24.0037 -18.1797 -18.1797 -17.9674 -17.9674 -17.9625 -17.9625 -17.7591 -17.7591 -17.3130 -17.3130 -17.1769 -17.1769 -0.6872 -0.6872 -0.6718 -0.6718 -0.5699 -0.5699 -0.4650 -0.4650 -0.4321 -0.4321 -0.3078 -0.3078 -0.1215 -0.1215 0.1000 0.1000 0.1677 0.1677 0.3356 0.3356 0.5813 0.5813 0.6136 0.6136 1.3317 1.3317 1.3705 1.3705 1.6863 1.6863 1.7043 1.7043 1.7126 1.7126 1.7181 1.7181 9.5291 9.5291 9.6730 9.6730 10.0297 10.0297 11.7799 11.7799 13.2243 13.2243 13.9805 13.9805 k = 0.0233 0.0403 0.5355 ( 11822 PWs) bands (ev): -57.0171 -57.0171 -38.7818 -38.7818 -38.7573 -38.7573 -31.4082 -31.4082 -24.0330 -24.0330 -24.0035 -24.0035 -18.1817 -18.1817 -17.9645 -17.9645 -17.9617 -17.9617 -17.7614 -17.7614 -17.3133 -17.3133 -17.1764 -17.1764 -0.6801 -0.6801 -0.6689 -0.6689 -0.5367 -0.5367 -0.4464 -0.4464 -0.4197 -0.4197 -0.3359 -0.3359 -0.1496 -0.1496 0.0972 0.0972 0.1544 0.1544 0.3218 0.3218 0.5783 0.5783 0.6088 0.6088 1.3353 1.3353 1.3729 1.3729 1.6898 1.6898 1.7090 1.7090 1.7157 1.7157 1.7189 1.7189 9.5301 9.5301 9.6743 9.6743 10.0310 10.0310 11.7649 11.7649 13.2299 13.2299 13.9856 13.9856 k = 0.0155 0.0269 0.5355 ( 11826 PWs) bands (ev): -57.0171 -57.0171 -38.7818 -38.7818 -38.7572 -38.7572 -31.4081 -31.4081 -24.0330 -24.0330 -24.0034 -24.0034 -18.1832 -18.1832 -17.9623 -17.9623 -17.9611 -17.9611 -17.7631 -17.7631 -17.3136 -17.3136 -17.1760 -17.1760 -0.6754 -0.6754 -0.6679 -0.6679 -0.5017 -0.5017 -0.4338 -0.4338 -0.4067 -0.4067 -0.3652 -0.3652 -0.1739 -0.1739 0.0953 0.0953 0.1446 0.1446 0.3118 0.3118 0.5761 0.5761 0.6054 0.6054 1.3377 1.3377 1.3748 1.3748 1.6923 1.6923 1.7126 1.7126 1.7180 1.7180 1.7194 1.7194 9.5309 9.5309 9.6753 9.6753 10.0319 10.0319 11.7541 11.7541 13.2340 13.2340 13.9882 13.9882 k = 0.0078 0.0134 0.5355 ( 11822 PWs) bands (ev): -57.0171 -57.0171 -38.7818 -38.7818 -38.7572 -38.7572 -31.4081 -31.4081 -24.0330 -24.0330 -24.0033 -24.0033 -18.1841 -18.1841 -17.9610 -17.9610 -17.9607 -17.9607 -17.7641 -17.7641 -17.3137 -17.3137 -17.1758 -17.1758 -0.6730 -0.6730 -0.6671 -0.6671 -0.4670 -0.4670 -0.4277 -0.4277 -0.3979 -0.3979 -0.3928 -0.3928 -0.1910 -0.1910 0.0943 0.0943 0.1387 0.1387 0.3056 0.3056 0.5749 0.5749 0.6033 0.6033 1.3390 1.3390 1.3760 1.3760 1.6937 1.6937 1.7149 1.7149 1.7194 1.7194 1.7196 1.7196 9.5313 9.5313 9.6759 9.6759 10.0324 10.0324 11.7476 11.7476 13.2365 13.2365 13.9892 13.9892 k = 0.0000 0.0000 0.5355 ( 11812 PWs) bands (ev): -57.0171 -57.0171 -38.7818 -38.7818 -38.7572 -38.7572 -31.4081 -31.4081 -24.0330 -24.0330 -24.0033 -24.0033 -18.1844 -18.1844 -17.9606 -17.9606 -17.9606 -17.9606 -17.7645 -17.7645 -17.3138 -17.3138 -17.1757 -17.1757 -0.6724 -0.6724 -0.6667 -0.6667 -0.4364 -0.4364 -0.4360 -0.4360 -0.4144 -0.4144 -0.3907 -0.3907 -0.1973 -0.1973 0.0939 0.0939 0.1366 0.1366 0.3036 0.3036 0.5745 0.5745 0.6026 0.6026 1.3395 1.3395 1.3764 1.3764 1.6942 1.6942 1.7157 1.7157 1.7197 1.7197 1.7199 1.7199 9.5314 9.5314 9.6761 9.6761 10.0326 10.0326 11.7455 11.7455 13.2373 13.2373 13.9895 13.9895 k = 0.5000 0.2887 0.5355 ( 11852 PWs) bands (ev): -57.0170 -57.0170 -38.7736 -38.7736 -38.7654 -38.7654 -31.4091 -31.4091 -24.0329 -24.0329 -24.0157 -24.0157 -18.1050 -18.1050 -18.0386 -18.0386 -17.9661 -17.9661 -17.7108 -17.7108 -17.3007 -17.3007 -17.2056 -17.2056 -1.3439 -1.3439 -1.3302 -1.3302 -0.8271 -0.8271 -0.3664 -0.3664 -0.3592 -0.3592 0.0280 0.0280 0.0576 0.0576 0.3002 0.3002 0.7766 0.7766 0.8108 0.8108 0.9643 0.9643 1.0959 1.0959 1.1884 1.1884 1.2810 1.2810 1.4647 1.4647 1.4725 1.4725 1.5013 1.5013 1.5464 1.5464 9.4182 9.4182 9.5607 9.5607 9.9395 9.9395 12.8677 12.8677 13.1514 13.1514 13.9732 13.9732 k = 0.5000 0.2887 0.5198 ( 11860 PWs) bands (ev): -57.0170 -57.0170 -38.7736 -38.7736 -38.7654 -38.7654 -31.4091 -31.4091 -24.0329 -24.0329 -24.0157 -24.0157 -18.1048 -18.1048 -18.0387 -18.0387 -17.9664 -17.9664 -17.7106 -17.7106 -17.3006 -17.3006 -17.2058 -17.2058 -1.3430 -1.3430 -1.3293 -1.3293 -0.8279 -0.8279 -0.3813 -0.3813 -0.3447 -0.3447 0.0283 0.0283 0.0577 0.0577 0.3008 0.3008 0.7753 0.7753 0.8122 0.8122 0.9637 0.9637 1.0952 1.0952 1.1865 1.1865 1.2826 1.2826 1.4528 1.4528 1.4744 1.4744 1.5093 1.5093 1.5479 1.5479 9.4181 9.4181 9.5605 9.5605 9.9392 9.9392 12.8683 12.8683 13.1494 13.1494 13.9727 13.9727 k = 0.5000 0.2887 0.5040 ( 11864 PWs) bands (ev): -57.0170 -57.0170 -38.7736 -38.7736 -38.7654 -38.7654 -31.4091 -31.4091 -24.0328 -24.0328 -24.0157 -24.0157 -18.1040 -18.1040 -18.0392 -18.0392 -17.9674 -17.9674 -17.7099 -17.7099 -17.3002 -17.3002 -17.2063 -17.2063 -1.3404 -1.3404 -1.3266 -1.3266 -0.8304 -0.8304 -0.3994 -0.3994 -0.3277 -0.3277 0.0291 0.0291 0.0578 0.0578 0.3026 0.3026 0.7719 0.7719 0.8162 0.8162 0.9620 0.9620 1.0929 1.0929 1.1813 1.1813 1.2871 1.2871 1.4338 1.4338 1.4716 1.4716 1.5253 1.5253 1.5522 1.5522 9.4179 9.4179 9.5599 9.5599 9.9383 9.9383 12.8704 12.8704 13.1433 13.1433 13.9712 13.9712 k = 0.5000 0.2887 0.4883 ( 11862 PWs) bands (ev): -57.0170 -57.0170 -38.7736 -38.7736 -38.7654 -38.7654 -31.4091 -31.4091 -24.0327 -24.0327 -24.0158 -24.0158 -18.1028 -18.1028 -18.0399 -18.0399 -17.9689 -17.9689 -17.7087 -17.7087 -17.2996 -17.2996 -17.2072 -17.2072 -1.3360 -1.3360 -1.3222 -1.3222 -0.8346 -0.8346 -0.4177 -0.4177 -0.3111 -0.3111 0.0304 0.0304 0.0582 0.0582 0.3054 0.3054 0.7669 0.7669 0.8221 0.8221 0.9591 0.9591 1.0890 1.0890 1.1737 1.1737 1.2932 1.2932 1.4139 1.4139 1.4661 1.4661 1.5421 1.5421 1.5588 1.5588 9.4176 9.4176 9.5589 9.5589 9.9367 9.9367 12.8737 12.8737 13.1329 13.1329 13.9680 13.9680 k = 0.5000 0.2887 0.4725 ( 11862 PWs) bands (ev): -57.0170 -57.0170 -38.7736 -38.7736 -38.7654 -38.7654 -31.4091 -31.4091 -24.0326 -24.0326 -24.0158 -24.0158 -18.1010 -18.1010 -18.0411 -18.0411 -17.9708 -17.9708 -17.7073 -17.7073 -17.2987 -17.2987 -17.2083 -17.2083 -1.3298 -1.3298 -1.3161 -1.3161 -0.8404 -0.8404 -0.4358 -0.4358 -0.2951 -0.2951 0.0319 0.0319 0.0589 0.0589 0.3093 0.3093 0.7606 0.7606 0.8293 0.8293 0.9549 0.9549 1.0836 1.0836 1.1646 1.1646 1.2995 1.2995 1.3946 1.3946 1.4596 1.4596 1.5563 1.5563 1.5687 1.5687 9.4172 9.4172 9.5576 9.5576 9.9346 9.9346 12.8784 12.8784 13.1180 13.1180 13.9617 13.9617 k = 0.5000 0.2887 0.4568 ( 11866 PWs) bands (ev): -57.0170 -57.0170 -38.7736 -38.7736 -38.7654 -38.7654 -31.4091 -31.4091 -24.0324 -24.0324 -24.0159 -24.0159 -18.0988 -18.0988 -18.0430 -18.0430 -17.9727 -17.9727 -17.7056 -17.7056 -17.2976 -17.2976 -17.2098 -17.2098 -1.3219 -1.3219 -1.3082 -1.3082 -0.8478 -0.8478 -0.4537 -0.4537 -0.2798 -0.2798 0.0335 0.0335 0.0602 0.0602 0.3139 0.3139 0.7531 0.7531 0.8378 0.8378 0.9493 0.9493 1.0767 1.0767 1.1549 1.1549 1.3038 1.3038 1.3781 1.3781 1.4529 1.4529 1.5658 1.5658 1.5826 1.5826 9.4166 9.4166 9.5558 9.5558 9.9320 9.9320 12.8844 12.8844 13.0981 13.0981 13.9486 13.9486 k = 0.5000 0.2887 0.4410 ( 11850 PWs) bands (ev): -57.0170 -57.0170 -38.7736 -38.7736 -38.7654 -38.7654 -31.4091 -31.4091 -24.0321 -24.0321 -24.0160 -24.0160 -18.0961 -18.0961 -18.0455 -18.0455 -17.9744 -17.9744 -17.7038 -17.7038 -17.2964 -17.2964 -17.2115 -17.2115 -1.3123 -1.3123 -1.2987 -1.2987 -0.8568 -0.8568 -0.4710 -0.4710 -0.2652 -0.2652 0.0350 0.0350 0.0622 0.0622 0.3193 0.3193 0.7444 0.7444 0.8471 0.8471 0.9421 0.9421 1.0683 1.0683 1.1450 1.1450 1.3025 1.3025 1.3678 1.3678 1.4468 1.4468 1.5730 1.5730 1.5978 1.5978 9.4159 9.4159 9.5538 9.5538 9.9288 9.9288 12.8916 12.8916 13.0730 13.0730 13.9247 13.9247 k = 0.5000 0.2887 0.4253 ( 11852 PWs) bands (ev): -57.0170 -57.0170 -38.7736 -38.7736 -38.7654 -38.7654 -31.4091 -31.4091 -24.0319 -24.0319 -24.0162 -24.0162 -18.0930 -18.0930 -18.0490 -18.0490 -17.9758 -17.9758 -17.7019 -17.7019 -17.2950 -17.2950 -17.2134 -17.2134 -1.3010 -1.3010 -1.2875 -1.2875 -0.8672 -0.8672 -0.4877 -0.4877 -0.2514 -0.2514 0.0363 0.0363 0.0649 0.0649 0.3251 0.3251 0.7342 0.7342 0.8572 0.8572 0.9336 0.9336 1.0585 1.0585 1.1353 1.1353 1.2932 1.2932 1.3660 1.3660 1.4416 1.4416 1.5792 1.5792 1.6125 1.6125 9.4151 9.4151 9.5513 9.5513 9.9252 9.9252 12.8999 12.8999 13.0427 13.0427 13.8947 13.8947 k = 0.5000 0.2887 0.4095 ( 11858 PWs) bands (ev): -57.0170 -57.0170 -38.7736 -38.7736 -38.7654 -38.7654 -31.4091 -31.4091 -24.0316 -24.0316 -24.0163 -24.0163 -18.0894 -18.0894 -18.0534 -18.0534 -17.9764 -17.9764 -17.7002 -17.7002 -17.2935 -17.2935 -17.2153 -17.2153 -1.2881 -1.2881 -1.2747 -1.2747 -0.8789 -0.8789 -0.5036 -0.5036 -0.2384 -0.2384 0.0374 0.0374 0.0683 0.0683 0.3311 0.3311 0.7223 0.7223 0.8669 0.8669 0.9241 0.9241 1.0476 1.0476 1.1262 1.1262 1.2779 1.2779 1.3708 1.3708 1.4376 1.4376 1.5846 1.5846 1.6261 1.6261 9.4141 9.4141 9.5486 9.5486 9.9211 9.9211 12.9090 12.9090 13.0075 13.0075 13.8664 13.8664 k = 0.5000 0.2887 0.3938 ( 11858 PWs) bands (ev): -57.0170 -57.0170 -38.7736 -38.7736 -38.7654 -38.7654 -31.4090 -31.4090 -24.0313 -24.0313 -24.0165 -24.0165 -18.0855 -18.0855 -18.0587 -18.0587 -17.9764 -17.9764 -17.6987 -17.6987 -17.2921 -17.2921 -17.2173 -17.2173 -1.2735 -1.2735 -1.2605 -1.2605 -0.8917 -0.8917 -0.5186 -0.5186 -0.2261 -0.2261 0.0383 0.0383 0.0724 0.0724 0.3372 0.3372 0.7088 0.7088 0.8735 0.8735 0.9162 0.9162 1.0359 1.0359 1.1177 1.1177 1.2599 1.2599 1.3788 1.3788 1.4350 1.4350 1.5893 1.5893 1.6386 1.6386 9.4129 9.4129 9.5455 9.5455 9.9167 9.9167 12.9179 12.9179 12.9688 12.9688 13.8433 13.8433 k = 0.5000 0.2887 0.3780 ( 11856 PWs) bands (ev): -57.0170 -57.0170 -38.7736 -38.7736 -38.7654 -38.7654 -31.4090 -31.4090 -24.0309 -24.0309 -24.0166 -24.0166 -18.0813 -18.0813 -18.0648 -18.0648 -17.9755 -17.9755 -17.6975 -17.6975 -17.2908 -17.2908 -17.2192 -17.2192 -1.2574 -1.2574 -1.2449 -1.2449 -0.9055 -0.9055 -0.5327 -0.5327 -0.2145 -0.2145 0.0394 0.0394 0.0770 0.0770 0.3430 0.3430 0.6935 0.6935 0.8708 0.8708 0.9156 0.9156 1.0242 1.0242 1.1101 1.1101 1.2412 1.2412 1.3882 1.3882 1.4339 1.4339 1.5933 1.5933 1.6499 1.6499 9.4115 9.4115 9.5422 9.5422 9.9120 9.9120 12.9117 12.9117 12.9421 12.9421 13.8262 13.8262 k = 0.5000 0.2887 0.3623 ( 11860 PWs) bands (ev): -57.0170 -57.0170 -38.7736 -38.7736 -38.7654 -38.7654 -31.4090 -31.4090 -24.0306 -24.0306 -24.0168 -24.0168 -18.0778 -18.0778 -18.0705 -18.0705 -17.9739 -17.9739 -17.6966 -17.6966 -17.2898 -17.2898 -17.2208 -17.2208 -1.2397 -1.2397 -1.2281 -1.2281 -0.9198 -0.9198 -0.5459 -0.5459 -0.2037 -0.2037 0.0405 0.0405 0.0820 0.0820 0.3483 0.3483 0.6764 0.6764 0.8572 0.8572 0.9227 0.9227 1.0135 1.0135 1.1033 1.1033 1.2225 1.2225 1.3983 1.3983 1.4344 1.4344 1.5966 1.5966 1.6598 1.6598 9.4100 9.4100 9.5387 9.5387 9.9070 9.9070 12.8693 12.8693 12.9492 12.9492 13.8150 13.8150 k = 0.5000 0.2887 0.3465 ( 11858 PWs) bands (ev): -57.0170 -57.0170 -38.7736 -38.7736 -38.7654 -38.7654 -31.4090 -31.4090 -24.0302 -24.0302 -24.0169 -24.0169 -18.0813 -18.0813 -18.0694 -18.0694 -17.9717 -17.9717 -17.6962 -17.6962 -17.2893 -17.2893 -17.2221 -17.2221 -1.2205 -1.2205 -1.2104 -1.2104 -0.9344 -0.9344 -0.5582 -0.5582 -0.1937 -0.1937 0.0420 0.0420 0.0874 0.0874 0.3527 0.3527 0.6577 0.6577 0.8376 0.8376 0.9309 0.9309 1.0057 1.0057 1.0972 1.0972 1.2045 1.2045 1.4085 1.4085 1.4364 1.4364 1.5992 1.5992 1.6685 1.6685 9.4083 9.4083 9.5349 9.5349 9.9018 9.9018 12.8196 12.8196 12.9620 12.9620 13.8093 13.8093 k = 0.5000 0.2887 0.3308 ( 11864 PWs) bands (ev): -57.0170 -57.0170 -38.7736 -38.7736 -38.7654 -38.7654 -31.4089 -31.4089 -24.0298 -24.0298 -24.0171 -24.0171 -18.0889 -18.0889 -18.0643 -18.0643 -17.9689 -17.9689 -17.6962 -17.6962 -17.2893 -17.2893 -17.2228 -17.2228 -1.1999 -1.1999 -1.1921 -1.1921 -0.9487 -0.9487 -0.5695 -0.5695 -0.1844 -0.1844 0.0438 0.0438 0.0930 0.0930 0.3560 0.3560 0.6374 0.6374 0.8144 0.8144 0.9346 0.9346 1.0043 1.0043 1.0918 1.0918 1.1875 1.1875 1.4186 1.4186 1.4399 1.4399 1.6013 1.6013 1.6758 1.6758 9.4063 9.4063 9.5310 9.5310 9.8965 9.8965 12.7675 12.7675 12.9764 12.9764 13.8083 13.8083 k = 0.5000 0.2887 0.3150 ( 11872 PWs) bands (ev): -57.0170 -57.0170 -38.7736 -38.7736 -38.7654 -38.7654 -31.4089 -31.4089 -24.0295 -24.0295 -24.0172 -24.0172 -18.0972 -18.0972 -18.0586 -18.0586 -17.9656 -17.9656 -17.6967 -17.6967 -17.2900 -17.2900 -17.2228 -17.2228 -1.1779 -1.1779 -1.1737 -1.1737 -0.9620 -0.9620 -0.5800 -0.5800 -0.1759 -0.1759 0.0460 0.0460 0.0989 0.0989 0.3576 0.3576 0.6161 0.6161 0.7887 0.7887 0.9308 0.9308 1.0112 1.0112 1.0868 1.0868 1.1720 1.1720 1.4285 1.4285 1.4446 1.4446 1.6028 1.6028 1.6818 1.6818 9.4042 9.4042 9.5270 9.5270 9.8912 9.8912 12.7143 12.7143 12.9917 12.9917 13.8114 13.8114 k = 0.5000 0.2887 0.2993 ( 11864 PWs) bands (ev): -57.0170 -57.0170 -38.7736 -38.7736 -38.7654 -38.7654 -31.4089 -31.4089 -24.0291 -24.0291 -24.0174 -24.0174 -18.1058 -18.1058 -18.0524 -18.0524 -17.9619 -17.9619 -17.6977 -17.6977 -17.2916 -17.2916 -17.2221 -17.2221 -1.1572 -1.1572 -1.1537 -1.1537 -0.9731 -0.9731 -0.5897 -0.5897 -0.1682 -0.1682 0.0486 0.0486 0.1048 0.1048 0.3571 0.3571 0.5940 0.5940 0.7609 0.7609 0.9215 0.9215 1.0244 1.0244 1.0818 1.0818 1.1585 1.1585 1.4379 1.4379 1.4504 1.4504 1.6038 1.6038 1.6865 1.6865 9.4018 9.4018 9.5229 9.5229 9.8858 9.8858 12.6608 12.6608 13.0078 13.0078 13.8181 13.8181 k = 0.5000 0.2887 0.2835 ( 11852 PWs) bands (ev): -57.0170 -57.0170 -38.7736 -38.7736 -38.7654 -38.7654 -31.4088 -31.4088 -24.0287 -24.0287 -24.0175 -24.0175 -18.1144 -18.1144 -18.0459 -18.0459 -17.9578 -17.9578 -17.6993 -17.6993 -17.2939 -17.2939 -17.2206 -17.2206 -1.1422 -1.1422 -1.1293 -1.1293 -0.9806 -0.9806 -0.5986 -0.5986 -0.1611 -0.1611 0.0517 0.0517 0.1108 0.1108 0.3540 0.3540 0.5718 0.5718 0.7316 0.7316 0.9093 0.9093 1.0406 1.0406 1.0763 1.0763 1.1478 1.1478 1.4466 1.4466 1.4572 1.4572 1.6046 1.6046 1.6899 1.6899 9.3992 9.3992 9.5189 9.5189 9.8805 9.8805 12.6076 12.6076 13.0245 13.0245 13.8278 13.8278 k = 0.5000 0.2887 0.2678 ( 11848 PWs) bands (ev): -57.0170 -57.0170 -38.7736 -38.7736 -38.7654 -38.7654 -31.4088 -31.4088 -24.0284 -24.0284 -24.0176 -24.0176 -18.1230 -18.1230 -18.0391 -18.0391 -17.9535 -17.9535 -17.7013 -17.7013 -17.2969 -17.2969 -17.2185 -17.2185 -1.1319 -1.1319 -1.1035 -1.1035 -0.9823 -0.9823 -0.6068 -0.6068 -0.1548 -0.1548 0.0552 0.0552 0.1167 0.1167 0.3478 0.3478 0.5501 0.5501 0.7013 0.7013 0.8959 0.8959 1.0573 1.0573 1.0704 1.0704 1.1406 1.1406 1.4544 1.4544 1.4647 1.4647 1.6053 1.6053 1.6922 1.6922 9.3964 9.3964 9.5148 9.5148 9.8753 9.8753 12.5554 12.5554 13.0416 13.0416 13.8398 13.8398 k = 0.5000 0.2887 0.2520 ( 11860 PWs) bands (ev): -57.0170 -57.0170 -38.7736 -38.7736 -38.7654 -38.7654 -31.4088 -31.4088 -24.0281 -24.0281 -24.0176 -24.0176 -18.1315 -18.1315 -18.0322 -18.0322 -17.9490 -17.9490 -17.7039 -17.7039 -17.3006 -17.3006 -17.2158 -17.2158 -1.1278 -1.1278 -1.0765 -1.0765 -0.9764 -0.9764 -0.6143 -0.6143 -0.1492 -0.1492 0.0591 0.0591 0.1222 0.1222 0.3380 0.3380 0.5295 0.5295 0.6702 0.6702 0.8819 0.8819 1.0597 1.0597 1.0773 1.0773 1.1377 1.1377 1.4614 1.4614 1.4726 1.4726 1.6061 1.6061 1.6932 1.6932 9.3933 9.3933 9.5108 9.5108 9.8701 9.8701 12.5045 12.5045 13.0592 13.0592 13.8536 13.8536 k = 0.5000 0.2887 0.2363 ( 11850 PWs) bands (ev): -57.0171 -57.0171 -38.7736 -38.7736 -38.7654 -38.7654 -31.4087 -31.4087 -24.0278 -24.0278 -24.0177 -24.0177 -18.1398 -18.1398 -18.0250 -18.0250 -17.9443 -17.9443 -17.7068 -17.7068 -17.3047 -17.3047 -17.2127 -17.2127 -1.1300 -1.1300 -1.0484 -1.0484 -0.9631 -0.9631 -0.6212 -0.6212 -0.1442 -0.1442 0.0633 0.0633 0.1272 0.1272 0.3243 0.3243 0.5105 0.5105 0.6389 0.6389 0.8678 0.8678 1.0506 1.0506 1.0932 1.0932 1.1395 1.1395 1.4676 1.4676 1.4805 1.4805 1.6072 1.6072 1.6932 1.6932 9.3901 9.3901 9.5070 9.5070 9.8652 9.8652 12.4553 12.4553 13.0770 13.0770 13.8684 13.8684 k = 0.5000 0.2887 0.2205 ( 11868 PWs) bands (ev): -57.0171 -57.0171 -38.7736 -38.7736 -38.7654 -38.7654 -31.4087 -31.4087 -24.0276 -24.0276 -24.0177 -24.0177 -18.1478 -18.1478 -18.0178 -18.0178 -17.9396 -17.9396 -17.7102 -17.7102 -17.3092 -17.3092 -17.2094 -17.2094 -1.1368 -1.1368 -1.0194 -1.0194 -0.9437 -0.9437 -0.6273 -0.6273 -0.1399 -0.1399 0.0675 0.0675 0.1314 0.1314 0.3069 0.3069 0.4932 0.4932 0.6080 0.6080 0.8539 0.8539 1.0403 1.0403 1.1073 1.1073 1.1463 1.1463 1.4728 1.4728 1.4880 1.4880 1.6087 1.6087 1.6922 1.6922 9.3867 9.3867 9.5034 9.5034 9.8604 9.8604 12.4082 12.4082 13.0949 13.0949 13.8826 13.8826 k = 0.5000 0.2887 0.2048 ( 11866 PWs) bands (ev): -57.0171 -57.0171 -38.7736 -38.7736 -38.7654 -38.7654 -31.4087 -31.4087 -24.0274 -24.0274 -24.0176 -24.0176 -18.1555 -18.1555 -18.0105 -18.0105 -17.9347 -17.9347 -17.7140 -17.7140 -17.3139 -17.3139 -17.2058 -17.2058 -1.1463 -1.1463 -0.9897 -0.9897 -0.9204 -0.9204 -0.6328 -0.6328 -0.1363 -0.1363 0.0716 0.0716 0.1343 0.1343 0.2866 0.2866 0.4774 0.4774 0.5781 0.5781 0.8404 0.8404 1.0297 1.0297 1.1185 1.1185 1.1578 1.1578 1.4768 1.4768 1.4952 1.4952 1.6110 1.6110 1.6903 1.6903 9.3832 9.3832 9.4999 9.4999 9.8559 9.8559 12.3634 12.3634 13.1128 13.1128 13.8926 13.8926 k = 0.5000 0.2887 0.1890 ( 11868 PWs) bands (ev): -57.0171 -57.0171 -38.7736 -38.7736 -38.7654 -38.7654 -31.4086 -31.4086 -24.0272 -24.0272 -24.0176 -24.0176 -18.1628 -18.1628 -18.0032 -18.0032 -17.9299 -17.9299 -17.7181 -17.7181 -17.3187 -17.3187 -17.2022 -17.2022 -1.1573 -1.1573 -0.9593 -0.9593 -0.8946 -0.8946 -0.6374 -0.6374 -0.1334 -0.1334 0.0750 0.0750 0.1359 0.1359 0.2645 0.2645 0.4624 0.4624 0.5499 0.5499 0.8273 0.8273 1.0192 1.0192 1.1279 1.1279 1.1722 1.1722 1.4795 1.4795 1.5018 1.5018 1.6140 1.6140 1.6876 1.6876 9.3796 9.3796 9.4967 9.4967 9.8517 9.8517 12.3211 12.3211 13.1305 13.1305 13.8946 13.8946 k = 0.5000 0.2887 0.1733 ( 11866 PWs) bands (ev): -57.0171 -57.0171 -38.7736 -38.7736 -38.7654 -38.7654 -31.4086 -31.4086 -24.0271 -24.0271 -24.0175 -24.0175 -18.1696 -18.1696 -17.9959 -17.9959 -17.9252 -17.9252 -17.7224 -17.7224 -17.3235 -17.3235 -17.1986 -17.1986 -1.1688 -1.1688 -0.9285 -0.9285 -0.8676 -0.8676 -0.6412 -0.6412 -0.1313 -0.1313 0.0768 0.0768 0.1359 0.1359 0.2419 0.2419 0.4476 0.4476 0.5243 0.5243 0.8150 0.8150 1.0091 1.0091 1.1366 1.1366 1.1879 1.1879 1.4808 1.4808 1.5079 1.5079 1.6178 1.6178 1.6843 1.6843 9.3759 9.3759 9.4937 9.4937 9.8477 9.8477 12.2816 12.2816 13.1478 13.1478 13.8907 13.8907 k = 0.5000 0.2887 0.1575 ( 11888 PWs) bands (ev): -57.0171 -57.0171 -38.7736 -38.7736 -38.7654 -38.7654 -31.4086 -31.4086 -24.0270 -24.0270 -24.0174 -24.0174 -18.1760 -18.1760 -17.9887 -17.9887 -17.9206 -17.9206 -17.7270 -17.7270 -17.3282 -17.3282 -17.1951 -17.1951 -1.1801 -1.1801 -0.8974 -0.8974 -0.8401 -0.8401 -0.6439 -0.6439 -0.1302 -0.1302 0.0757 0.0757 0.1349 0.1349 0.2203 0.2203 0.4326 0.4326 0.5018 0.5018 0.8034 0.8034 0.9996 0.9996 1.1452 1.1452 1.2038 1.2038 1.4808 1.4808 1.5134 1.5134 1.6223 1.6223 1.6804 1.6804 9.3723 9.3723 9.4910 9.4910 9.8440 9.8440 12.2450 12.2450 13.1647 13.1647 13.8845 13.8845 k = 0.5000 0.2887 0.1418 ( 11892 PWs) bands (ev): -57.0171 -57.0171 -38.7736 -38.7736 -38.7654 -38.7654 -31.4086 -31.4086 -24.0269 -24.0269 -24.0173 -24.0173 -18.1819 -18.1819 -17.9818 -17.9818 -17.9162 -17.9162 -17.7316 -17.7316 -17.3328 -17.3328 -17.1918 -17.1918 -1.1910 -1.1910 -0.8664 -0.8664 -0.8133 -0.8133 -0.6453 -0.6453 -0.1302 -0.1302 0.0699 0.0699 0.1337 0.1337 0.2011 0.2011 0.4175 0.4175 0.4829 0.4829 0.7926 0.7926 0.9908 0.9908 1.1539 1.1539 1.2191 1.2191 1.4797 1.4797 1.5183 1.5183 1.6272 1.6272 1.6762 1.6762 9.3688 9.3688 9.4885 9.4885 9.8406 9.8406 12.2115 12.2115 13.1808 13.1808 13.8774 13.8774 k = 0.5000 0.2887 0.1260 ( 11888 PWs) bands (ev): -57.0171 -57.0171 -38.7736 -38.7736 -38.7654 -38.7654 -31.4085 -31.4085 -24.0269 -24.0269 -24.0171 -24.0171 -18.1872 -18.1872 -17.9751 -17.9751 -17.9121 -17.9121 -17.7362 -17.7362 -17.3371 -17.3371 -17.1887 -17.1887 -1.2011 -1.2011 -0.8358 -0.8358 -0.7880 -0.7880 -0.6447 -0.6447 -0.1317 -0.1317 0.0589 0.0589 0.1325 0.1325 0.1852 0.1852 0.4029 0.4029 0.4670 0.4670 0.7829 0.7829 0.9828 0.9828 1.1625 1.1625 1.2336 1.2336 1.4776 1.4776 1.5225 1.5225 1.6325 1.6325 1.6718 1.6718 9.3654 9.3654 9.4863 9.4863 9.8376 9.8376 12.1813 12.1813 13.1961 13.1961 13.8700 13.8700 k = 0.5000 0.2887 0.1103 ( 11892 PWs) bands (ev): -57.0171 -57.0171 -38.7736 -38.7736 -38.7654 -38.7654 -31.4085 -31.4085 -24.0269 -24.0269 -24.0170 -24.0170 -18.1920 -18.1920 -17.9688 -17.9688 -17.9082 -17.9082 -17.7408 -17.7408 -17.3412 -17.3412 -17.1858 -17.1858 -1.2104 -1.2104 -0.8060 -0.8060 -0.7654 -0.7654 -0.6417 -0.6417 -0.1349 -0.1349 0.0440 0.0440 0.1300 0.1300 0.1737 0.1737 0.3898 0.3898 0.4538 0.4538 0.7741 0.7741 0.9757 0.9757 1.1710 1.1710 1.2471 1.2471 1.4747 1.4747 1.5261 1.5261 1.6376 1.6376 1.6674 1.6674 9.3622 9.3622 9.4844 9.4844 9.8349 9.8349 12.1543 12.1543 13.2102 13.2102 13.8627 13.8627 k = 0.5000 0.2887 0.0945 ( 11886 PWs) bands (ev): -57.0171 -57.0171 -38.7736 -38.7736 -38.7654 -38.7654 -31.4085 -31.4085 -24.0269 -24.0269 -24.0169 -24.0169 -18.1962 -18.1962 -17.9630 -17.9630 -17.9047 -17.9047 -17.7451 -17.7451 -17.3448 -17.3448 -17.1833 -17.1833 -1.2186 -1.2186 -0.7776 -0.7776 -0.7469 -0.7469 -0.6354 -0.6354 -0.1401 -0.1401 0.0275 0.0275 0.1234 0.1234 0.1682 0.1682 0.3788 0.3788 0.4425 0.4425 0.7664 0.7664 0.9695 0.9695 1.1791 1.1791 1.2594 1.2594 1.4715 1.4715 1.5291 1.5291 1.6425 1.6425 1.6632 1.6632 9.3593 9.3593 9.4828 9.4828 9.8325 9.8325 12.1307 12.1307 13.2231 13.2231 13.8558 13.8558 k = 0.5000 0.2887 0.0788 ( 11882 PWs) bands (ev): -57.0171 -57.0171 -38.7736 -38.7736 -38.7654 -38.7654 -31.4085 -31.4085 -24.0269 -24.0269 -24.0167 -24.0167 -18.1998 -18.1998 -17.9579 -17.9579 -17.9016 -17.9016 -17.7491 -17.7491 -17.3480 -17.3480 -17.1811 -17.1811 -1.2257 -1.2257 -0.7512 -0.7512 -0.7331 -0.7331 -0.6259 -0.6259 -0.1472 -0.1472 0.0116 0.0116 0.1129 0.1129 0.1679 0.1679 0.3701 0.3701 0.4328 0.4328 0.7599 0.7599 0.9642 0.9642 1.1865 1.1865 1.2702 1.2702 1.4680 1.4680 1.5315 1.5315 1.6469 1.6469 1.6596 1.6596 9.3568 9.3568 9.4814 9.4814 9.8305 9.8305 12.1107 12.1107 13.2345 13.2345 13.8495 13.8495 k = 0.5000 0.2887 0.0630 ( 11886 PWs) bands (ev): -57.0171 -57.0171 -38.7736 -38.7736 -38.7654 -38.7654 -31.4085 -31.4085 -24.0269 -24.0269 -24.0166 -24.0166 -18.2027 -18.2027 -17.9534 -17.9534 -17.8989 -17.8989 -17.7526 -17.7526 -17.3507 -17.3507 -17.1792 -17.1792 -1.2316 -1.2316 -0.7285 -0.7285 -0.7231 -0.7231 -0.6141 -0.6141 -0.1559 -0.1559 -0.0022 -0.0022 0.1011 0.1011 0.1702 0.1702 0.3635 0.3635 0.4248 0.4248 0.7545 0.7545 0.9599 0.9599 1.1930 1.1930 1.2794 1.2794 1.4647 1.4647 1.5333 1.5333 1.6500 1.6500 1.6570 1.6570 9.3546 9.3546 9.4803 9.4803 9.8289 9.8289 12.0942 12.0942 13.2442 13.2442 13.8439 13.8439 k = 0.5000 0.2887 0.0473 ( 11886 PWs) bands (ev): -57.0171 -57.0171 -38.7736 -38.7736 -38.7654 -38.7654 -31.4085 -31.4085 -24.0269 -24.0269 -24.0165 -24.0165 -18.2051 -18.2051 -17.9498 -17.9498 -17.8968 -17.8968 -17.7555 -17.7555 -17.3528 -17.3528 -17.1778 -17.1778 -1.2362 -1.2362 -0.7193 -0.7193 -0.7068 -0.7068 -0.6019 -0.6019 -0.1651 -0.1651 -0.0131 -0.0131 0.0901 0.0901 0.1733 0.1733 0.3588 0.3588 0.4183 0.4183 0.7503 0.7503 0.9565 0.9565 1.1984 1.1984 1.2869 1.2869 1.4617 1.4617 1.5346 1.5346 1.6506 1.6506 1.6569 1.6569 9.3529 9.3529 9.4794 9.4794 9.8276 9.8276 12.0813 12.0813 13.2519 13.2519 13.8394 13.8394 k = 0.5000 0.2887 0.0315 ( 11886 PWs) bands (ev): -57.0171 -57.0171 -38.7736 -38.7736 -38.7654 -38.7654 -31.4085 -31.4085 -24.0269 -24.0269 -24.0165 -24.0165 -18.2067 -18.2067 -17.9471 -17.9471 -17.8952 -17.8952 -17.7577 -17.7577 -17.3544 -17.3544 -17.1767 -17.1767 -1.2395 -1.2395 -0.7160 -0.7160 -0.6917 -0.6917 -0.5915 -0.5915 -0.1734 -0.1734 -0.0209 -0.0209 0.0813 0.0813 0.1760 0.1760 0.3557 0.3557 0.4135 0.4135 0.7473 0.7473 0.9540 0.9540 1.2024 1.2024 1.2924 1.2924 1.4594 1.4594 1.5354 1.5354 1.6494 1.6494 1.6583 1.6583 9.3516 9.3516 9.4788 9.4788 9.8267 9.8267 12.0721 12.0721 13.2576 13.2576 13.8361 13.8361 k = 0.5000 0.2887 0.0158 ( 11878 PWs) bands (ev): -57.0171 -57.0171 -38.7736 -38.7736 -38.7654 -38.7654 -31.4085 -31.4085 -24.0269 -24.0269 -24.0164 -24.0164 -18.2077 -18.2077 -17.9455 -17.9455 -17.8943 -17.8943 -17.7591 -17.7591 -17.3553 -17.3553 -17.1761 -17.1761 -1.2415 -1.2415 -0.7144 -0.7144 -0.6822 -0.6822 -0.5845 -0.5845 -0.1792 -0.1792 -0.0256 -0.0256 0.0758 0.0758 0.1779 0.1779 0.3539 0.3539 0.4106 0.4106 0.7455 0.7455 0.9526 0.9526 1.2049 1.2049 1.2958 1.2958 1.4579 1.4579 1.5359 1.5359 1.6484 1.6484 1.6595 1.6595 9.3509 9.3509 9.4784 9.4784 9.8261 9.8261 12.0665 12.0665 13.2610 13.2610 13.8340 13.8340 k = 0.5000 0.2887-0.0000 ( 11870 PWs) bands (ev): -57.0171 -57.0171 -38.7736 -38.7736 -38.7654 -38.7654 -31.4085 -31.4085 -24.0269 -24.0269 -24.0164 -24.0164 -18.2080 -18.2080 -17.9449 -17.9449 -17.8939 -17.8939 -17.7596 -17.7596 -17.3556 -17.3556 -17.1759 -17.1759 -1.2422 -1.2422 -0.7139 -0.7139 -0.6789 -0.6789 -0.5820 -0.5820 -0.1813 -0.1813 -0.0272 -0.0272 0.0739 0.0739 0.1785 0.1785 0.3533 0.3533 0.4096 0.4096 0.7449 0.7449 0.9521 0.9521 1.2057 1.2057 1.2969 1.2969 1.4574 1.4574 1.5360 1.5360 1.6480 1.6480 1.6600 1.6600 9.3506 9.3506 9.4783 9.4783 9.8259 9.8259 12.0647 12.0647 13.2622 13.2622 13.8333 13.8333 k = 0.3333 0.5774-0.0000 ( 11829 PWs) bands (ev): -57.0171 -57.0171 -38.7695 -38.7695 -38.7695 -38.7695 -31.4086 -31.4086 -24.0255 -24.0255 -24.0199 -24.0199 -18.1416 -18.1416 -17.9539 -17.9539 -17.9439 -17.9439 -17.7458 -17.7458 -17.3774 -17.3774 -17.1753 -17.1753 -0.8740 -0.8740 -0.8674 -0.8674 -0.7924 -0.7924 -0.4096 -0.4096 -0.3458 -0.3458 -0.3389 -0.3389 0.0798 0.0798 0.2822 0.2822 0.4390 0.4390 0.6199 0.6199 0.6368 0.6368 1.0343 1.0343 1.0575 1.0575 1.0838 1.0838 1.4756 1.4756 1.6464 1.6464 1.6768 1.6768 1.6774 1.6774 9.3796 9.3796 9.4226 9.4226 9.7757 9.7757 12.7656 12.7656 13.1344 13.1344 13.2249 13.2249 k = 0.3333 0.5774 0.0158 ( 11841 PWs) bands (ev): -57.0171 -57.0171 -38.7695 -38.7695 -38.7695 -38.7695 -31.4086 -31.4086 -24.0255 -24.0255 -24.0200 -24.0200 -18.1391 -18.1391 -17.9489 -17.9489 -17.9406 -17.9406 -17.7508 -17.7508 -17.3811 -17.3811 -17.1784 -17.1784 -0.8463 -0.8463 -0.8396 -0.8396 -0.7637 -0.7637 -0.4220 -0.4220 -0.3376 -0.3376 -0.3367 -0.3367 0.0659 0.0659 0.2614 0.2614 0.4138 0.4138 0.5988 0.5988 0.6172 0.6172 1.0352 1.0352 1.0530 1.0530 1.0781 1.0781 1.4842 1.4842 1.6465 1.6465 1.6790 1.6790 1.6802 1.6802 9.3791 9.3791 9.4223 9.4223 9.7751 9.7751 12.7722 12.7722 13.1835 13.1835 13.2749 13.2749 k = 0.3333 0.5774 0.0315 ( 11853 PWs) bands (ev): -57.0171 -57.0171 -38.7695 -38.7695 -38.7695 -38.7695 -31.4086 -31.4086 -24.0255 -24.0255 -24.0201 -24.0201 -18.1359 -18.1359 -17.9446 -17.9446 -17.9380 -17.9380 -17.7551 -17.7551 -17.3841 -17.3841 -17.1820 -17.1820 -0.8189 -0.8189 -0.8123 -0.8123 -0.7349 -0.7349 -0.4332 -0.4332 -0.3392 -0.3392 -0.3329 -0.3329 0.0574 0.0574 0.2453 0.2453 0.3890 0.3890 0.5767 0.5767 0.5966 0.5966 1.0366 1.0366 1.0494 1.0494 1.0733 1.0733 1.4913 1.4913 1.6458 1.6458 1.6807 1.6807 1.6837 1.6837 9.3794 9.3794 9.4221 9.4221 9.7748 9.7748 12.7821 12.7821 13.2337 13.2337 13.3254 13.3254 k = 0.3333 0.5774 0.0473 ( 11856 PWs) bands (ev): -57.0171 -57.0171 -38.7695 -38.7695 -38.7695 -38.7695 -31.4086 -31.4086 -24.0255 -24.0255 -24.0203 -24.0203 -18.1322 -18.1322 -17.9411 -17.9411 -17.9362 -17.9362 -17.7589 -17.7589 -17.3863 -17.3863 -17.1860 -17.1860 -0.7920 -0.7920 -0.7857 -0.7857 -0.7062 -0.7062 -0.4430 -0.4430 -0.3471 -0.3471 -0.3323 -0.3323 0.0546 0.0546 0.2346 0.2346 0.3651 0.3651 0.5538 0.5538 0.5752 0.5752 1.0382 1.0382 1.0471 1.0471 1.0693 1.0693 1.4969 1.4969 1.6443 1.6443 1.6827 1.6827 1.6872 1.6872 9.3804 9.3804 9.4220 9.4220 9.7749 9.7749 12.7953 12.7953 13.2846 13.2846 13.3761 13.3761 k = 0.3333 0.5774 0.0630 ( 11844 PWs) bands (ev): -57.0171 -57.0171 -38.7695 -38.7695 -38.7695 -38.7695 -31.4086 -31.4086 -24.0254 -24.0254 -24.0206 -24.0206 -18.1278 -18.1278 -17.9386 -17.9386 -17.9352 -17.9352 -17.7618 -17.7618 -17.3877 -17.3877 -17.1903 -17.1903 -0.7660 -0.7660 -0.7600 -0.7600 -0.6781 -0.6781 -0.4514 -0.4514 -0.3601 -0.3601 -0.3362 -0.3362 0.0571 0.0571 0.2300 0.2300 0.3429 0.3429 0.5304 0.5304 0.5532 0.5532 1.0395 1.0395 1.0466 1.0466 1.0664 1.0664 1.5008 1.5008 1.6419 1.6419 1.6849 1.6849 1.6907 1.6907 9.3821 9.3821 9.4218 9.4218 9.7753 9.7753 12.8118 12.8118 13.3359 13.3359 13.4264 13.4264 k = 0.3333 0.5774 0.0788 ( 11850 PWs) bands (ev): -57.0171 -57.0171 -38.7695 -38.7695 -38.7695 -38.7695 -31.4086 -31.4086 -24.0253 -24.0253 -24.0208 -24.0208 -18.1229 -18.1229 -17.9371 -17.9371 -17.9350 -17.9350 -17.7639 -17.7639 -17.3883 -17.3883 -17.1949 -17.1949 -0.7410 -0.7410 -0.7358 -0.7358 -0.6510 -0.6510 -0.4582 -0.4582 -0.3773 -0.3773 -0.3446 -0.3446 0.0639 0.0639 0.2317 0.2317 0.3232 0.3232 0.5066 0.5066 0.5308 0.5308 1.0399 1.0399 1.0485 1.0485 1.0643 1.0643 1.5031 1.5031 1.6387 1.6387 1.6871 1.6871 1.6940 1.6940 9.3845 9.3845 9.4217 9.4217 9.7762 9.7762 12.8315 12.8315 13.3874 13.3874 13.4760 13.4760 k = 0.3333 0.5774 0.0945 ( 11856 PWs) bands (ev): -57.0171 -57.0171 -38.7695 -38.7695 -38.7695 -38.7695 -31.4086 -31.4086 -24.0252 -24.0252 -24.0212 -24.0212 -18.1174 -18.1174 -17.9367 -17.9367 -17.9356 -17.9356 -17.7650 -17.7650 -17.3881 -17.3881 -17.1998 -17.1998 -0.7177 -0.7177 -0.7133 -0.7133 -0.6256 -0.6256 -0.4632 -0.4632 -0.3976 -0.3976 -0.3570 -0.3570 0.0733 0.0733 0.2395 0.2395 0.3071 0.3071 0.4827 0.4827 0.5083 0.5083 1.0404 1.0404 1.0520 1.0520 1.0633 1.0633 1.5035 1.5035 1.6346 1.6346 1.6893 1.6893 1.6970 1.6970 9.3875 9.3875 9.4217 9.4217 9.7774 9.7774 12.8543 12.8543 13.4384 13.4384 13.5239 13.5239 k = 0.3333 0.5774 0.1103 ( 11847 PWs) bands (ev): -57.0171 -57.0171 -38.7695 -38.7695 -38.7695 -38.7695 -31.4087 -31.4087 -24.0250 -24.0250 -24.0215 -24.0215 -18.1114 -18.1114 -17.9375 -17.9375 -17.9370 -17.9370 -17.7652 -17.7652 -17.3870 -17.3870 -17.2050 -17.2050 -0.6967 -0.6967 -0.6933 -0.6933 -0.6027 -0.6027 -0.4664 -0.4664 -0.4190 -0.4190 -0.3726 -0.3726 0.0835 0.0835 0.2529 0.2529 0.2961 0.2961 0.4588 0.4588 0.4857 0.4857 1.0414 1.0414 1.0565 1.0565 1.0632 1.0632 1.5022 1.5022 1.6298 1.6298 1.6913 1.6913 1.6998 1.6998 9.3911 9.3911 9.4217 9.4217 9.7790 9.7790 12.8802 12.8802 13.4885 13.4885 13.5694 13.5694 k = 0.3333 0.5774 0.1260 ( 11847 PWs) bands (ev): -57.0171 -57.0171 -38.7695 -38.7695 -38.7695 -38.7695 -31.4087 -31.4087 -24.0249 -24.0249 -24.0219 -24.0219 -18.1048 -18.1048 -17.9394 -17.9394 -17.9392 -17.9392 -17.7645 -17.7645 -17.3852 -17.3852 -17.2104 -17.2104 -0.6793 -0.6793 -0.6765 -0.6765 -0.5835 -0.5835 -0.4687 -0.4687 -0.4383 -0.4383 -0.3899 -0.3899 0.0925 0.0925 0.2712 0.2712 0.2919 0.2919 0.4354 0.4354 0.4636 0.4636 1.0434 1.0434 1.0617 1.0617 1.0641 1.0641 1.4991 1.4991 1.6242 1.6242 1.6931 1.6931 1.7021 1.7021 9.3953 9.3953 9.4217 9.4217 9.7810 9.7810 12.9092 12.9092 13.5369 13.5369 13.6112 13.6112 k = 0.3333 0.5774 0.1418 ( 11832 PWs) bands (ev): -57.0171 -57.0171 -38.7695 -38.7695 -38.7695 -38.7695 -31.4087 -31.4087 -24.0247 -24.0247 -24.0224 -24.0224 -18.0978 -18.0978 -17.9423 -17.9423 -17.9422 -17.9422 -17.7630 -17.7630 -17.3825 -17.3825 -17.2159 -17.2159 -0.6671 -0.6671 -0.6641 -0.6641 -0.5692 -0.5692 -0.4746 -0.4746 -0.4477 -0.4477 -0.4072 -0.4072 0.0989 0.0989 0.2936 0.2936 0.2957 0.2957 0.4126 0.4126 0.4421 0.4421 1.0462 1.0462 1.0661 1.0661 1.0675 1.0675 1.4941 1.4941 1.6180 1.6180 1.6945 1.6945 1.7040 1.7040 9.4000 9.4000 9.4217 9.4217 9.7833 9.7833 12.9412 12.9412 13.5824 13.5824 13.6477 13.6477 k = 0.3333 0.5774 0.1575 ( 11838 PWs) bands (ev): -57.0171 -57.0171 -38.7695 -38.7695 -38.7695 -38.7695 -31.4087 -31.4087 -24.0245 -24.0245 -24.0228 -24.0228 -18.0904 -18.0904 -17.9461 -17.9461 -17.9458 -17.9458 -17.7608 -17.7608 -17.3792 -17.3792 -17.2216 -17.2216 -0.6626 -0.6626 -0.6575 -0.6575 -0.5604 -0.5604 -0.4847 -0.4847 -0.4440 -0.4440 -0.4226 -0.4226 0.1025 0.1025 0.3075 0.3075 0.3189 0.3189 0.3908 0.3908 0.4220 0.4220 1.0502 1.0502 1.0691 1.0691 1.0739 1.0739 1.4873 1.4873 1.6110 1.6110 1.6955 1.6955 1.7054 1.7054 9.4052 9.4052 9.4219 9.4219 9.7861 9.7861 12.9761 12.9761 13.6236 13.6236 13.6771 13.6771 k = 0.3333 0.5774 0.1733 ( 11838 PWs) bands (ev): -57.0171 -57.0171 -38.7695 -38.7695 -38.7695 -38.7695 -31.4088 -31.4088 -24.0242 -24.0242 -24.0233 -24.0233 -18.0825 -18.0825 -17.9507 -17.9507 -17.9501 -17.9501 -17.7580 -17.7580 -17.3752 -17.3752 -17.2274 -17.2274 -0.6679 -0.6679 -0.6581 -0.6581 -0.5568 -0.5568 -0.4906 -0.4906 -0.4341 -0.4341 -0.4339 -0.4339 0.1044 0.1044 0.3261 0.3261 0.3444 0.3444 0.3706 0.3706 0.4054 0.4054 1.0551 1.0551 1.0732 1.0732 1.0810 1.0810 1.4787 1.4787 1.6035 1.6035 1.6960 1.6960 1.7061 1.7061 9.4109 9.4109 9.4220 9.4220 9.7893 9.7893 13.0139 13.0139 13.6584 13.6584 13.6975 13.6975 k = 0.3333 0.5774 0.1890 ( 11850 PWs) bands (ev): -57.0171 -57.0171 -38.7695 -38.7695 -38.7695 -38.7695 -31.4088 -31.4088 -24.0240 -24.0240 -24.0238 -24.0238 -18.0743 -18.0743 -17.9560 -17.9560 -17.9549 -17.9549 -17.7548 -17.7548 -17.3705 -17.3705 -17.2332 -17.2332 -0.6828 -0.6828 -0.6668 -0.6668 -0.5578 -0.5578 -0.4897 -0.4897 -0.4407 -0.4407 -0.4213 -0.4213 0.1060 0.1060 0.3450 0.3450 0.3572 0.3572 0.3591 0.3591 0.4032 0.4032 1.0612 1.0612 1.0783 1.0783 1.0886 1.0886 1.4682 1.4682 1.5953 1.5953 1.6959 1.6959 1.7063 1.7063 9.4168 9.4168 9.4222 9.4222 9.7929 9.7929 13.0546 13.0546 13.6844 13.6844 13.7074 13.7074 k = 0.3333 0.5774 0.2048 ( 11850 PWs) bands (ev): -57.0171 -57.0171 -38.7695 -38.7695 -38.7695 -38.7695 -31.4088 -31.4088 -24.0243 -24.0243 -24.0237 -24.0237 -18.0658 -18.0658 -17.9618 -17.9618 -17.9603 -17.9603 -17.7514 -17.7514 -17.3654 -17.3654 -17.2389 -17.2389 -0.7052 -0.7052 -0.6831 -0.6831 -0.5626 -0.5626 -0.4835 -0.4835 -0.4424 -0.4424 -0.4079 -0.4079 0.1087 0.1087 0.3337 0.3337 0.3513 0.3513 0.3803 0.3803 0.4266 0.4266 1.0683 1.0683 1.0845 1.0845 1.0967 1.0967 1.4559 1.4559 1.5866 1.5866 1.6951 1.6951 1.7057 1.7057 9.4225 9.4225 9.4231 9.4231 9.7968 9.7968 13.0980 13.0980 13.6991 13.6991 13.7062 13.7062 k = 0.3333 0.5774 0.2205 ( 11856 PWs) bands (ev): -57.0170 -57.0170 -38.7695 -38.7695 -38.7695 -38.7695 -31.4088 -31.4088 -24.0249 -24.0249 -24.0234 -24.0234 -18.0570 -18.0570 -17.9680 -17.9680 -17.9661 -17.9661 -17.7479 -17.7479 -17.3597 -17.3597 -17.2446 -17.2446 -0.7322 -0.7322 -0.7054 -0.7054 -0.5708 -0.5708 -0.4743 -0.4743 -0.4405 -0.4405 -0.3943 -0.3943 0.1129 0.1129 0.3207 0.3207 0.3370 0.3370 0.4108 0.4108 0.4595 0.4595 1.0765 1.0765 1.0918 1.0918 1.1054 1.1054 1.4417 1.4417 1.5774 1.5774 1.6936 1.6936 1.7044 1.7044 9.4228 9.4228 9.4296 9.4296 9.8011 9.8011 13.1442 13.1442 13.6944 13.6944 13.7010 13.7010 k = 0.3333 0.5774 0.2363 ( 11871 PWs) bands (ev): -57.0170 -57.0170 -38.7695 -38.7695 -38.7695 -38.7695 -31.4089 -31.4089 -24.0254 -24.0254 -24.0231 -24.0231 -18.0480 -18.0480 -17.9744 -17.9744 -17.9723 -17.9723 -17.7443 -17.7443 -17.3537 -17.3537 -17.2501 -17.2501 -0.7620 -0.7620 -0.7321 -0.7321 -0.5820 -0.5820 -0.4640 -0.4640 -0.4365 -0.4365 -0.3810 -0.3810 0.1184 0.1184 0.3113 0.3113 0.3228 0.3228 0.4435 0.4435 0.4952 0.4952 1.0858 1.0858 1.1002 1.1002 1.1146 1.1146 1.4258 1.4258 1.5676 1.5676 1.6914 1.6914 1.7023 1.7023 9.4232 9.4232 9.4363 9.4363 9.8057 9.8057 13.1930 13.1930 13.6737 13.6737 13.6905 13.6905 k = 0.3333 0.5774 0.2520 ( 11865 PWs) bands (ev): -57.0170 -57.0170 -38.7695 -38.7695 -38.7695 -38.7695 -31.4089 -31.4089 -24.0260 -24.0260 -24.0228 -24.0228 -18.0389 -18.0389 -17.9811 -17.9811 -17.9788 -17.9788 -17.7408 -17.7408 -17.3473 -17.3473 -17.2553 -17.2553 -0.7933 -0.7933 -0.7617 -0.7617 -0.5962 -0.5962 -0.4537 -0.4537 -0.4319 -0.4319 -0.3679 -0.3679 0.1248 0.1248 0.3065 0.3065 0.3098 0.3098 0.4774 0.4774 0.5322 0.5322 1.0962 1.0962 1.1096 1.1096 1.1244 1.1244 1.4081 1.4081 1.5574 1.5574 1.6884 1.6884 1.6993 1.6993 9.4236 9.4236 9.4431 9.4431 9.8107 9.8107 13.2444 13.2444 13.6457 13.6457 13.6694 13.6694 k = 0.3333 0.5774 0.2678 ( 11853 PWs) bands (ev): -57.0170 -57.0170 -38.7695 -38.7695 -38.7695 -38.7695 -31.4089 -31.4089 -24.0265 -24.0265 -24.0225 -24.0225 -18.0298 -18.0298 -17.9878 -17.9878 -17.9855 -17.9855 -17.7375 -17.7375 -17.3406 -17.3406 -17.2603 -17.2603 -0.8253 -0.8253 -0.7930 -0.7930 -0.6130 -0.6130 -0.4443 -0.4443 -0.4276 -0.4276 -0.3548 -0.3548 0.1311 0.1311 0.2987 0.2987 0.3074 0.3074 0.5121 0.5121 0.5700 0.5700 1.1076 1.1076 1.1200 1.1200 1.1347 1.1347 1.3887 1.3887 1.5467 1.5467 1.6846 1.6846 1.6956 1.6956 9.4240 9.4240 9.4500 9.4500 9.8159 9.8159 13.2984 13.2984 13.6121 13.6121 13.6403 13.6403 k = 0.3333 0.5774 0.2835 ( 11868 PWs) bands (ev): -57.0170 -57.0170 -38.7695 -38.7695 -38.7695 -38.7695 -31.4090 -31.4090 -24.0270 -24.0270 -24.0222 -24.0222 -18.0209 -18.0209 -17.9943 -17.9943 -17.9923 -17.9923 -17.7345 -17.7345 -17.3338 -17.3338 -17.2650 -17.2650 -0.8575 -0.8575 -0.8253 -0.8253 -0.6322 -0.6322 -0.4363 -0.4363 -0.4241 -0.4241 -0.3414 -0.3414 0.1367 0.1367 0.2895 0.2895 0.3144 0.3144 0.5471 0.5471 0.6081 0.6081 1.1200 1.1200 1.1315 1.1315 1.1455 1.1455 1.3676 1.3676 1.5356 1.5356 1.6800 1.6800 1.6909 1.6909 9.4245 9.4245 9.4569 9.4569 9.8213 9.8213 13.3549 13.3549 13.5742 13.5742 13.6051 13.6051 k = 0.3333 0.5774 0.2993 ( 11865 PWs) bands (ev): -57.0170 -57.0170 -38.7695 -38.7695 -38.7695 -38.7695 -31.4090 -31.4090 -24.0276 -24.0276 -24.0218 -24.0218 -18.0131 -18.0131 -17.9998 -17.9998 -17.9992 -17.9992 -17.7317 -17.7317 -17.3269 -17.3269 -17.2693 -17.2693 -0.8896 -0.8896 -0.8580 -0.8580 -0.6534 -0.6534 -0.4300 -0.4300 -0.4220 -0.4220 -0.3273 -0.3273 0.1413 0.1413 0.2825 0.2825 0.3274 0.3274 0.5822 0.5822 0.6463 0.6463 1.1333 1.1333 1.1441 1.1441 1.1570 1.1570 1.3450 1.3450 1.5241 1.5241 1.6744 1.6744 1.6854 1.6854 9.4250 9.4250 9.4636 9.4636 9.8270 9.8270 13.4138 13.4138 13.5332 13.5332 13.5656 13.5656 k = 0.3333 0.5774 0.3150 ( 11865 PWs) bands (ev): -57.0170 -57.0170 -38.7695 -38.7695 -38.7695 -38.7695 -31.4090 -31.4090 -24.0281 -24.0281 -24.0215 -24.0215 -18.0117 -18.0117 -18.0062 -18.0062 -17.9990 -17.9990 -17.7293 -17.7293 -17.3199 -17.3199 -17.2731 -17.2731 -0.9213 -0.9213 -0.8907 -0.8907 -0.6764 -0.6764 -0.4258 -0.4258 -0.4215 -0.4215 -0.3124 -0.3124 0.1453 0.1453 0.2778 0.2778 0.3456 0.3456 0.6170 0.6170 0.6841 0.6841 1.1472 1.1472 1.1577 1.1577 1.1691 1.1691 1.3209 1.3209 1.5123 1.5123 1.6680 1.6680 1.6790 1.6790 9.4255 9.4255 9.4703 9.4703 9.8327 9.8327 13.4751 13.4751 13.4898 13.4898 13.5231 13.5231 k = 0.3333 0.5774 0.3308 ( 11889 PWs) bands (ev): -57.0170 -57.0170 -38.7695 -38.7695 -38.7695 -38.7695 -31.4091 -31.4091 -24.0286 -24.0286 -24.0212 -24.0212 -18.0169 -18.0169 -18.0131 -18.0131 -17.9917 -17.9917 -17.7272 -17.7272 -17.3129 -17.3129 -17.2764 -17.2764 -0.9524 -0.9524 -0.9232 -0.9232 -0.7007 -0.7007 -0.4238 -0.4238 -0.4226 -0.4226 -0.2964 -0.2964 0.1494 0.1494 0.2754 0.2754 0.3681 0.3681 0.6513 0.6513 0.7214 0.7214 1.1616 1.1616 1.1723 1.1723 1.1822 1.1822 1.2954 1.2954 1.5001 1.5001 1.6607 1.6607 1.6716 1.6716 9.4260 9.4260 9.4768 9.4768 9.8386 9.8386 13.4447 13.4447 13.4782 13.4782 13.5389 13.5389 k = 0.3333 0.5774 0.3465 ( 11877 PWs) bands (ev): -57.0170 -57.0170 -38.7695 -38.7695 -38.7695 -38.7695 -31.4091 -31.4091 -24.0290 -24.0290 -24.0209 -24.0209 -18.0231 -18.0231 -18.0199 -18.0199 -17.9836 -17.9836 -17.7254 -17.7254 -17.3059 -17.3059 -17.2792 -17.2792 -0.9828 -0.9828 -0.9551 -0.9551 -0.7259 -0.7259 -0.4253 -0.4253 -0.4240 -0.4240 -0.2792 -0.2792 0.1541 0.1541 0.2752 0.2752 0.3937 0.3937 0.6849 0.6849 0.7578 0.7578 1.1759 1.1759 1.1879 1.1879 1.1965 1.1965 1.2688 1.2688 1.4877 1.4877 1.6524 1.6524 1.6634 1.6634 9.4266 9.4266 9.4831 9.4831 9.8444 9.8444 13.3985 13.3985 13.4319 13.4319 13.6048 13.6048 k = 0.3333 0.5774 0.3623 ( 11904 PWs) bands (ev): -57.0170 -57.0170 -38.7695 -38.7695 -38.7695 -38.7695 -31.4091 -31.4091 -24.0294 -24.0294 -24.0206 -24.0206 -18.0293 -18.0293 -18.0266 -18.0266 -17.9758 -17.9758 -17.7238 -17.7238 -17.2991 -17.2991 -17.2814 -17.2814 -1.0123 -1.0123 -0.9864 -0.9864 -0.7518 -0.7518 -0.4296 -0.4296 -0.4264 -0.4264 -0.2609 -0.2609 0.1600 0.1600 0.2771 0.2771 0.4216 0.4216 0.7175 0.7175 0.7932 0.7932 1.1891 1.1891 1.2044 1.2044 1.2122 1.2122 1.2418 1.2418 1.4751 1.4751 1.6433 1.6433 1.6543 1.6543 9.4271 9.4271 9.4891 9.4891 9.8502 9.8502 13.3516 13.3516 13.3846 13.3846 13.6729 13.6729 k = 0.3333 0.5774 0.3780 ( 11910 PWs) bands (ev): -57.0170 -57.0170 -38.7695 -38.7695 -38.7695 -38.7695 -31.4091 -31.4091 -24.0298 -24.0298 -24.0203 -24.0203 -18.0354 -18.0354 -18.0330 -18.0330 -17.9685 -17.9685 -17.7225 -17.7225 -17.2924 -17.2924 -17.2830 -17.2830 -1.0409 -1.0409 -1.0167 -1.0167 -0.7781 -0.7781 -0.4353 -0.4353 -0.4308 -0.4308 -0.2415 -0.2415 0.1671 0.1671 0.2811 0.2811 0.4510 0.4510 0.7490 0.7490 0.8273 0.8273 1.1955 1.1955 1.2195 1.2195 1.2220 1.2220 1.2299 1.2299 1.4623 1.4623 1.6333 1.6333 1.6443 1.6443 9.4276 9.4276 9.4949 9.4949 9.8558 9.8558 13.3043 13.3043 13.3367 13.3367 13.7430 13.7430 k = 0.3333 0.5774 0.3938 ( 11913 PWs) bands (ev): -57.0170 -57.0170 -38.7695 -38.7695 -38.7695 -38.7695 -31.4092 -31.4092 -24.0302 -24.0302 -24.0201 -24.0201 -18.0412 -18.0412 -18.0393 -18.0393 -17.9619 -17.9619 -17.7213 -17.7213 -17.2859 -17.2859 -17.2840 -17.2840 -1.0684 -1.0684 -1.0461 -1.0461 -0.8045 -0.8045 -0.4423 -0.4423 -0.4368 -0.4368 -0.2209 -0.2209 0.1757 0.1757 0.2869 0.2869 0.4814 0.4814 0.7792 0.7792 0.8598 0.8598 1.1752 1.1752 1.2230 1.2230 1.2404 1.2404 1.2484 1.2484 1.4494 1.4494 1.6224 1.6224 1.6335 1.6335 9.4281 9.4281 9.5003 9.5003 9.8613 9.8613 13.2570 13.2570 13.2885 13.2885 13.8151 13.8151 k = 0.3333 0.5774 0.4095 ( 11895 PWs) bands (ev): -57.0170 -57.0170 -38.7695 -38.7695 -38.7695 -38.7695 -31.4092 -31.4092 -24.0305 -24.0305 -24.0198 -24.0198 -18.0468 -18.0468 -18.0452 -18.0452 -17.9562 -17.9562 -17.7201 -17.7201 -17.2844 -17.2844 -17.2797 -17.2797 -1.0948 -1.0948 -1.0743 -1.0743 -0.8308 -0.8308 -0.4503 -0.4503 -0.4443 -0.4443 -0.1994 -0.1994 0.1856 0.1856 0.2945 0.2945 0.5124 0.5124 0.8080 0.8080 0.8907 0.8907 1.1451 1.1451 1.2349 1.2349 1.2597 1.2597 1.2683 1.2683 1.4366 1.4366 1.6106 1.6106 1.6219 1.6219 9.4286 9.4286 9.5053 9.5053 9.8664 9.8664 13.2100 13.2100 13.2404 13.2404 13.8889 13.8889 k = 0.3333 0.5774 0.4253 ( 11877 PWs) bands (ev): -57.0170 -57.0170 -38.7695 -38.7695 -38.7695 -38.7695 -31.4092 -31.4092 -24.0308 -24.0308 -24.0196 -24.0196 -18.0521 -18.0521 -18.0509 -18.0509 -17.9514 -17.9514 -17.7189 -17.7189 -17.2842 -17.2842 -17.2738 -17.2738 -1.1200 -1.1200 -1.1013 -1.1013 -0.8568 -0.8568 -0.4591 -0.4591 -0.4528 -0.4528 -0.1771 -0.1771 0.1969 0.1969 0.3036 0.3036 0.5434 0.5434 0.8351 0.8351 0.9195 0.9195 1.1133 1.1133 1.2475 1.2475 1.2798 1.2798 1.2889 1.2889 1.4238 1.4238 1.5981 1.5981 1.6095 1.6095 9.4290 9.4290 9.5100 9.5100 9.8713 9.8713 13.1635 13.1635 13.1926 13.1926 13.9642 13.9642 k = 0.3333 0.5774 0.4410 ( 11895 PWs) bands (ev): -57.0170 -57.0170 -38.7695 -38.7695 -38.7695 -38.7695 -31.4092 -31.4092 -24.0311 -24.0311 -24.0193 -24.0193 -18.0571 -18.0571 -18.0561 -18.0561 -17.9476 -17.9476 -17.7175 -17.7175 -17.2835 -17.2835 -17.2682 -17.2682 -1.1438 -1.1438 -1.1270 -1.1270 -0.8823 -0.8823 -0.4686 -0.4686 -0.4622 -0.4622 -0.1540 -0.1540 0.2094 0.2094 0.3140 0.3140 0.5742 0.5742 0.8605 0.8605 0.9464 0.9464 1.0807 1.0807 1.2600 1.2600 1.3005 1.3005 1.3102 1.3102 1.4113 1.4113 1.5847 1.5847 1.5964 1.5964 9.4294 9.4294 9.5142 9.5142 9.8757 9.8757 13.1179 13.1179 13.1454 13.1454 14.0403 14.0403 k = 0.3333 0.5774 0.4568 ( 11898 PWs) bands (ev): -57.0170 -57.0170 -38.7695 -38.7695 -38.7695 -38.7695 -31.4092 -31.4092 -24.0313 -24.0313 -24.0192 -24.0192 -18.0617 -18.0617 -18.0610 -18.0610 -17.9451 -17.9451 -17.7158 -17.7158 -17.2821 -17.2821 -17.2630 -17.2630 -1.1664 -1.1664 -1.1514 -1.1514 -0.9071 -0.9071 -0.4785 -0.4785 -0.4722 -0.4722 -0.1303 -0.1303 0.2229 0.2229 0.3257 0.3257 0.6045 0.6045 0.8838 0.8838 0.9710 0.9710 1.0480 1.0480 1.2721 1.2721 1.3216 1.3216 1.3317 1.3317 1.3996 1.3996 1.5707 1.5707 1.5828 1.5828 9.4298 9.4298 9.5181 9.5181 9.8796 9.8796 13.0732 13.0732 13.0991 13.0991 14.1165 14.1165 k = 0.3333 0.5774 0.4725 ( 11889 PWs) bands (ev): -57.0170 -57.0170 -38.7695 -38.7695 -38.7695 -38.7695 -31.4092 -31.4092 -24.0314 -24.0314 -24.0190 -24.0190 -18.0659 -18.0659 -18.0655 -18.0655 -17.9438 -17.9438 -17.7138 -17.7138 -17.2803 -17.2803 -17.2581 -17.2581 -1.1875 -1.1875 -1.1743 -1.1743 -0.9312 -0.9312 -0.4887 -0.4887 -0.4825 -0.4825 -0.1062 -0.1062 0.2374 0.2374 0.3385 0.3385 0.6340 0.6340 0.9043 0.9043 0.9934 0.9934 1.0160 1.0160 1.2834 1.2834 1.3429 1.3429 1.3526 1.3526 1.3896 1.3896 1.5559 1.5559 1.5686 1.5686 9.4301 9.4301 9.5214 9.5214 9.8830 9.8830 13.0298 13.0298 13.0537 13.0537 14.1913 14.1913 k = 0.3333 0.5774 0.4883 ( 11895 PWs) bands (ev): -57.0170 -57.0170 -38.7695 -38.7695 -38.7695 -38.7695 -31.4093 -31.4093 -24.0315 -24.0315 -24.0189 -24.0189 -18.0698 -18.0698 -18.0696 -18.0696 -17.9439 -17.9439 -17.7115 -17.7115 -17.2779 -17.2779 -17.2537 -17.2537 -1.2072 -1.2072 -1.1957 -1.1957 -0.9544 -0.9544 -0.4990 -0.4990 -0.4929 -0.4929 -0.0817 -0.0817 0.2526 0.2526 0.3522 0.3522 0.6623 0.6623 0.9193 0.9193 0.9879 0.9879 1.0134 1.0134 1.2929 1.2929 1.3642 1.3642 1.3683 1.3683 1.3867 1.3867 1.5407 1.5407 1.5543 1.5543 9.4304 9.4304 9.5243 9.5243 9.8858 9.8858 12.9878 12.9878 13.0097 13.0097 14.2618 14.2618 k = 0.3333 0.5774 0.5040 ( 11907 PWs) bands (ev): -57.0170 -57.0170 -38.7695 -38.7695 -38.7695 -38.7695 -31.4093 -31.4093 -24.0316 -24.0316 -24.0187 -24.0187 -18.0733 -18.0733 -18.0732 -18.0732 -17.9452 -17.9452 -17.7087 -17.7087 -17.2751 -17.2751 -17.2497 -17.2497 -1.2255 -1.2255 -1.2155 -1.2155 -0.9766 -0.9766 -0.5091 -0.5091 -0.5033 -0.5033 -0.0572 -0.0572 0.2685 0.2685 0.3666 0.3666 0.6890 0.6890 0.9187 0.9187 0.9741 0.9741 1.0311 1.0311 1.2991 1.2991 1.3688 1.3688 1.3849 1.3849 1.4019 1.4019 1.5250 1.5250 1.5400 1.5400 9.4306 9.4306 9.5267 9.5267 9.8879 9.8879 12.9474 12.9474 12.9670 12.9670 14.3229 14.3229 k = 0.3333 0.5774 0.5198 ( 11919 PWs) bands (ev): -57.0170 -57.0170 -38.7695 -38.7695 -38.7695 -38.7695 -31.4093 -31.4093 -24.0316 -24.0316 -24.0187 -24.0187 -18.0765 -18.0765 -18.0763 -18.0763 -17.9477 -17.9477 -17.7055 -17.7055 -17.2719 -17.2719 -17.2461 -17.2461 -1.2422 -1.2422 -1.2338 -1.2338 -0.9977 -0.9977 -0.5190 -0.5190 -0.5134 -0.5134 -0.0328 -0.0328 0.2849 0.2849 0.3818 0.3818 0.7133 0.7133 0.8976 0.8976 0.9804 0.9804 1.0463 1.0463 1.3003 1.3003 1.3690 1.3690 1.4042 1.4042 1.4220 1.4220 1.5092 1.5092 1.5266 1.5266 9.4308 9.4308 9.5286 9.5286 9.8895 9.8895 12.9088 12.9088 12.9260 12.9260 14.3651 14.3651 k = 0.3333 0.5774 0.5355 ( 11916 PWs) bands (ev): -57.0170 -57.0170 -38.7695 -38.7695 -38.7695 -38.7695 -31.4093 -31.4093 -24.0315 -24.0315 -24.0186 -24.0186 -18.0791 -18.0791 -18.0790 -18.0790 -17.9514 -17.9514 -17.7021 -17.7021 -17.2683 -17.2683 -17.2431 -17.2431 -1.2573 -1.2573 -1.2504 -1.2504 -1.0177 -1.0177 -0.5286 -0.5286 -0.5231 -0.5231 -0.0087 -0.0087 0.3016 0.3016 0.3975 0.3975 0.7337 0.7337 0.8713 0.8713 0.9932 0.9932 1.0591 1.0591 1.2960 1.2960 1.3740 1.3740 1.4208 1.4208 1.4413 1.4413 1.4942 1.4942 1.5152 1.5152 9.4309 9.4309 9.5300 9.5300 9.8903 9.8903 12.8722 12.8722 12.8867 12.8867 14.3760 14.3760 Writing output data file Li2HfF6.save init_run : 0.35s CPU 0.56s WALL ( 1 calls) electrons : 329.62s CPU 333.89s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.06s WALL ( 1 calls) potinit : 0.01s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 329.61s CPU 333.88s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.05s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.09s CPU 0.19s WALL ( 315 calls) cegterg : 295.67s CPU 298.29s WALL ( 352 calls) Called by sum_band: Called by *egterg: h_psi : 206.46s CPU 208.62s WALL ( 5983 calls) s_psi : 8.19s CPU 8.32s WALL ( 5983 calls) g_psi : 0.78s CPU 0.72s WALL ( 5316 calls) cdiaghg : 57.52s CPU 58.36s WALL ( 5631 calls) cegterg:over : 18.28s CPU 18.38s WALL ( 5316 calls) cegterg:upda : 17.13s CPU 17.10s WALL ( 5316 calls) cegterg:last : 9.46s CPU 9.43s WALL ( 982 calls) cdiaghg:chol : 3.29s CPU 3.43s WALL ( 5631 calls) cdiaghg:inve : 2.46s CPU 2.35s WALL ( 5631 calls) cdiaghg:para : 3.85s CPU 3.92s WALL ( 11262 calls) Called by h_psi: h_psi:vloc : 186.44s CPU 188.60s WALL ( 5983 calls) h_psi:vnl : 19.20s CPU 19.18s WALL ( 5983 calls) add_vuspsi : 8.70s CPU 8.76s WALL ( 5983 calls) General routines calbec : 10.49s CPU 10.40s WALL ( 5983 calls) fft : 0.00s CPU 0.01s WALL ( 15 calls) fftw : 176.56s CPU 178.70s WALL ( 883504 calls) davcio : 0.40s CPU 0.72s WALL ( 630 calls) Parallel routines fft_scatter : 53.53s CPU 53.42s WALL ( 883519 calls) PWSCF : 6m11.14s CPU 6m36.91s WALL This run was terminated on: 18: 7:12 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=