Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:17: 9 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: ./Li2ZnSi.save/ file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 50 50 14 3388 3388 496 Max 51 51 15 3397 3397 501 Sum 1813 1813 511 122081 122081 17927 bravais-lattice index = 14 lattice parameter (alat) = 8.0200 a.u. unit-cell volume = 864.9503 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 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)= 8.019997 celldm(2)= 1.000000 celldm(3)= 1.936145 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 1.936145 ) 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 0.516490 ) PseudoPot. # 1 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Zn read from file: /users/gautes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 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 1201 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Li 3.00 6.94100 Li( 1.00) Si 4.00 28.08550 Si( 1.00) Zn 12.00 65.40900 Zn( 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 [1,0,0] 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 [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 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 [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 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 [1,0,0] 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 [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 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 [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 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 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -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 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 305 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032787 k( 2) = ( 0.0116279 0.0067134 -0.0000000), wk = 0.0032787 k( 3) = ( 0.0232558 0.0134267 -0.0000000), wk = 0.0032787 k( 4) = ( 0.0348837 0.0201401 -0.0000000), wk = 0.0032787 k( 5) = ( 0.0465116 0.0268535 -0.0000000), wk = 0.0032787 k( 6) = ( 0.0581395 0.0335669 -0.0000000), wk = 0.0032787 k( 7) = ( 0.0697674 0.0402803 -0.0000000), wk = 0.0032787 k( 8) = ( 0.0813954 0.0469936 -0.0000000), wk = 0.0032787 k( 9) = ( 0.0930233 0.0537070 -0.0000000), wk = 0.0032787 k( 10) = ( 0.1046512 0.0604204 -0.0000000), wk = 0.0032787 k( 11) = ( 0.1162791 0.0671338 -0.0000000), wk = 0.0032787 k( 12) = ( 0.1279070 0.0738471 -0.0000000), wk = 0.0032787 k( 13) = ( 0.1395349 0.0805605 -0.0000000), wk = 0.0032787 k( 14) = ( 0.1511628 0.0872739 -0.0000000), wk = 0.0032787 k( 15) = ( 0.1627907 0.0939873 -0.0000000), wk = 0.0032787 k( 16) = ( 0.1744186 0.1007006 -0.0000000), wk = 0.0032787 k( 17) = ( 0.1860465 0.1074140 -0.0000000), wk = 0.0032787 k( 18) = ( 0.1976744 0.1141274 -0.0000000), wk = 0.0032787 k( 19) = ( 0.2093023 0.1208408 -0.0000000), wk = 0.0032787 k( 20) = ( 0.2209302 0.1275541 -0.0000000), wk = 0.0032787 k( 21) = ( 0.2325581 0.1342675 -0.0000000), wk = 0.0032787 k( 22) = ( 0.2441860 0.1409809 -0.0000000), wk = 0.0032787 k( 23) = ( 0.2558140 0.1476943 -0.0000000), wk = 0.0032787 k( 24) = ( 0.2674419 0.1544076 -0.0000000), wk = 0.0032787 k( 25) = ( 0.2790698 0.1611210 -0.0000000), wk = 0.0032787 k( 26) = ( 0.2906977 0.1678344 -0.0000000), wk = 0.0032787 k( 27) = ( 0.3023256 0.1745478 -0.0000000), wk = 0.0032787 k( 28) = ( 0.3139535 0.1812611 -0.0000000), wk = 0.0032787 k( 29) = ( 0.3255814 0.1879745 -0.0000000), wk = 0.0032787 k( 30) = ( 0.3372093 0.1946879 -0.0000000), wk = 0.0032787 k( 31) = ( 0.3488372 0.2014013 -0.0000000), wk = 0.0032787 k( 32) = ( 0.3604651 0.2081146 -0.0000000), wk = 0.0032787 k( 33) = ( 0.3720930 0.2148280 -0.0000000), wk = 0.0032787 k( 34) = ( 0.3837209 0.2215414 -0.0000000), wk = 0.0032787 k( 35) = ( 0.3953488 0.2282548 -0.0000000), wk = 0.0032787 k( 36) = ( 0.4069767 0.2349681 -0.0000000), wk = 0.0032787 k( 37) = ( 0.4186047 0.2416815 -0.0000000), wk = 0.0032787 k( 38) = ( 0.4302326 0.2483949 -0.0000000), wk = 0.0032787 k( 39) = ( 0.4418605 0.2551083 -0.0000000), wk = 0.0032787 k( 40) = ( 0.4534884 0.2618216 -0.0000000), wk = 0.0032787 k( 41) = ( 0.4651163 0.2685350 -0.0000000), wk = 0.0032787 k( 42) = ( 0.4767442 0.2752484 -0.0000000), wk = 0.0032787 k( 43) = ( 0.4883721 0.2819618 -0.0000000), wk = 0.0032787 k( 44) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032787 k( 45) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032787 k( 46) = ( 0.4933333 0.3002221 -0.0000000), wk = 0.0032787 k( 47) = ( 0.4866667 0.3117692 -0.0000000), wk = 0.0032787 k( 48) = ( 0.4800000 0.3233162 -0.0000000), wk = 0.0032787 k( 49) = ( 0.4733333 0.3348632 -0.0000000), wk = 0.0032787 k( 50) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0032787 k( 51) = ( 0.4600000 0.3579572 -0.0000000), wk = 0.0032787 k( 52) = ( 0.4533333 0.3695042 -0.0000000), wk = 0.0032787 k( 53) = ( 0.4466667 0.3810512 -0.0000000), wk = 0.0032787 k( 54) = ( 0.4400000 0.3925982 -0.0000000), wk = 0.0032787 k( 55) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0032787 k( 56) = ( 0.4266667 0.4156922 -0.0000000), wk = 0.0032787 k( 57) = ( 0.4200000 0.4272392 -0.0000000), wk = 0.0032787 k( 58) = ( 0.4133333 0.4387862 -0.0000000), wk = 0.0032787 k( 59) = ( 0.4066667 0.4503332 -0.0000000), wk = 0.0032787 k( 60) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0032787 k( 61) = ( 0.3933333 0.4734272 -0.0000000), wk = 0.0032787 k( 62) = ( 0.3866667 0.4849742 -0.0000000), wk = 0.0032787 k( 63) = ( 0.3800000 0.4965212 -0.0000000), wk = 0.0032787 k( 64) = ( 0.3733333 0.5080682 -0.0000000), wk = 0.0032787 k( 65) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0032787 k( 66) = ( 0.3600000 0.5311622 -0.0000000), wk = 0.0032787 k( 67) = ( 0.3533333 0.5427092 -0.0000000), wk = 0.0032787 k( 68) = ( 0.3466667 0.5542563 -0.0000000), wk = 0.0032787 k( 69) = ( 0.3400000 0.5658033 -0.0000000), wk = 0.0032787 k( 70) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032787 k( 71) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032787 k( 72) = ( 0.3266667 0.5658033 -0.0000000), wk = 0.0032787 k( 73) = ( 0.3200000 0.5542563 -0.0000000), wk = 0.0032787 k( 74) = ( 0.3133333 0.5427092 -0.0000000), wk = 0.0032787 k( 75) = ( 0.3066667 0.5311623 -0.0000000), wk = 0.0032787 k( 76) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0032787 k( 77) = ( 0.2933333 0.5080682 -0.0000000), wk = 0.0032787 k( 78) = ( 0.2866667 0.4965212 -0.0000000), wk = 0.0032787 k( 79) = ( 0.2800000 0.4849742 -0.0000000), wk = 0.0032787 k( 80) = ( 0.2733333 0.4734272 -0.0000000), wk = 0.0032787 k( 81) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0032787 k( 82) = ( 0.2600000 0.4503332 -0.0000000), wk = 0.0032787 k( 83) = ( 0.2533333 0.4387862 -0.0000000), wk = 0.0032787 k( 84) = ( 0.2466667 0.4272392 -0.0000000), wk = 0.0032787 k( 85) = ( 0.2400000 0.4156922 -0.0000000), wk = 0.0032787 k( 86) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0032787 k( 87) = ( 0.2266667 0.3925982 -0.0000000), wk = 0.0032787 k( 88) = ( 0.2200000 0.3810512 -0.0000000), wk = 0.0032787 k( 89) = ( 0.2133333 0.3695042 -0.0000000), wk = 0.0032787 k( 90) = ( 0.2066667 0.3579572 -0.0000000), wk = 0.0032787 k( 91) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0032787 k( 92) = ( 0.1933333 0.3348632 -0.0000000), wk = 0.0032787 k( 93) = ( 0.1866667 0.3233162 -0.0000000), wk = 0.0032787 k( 94) = ( 0.1800000 0.3117691 -0.0000000), wk = 0.0032787 k( 95) = ( 0.1733333 0.3002221 -0.0000000), wk = 0.0032787 k( 96) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0032787 k( 97) = ( 0.1600000 0.2771281 -0.0000000), wk = 0.0032787 k( 98) = ( 0.1533333 0.2655811 -0.0000000), wk = 0.0032787 k( 99) = ( 0.1466667 0.2540341 -0.0000000), wk = 0.0032787 k( 100) = ( 0.1400000 0.2424871 -0.0000000), wk = 0.0032787 k( 101) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0032787 k( 102) = ( 0.1266667 0.2193931 -0.0000000), wk = 0.0032787 k( 103) = ( 0.1200000 0.2078461 -0.0000000), wk = 0.0032787 k( 104) = ( 0.1133333 0.1962991 -0.0000000), wk = 0.0032787 k( 105) = ( 0.1066667 0.1847521 -0.0000000), wk = 0.0032787 k( 106) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0032787 k( 107) = ( 0.0933333 0.1616581 -0.0000000), wk = 0.0032787 k( 108) = ( 0.0866667 0.1501111 -0.0000000), wk = 0.0032787 k( 109) = ( 0.0800000 0.1385641 -0.0000000), wk = 0.0032787 k( 110) = ( 0.0733333 0.1270171 -0.0000000), wk = 0.0032787 k( 111) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0032787 k( 112) = ( 0.0600000 0.1039230 -0.0000000), wk = 0.0032787 k( 113) = ( 0.0533333 0.0923760 -0.0000000), wk = 0.0032787 k( 114) = ( 0.0466667 0.0808290 -0.0000000), wk = 0.0032787 k( 115) = ( 0.0400000 0.0692820 -0.0000000), wk = 0.0032787 k( 116) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0032787 k( 117) = ( 0.0266667 0.0461880 -0.0000000), wk = 0.0032787 k( 118) = ( 0.0200000 0.0346410 -0.0000000), wk = 0.0032787 k( 119) = ( 0.0133333 0.0230940 -0.0000000), wk = 0.0032787 k( 120) = ( 0.0066667 0.0115470 -0.0000000), wk = 0.0032787 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032787 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032787 k( 123) = ( 0.0000000 0.0000000 0.0129123), wk = 0.0032787 k( 124) = ( 0.0000000 0.0000000 0.0258245), wk = 0.0032787 k( 125) = ( 0.0000000 0.0000000 0.0387368), wk = 0.0032787 k( 126) = ( 0.0000000 0.0000000 0.0516490), wk = 0.0032787 k( 127) = ( 0.0000000 0.0000000 0.0645613), wk = 0.0032787 k( 128) = ( 0.0000000 0.0000000 0.0774735), wk = 0.0032787 k( 129) = ( 0.0000000 0.0000000 0.0903858), wk = 0.0032787 k( 130) = ( 0.0000000 0.0000000 0.1032980), wk = 0.0032787 k( 131) = ( 0.0000000 0.0000000 0.1162103), wk = 0.0032787 k( 132) = ( 0.0000000 0.0000000 0.1291226), wk = 0.0032787 k( 133) = ( 0.0000000 0.0000000 0.1420348), wk = 0.0032787 k( 134) = ( 0.0000000 0.0000000 0.1549471), wk = 0.0032787 k( 135) = ( 0.0000000 0.0000000 0.1678593), wk = 0.0032787 k( 136) = ( 0.0000000 0.0000000 0.1807716), wk = 0.0032787 k( 137) = ( 0.0000000 0.0000000 0.1936838), wk = 0.0032787 k( 138) = ( 0.0000000 0.0000000 0.2065961), wk = 0.0032787 k( 139) = ( 0.0000000 0.0000000 0.2195083), wk = 0.0032787 k( 140) = ( 0.0000000 0.0000000 0.2324206), wk = 0.0032787 k( 141) = ( 0.0000000 0.0000000 0.2453328), wk = 0.0032787 k( 142) = ( 0.0000000 0.0000000 0.2582451), wk = 0.0032787 k( 143) = ( 0.0000000 0.0000000 0.2582451), wk = 0.0032787 k( 144) = ( 0.0116279 0.0067134 0.2582451), wk = 0.0032787 k( 145) = ( 0.0232558 0.0134267 0.2582451), wk = 0.0032787 k( 146) = ( 0.0348837 0.0201401 0.2582451), wk = 0.0032787 k( 147) = ( 0.0465116 0.0268535 0.2582451), wk = 0.0032787 k( 148) = ( 0.0581395 0.0335669 0.2582451), wk = 0.0032787 k( 149) = ( 0.0697674 0.0402803 0.2582451), wk = 0.0032787 k( 150) = ( 0.0813954 0.0469936 0.2582451), wk = 0.0032787 k( 151) = ( 0.0930233 0.0537070 0.2582451), wk = 0.0032787 k( 152) = ( 0.1046512 0.0604204 0.2582451), wk = 0.0032787 k( 153) = ( 0.1162791 0.0671338 0.2582451), wk = 0.0032787 k( 154) = ( 0.1279070 0.0738471 0.2582451), wk = 0.0032787 k( 155) = ( 0.1395349 0.0805605 0.2582451), wk = 0.0032787 k( 156) = ( 0.1511628 0.0872739 0.2582451), wk = 0.0032787 k( 157) = ( 0.1627907 0.0939873 0.2582451), wk = 0.0032787 k( 158) = ( 0.1744186 0.1007006 0.2582451), wk = 0.0032787 k( 159) = ( 0.1860465 0.1074140 0.2582451), wk = 0.0032787 k( 160) = ( 0.1976744 0.1141274 0.2582451), wk = 0.0032787 k( 161) = ( 0.2093023 0.1208408 0.2582451), wk = 0.0032787 k( 162) = ( 0.2209302 0.1275541 0.2582451), wk = 0.0032787 k( 163) = ( 0.2325581 0.1342675 0.2582451), wk = 0.0032787 k( 164) = ( 0.2441860 0.1409809 0.2582451), wk = 0.0032787 k( 165) = ( 0.2558140 0.1476943 0.2582451), wk = 0.0032787 k( 166) = ( 0.2674419 0.1544076 0.2582451), wk = 0.0032787 k( 167) = ( 0.2790698 0.1611210 0.2582451), wk = 0.0032787 k( 168) = ( 0.2906977 0.1678344 0.2582451), wk = 0.0032787 k( 169) = ( 0.3023256 0.1745478 0.2582451), wk = 0.0032787 k( 170) = ( 0.3139535 0.1812611 0.2582451), wk = 0.0032787 k( 171) = ( 0.3255814 0.1879745 0.2582451), wk = 0.0032787 k( 172) = ( 0.3372093 0.1946879 0.2582451), wk = 0.0032787 k( 173) = ( 0.3488372 0.2014013 0.2582451), wk = 0.0032787 k( 174) = ( 0.3604651 0.2081146 0.2582451), wk = 0.0032787 k( 175) = ( 0.3720930 0.2148280 0.2582451), wk = 0.0032787 k( 176) = ( 0.3837209 0.2215414 0.2582451), wk = 0.0032787 k( 177) = ( 0.3953488 0.2282548 0.2582451), wk = 0.0032787 k( 178) = ( 0.4069767 0.2349681 0.2582451), wk = 0.0032787 k( 179) = ( 0.4186047 0.2416815 0.2582451), wk = 0.0032787 k( 180) = ( 0.4302326 0.2483949 0.2582451), wk = 0.0032787 k( 181) = ( 0.4418605 0.2551083 0.2582451), wk = 0.0032787 k( 182) = ( 0.4534884 0.2618216 0.2582451), wk = 0.0032787 k( 183) = ( 0.4651163 0.2685350 0.2582451), wk = 0.0032787 k( 184) = ( 0.4767442 0.2752484 0.2582451), wk = 0.0032787 k( 185) = ( 0.4883721 0.2819618 0.2582451), wk = 0.0032787 k( 186) = ( 0.5000000 0.2886751 0.2582451), wk = 0.0032787 k( 187) = ( 0.5000000 0.2886751 0.2582451), wk = 0.0032787 k( 188) = ( 0.4933333 0.3002221 0.2582451), wk = 0.0032787 k( 189) = ( 0.4866667 0.3117692 0.2582451), wk = 0.0032787 k( 190) = ( 0.4800000 0.3233162 0.2582451), wk = 0.0032787 k( 191) = ( 0.4733333 0.3348632 0.2582451), wk = 0.0032787 k( 192) = ( 0.4666667 0.3464102 0.2582451), wk = 0.0032787 k( 193) = ( 0.4600000 0.3579572 0.2582451), wk = 0.0032787 k( 194) = ( 0.4533333 0.3695042 0.2582451), wk = 0.0032787 k( 195) = ( 0.4466667 0.3810512 0.2582451), wk = 0.0032787 k( 196) = ( 0.4400000 0.3925982 0.2582451), wk = 0.0032787 k( 197) = ( 0.4333333 0.4041452 0.2582451), wk = 0.0032787 k( 198) = ( 0.4266667 0.4156922 0.2582451), wk = 0.0032787 k( 199) = ( 0.4200000 0.4272392 0.2582451), wk = 0.0032787 k( 200) = ( 0.4133333 0.4387862 0.2582451), wk = 0.0032787 k( 201) = ( 0.4066667 0.4503332 0.2582451), wk = 0.0032787 k( 202) = ( 0.4000000 0.4618802 0.2582451), wk = 0.0032787 k( 203) = ( 0.3933333 0.4734272 0.2582451), wk = 0.0032787 k( 204) = ( 0.3866667 0.4849742 0.2582451), wk = 0.0032787 k( 205) = ( 0.3800000 0.4965212 0.2582451), wk = 0.0032787 k( 206) = ( 0.3733333 0.5080682 0.2582451), wk = 0.0032787 k( 207) = ( 0.3666667 0.5196152 0.2582451), wk = 0.0032787 k( 208) = ( 0.3600000 0.5311622 0.2582451), wk = 0.0032787 k( 209) = ( 0.3533333 0.5427092 0.2582451), wk = 0.0032787 k( 210) = ( 0.3466667 0.5542563 0.2582451), wk = 0.0032787 k( 211) = ( 0.3400000 0.5658033 0.2582451), wk = 0.0032787 k( 212) = ( 0.3333333 0.5773503 0.2582451), wk = 0.0032787 k( 213) = ( 0.3333333 0.5773503 0.2582451), wk = 0.0032787 k( 214) = ( 0.3266667 0.5658033 0.2582451), wk = 0.0032787 k( 215) = ( 0.3200000 0.5542563 0.2582451), wk = 0.0032787 k( 216) = ( 0.3133333 0.5427092 0.2582451), wk = 0.0032787 k( 217) = ( 0.3066667 0.5311623 0.2582451), wk = 0.0032787 k( 218) = ( 0.3000000 0.5196152 0.2582451), wk = 0.0032787 k( 219) = ( 0.2933333 0.5080682 0.2582451), wk = 0.0032787 k( 220) = ( 0.2866667 0.4965212 0.2582451), wk = 0.0032787 k( 221) = ( 0.2800000 0.4849742 0.2582451), wk = 0.0032787 k( 222) = ( 0.2733333 0.4734272 0.2582451), wk = 0.0032787 k( 223) = ( 0.2666667 0.4618802 0.2582451), wk = 0.0032787 k( 224) = ( 0.2600000 0.4503332 0.2582451), wk = 0.0032787 k( 225) = ( 0.2533333 0.4387862 0.2582451), wk = 0.0032787 k( 226) = ( 0.2466667 0.4272392 0.2582451), wk = 0.0032787 k( 227) = ( 0.2400000 0.4156922 0.2582451), wk = 0.0032787 k( 228) = ( 0.2333333 0.4041452 0.2582451), wk = 0.0032787 k( 229) = ( 0.2266667 0.3925982 0.2582451), wk = 0.0032787 k( 230) = ( 0.2200000 0.3810512 0.2582451), wk = 0.0032787 k( 231) = ( 0.2133333 0.3695042 0.2582451), wk = 0.0032787 k( 232) = ( 0.2066667 0.3579572 0.2582451), wk = 0.0032787 k( 233) = ( 0.2000000 0.3464102 0.2582451), wk = 0.0032787 k( 234) = ( 0.1933333 0.3348632 0.2582451), wk = 0.0032787 k( 235) = ( 0.1866667 0.3233162 0.2582451), wk = 0.0032787 k( 236) = ( 0.1800000 0.3117691 0.2582451), wk = 0.0032787 k( 237) = ( 0.1733333 0.3002221 0.2582451), wk = 0.0032787 k( 238) = ( 0.1666667 0.2886751 0.2582451), wk = 0.0032787 k( 239) = ( 0.1600000 0.2771281 0.2582451), wk = 0.0032787 k( 240) = ( 0.1533333 0.2655811 0.2582451), wk = 0.0032787 k( 241) = ( 0.1466667 0.2540341 0.2582451), wk = 0.0032787 k( 242) = ( 0.1400000 0.2424871 0.2582451), wk = 0.0032787 k( 243) = ( 0.1333333 0.2309401 0.2582451), wk = 0.0032787 k( 244) = ( 0.1266667 0.2193931 0.2582451), wk = 0.0032787 k( 245) = ( 0.1200000 0.2078461 0.2582451), wk = 0.0032787 k( 246) = ( 0.1133333 0.1962991 0.2582451), wk = 0.0032787 k( 247) = ( 0.1066667 0.1847521 0.2582451), wk = 0.0032787 k( 248) = ( 0.1000000 0.1732051 0.2582451), wk = 0.0032787 k( 249) = ( 0.0933333 0.1616581 0.2582451), wk = 0.0032787 k( 250) = ( 0.0866667 0.1501111 0.2582451), wk = 0.0032787 k( 251) = ( 0.0800000 0.1385641 0.2582451), wk = 0.0032787 k( 252) = ( 0.0733333 0.1270171 0.2582451), wk = 0.0032787 k( 253) = ( 0.0666667 0.1154701 0.2582451), wk = 0.0032787 k( 254) = ( 0.0600000 0.1039230 0.2582451), wk = 0.0032787 k( 255) = ( 0.0533333 0.0923760 0.2582451), wk = 0.0032787 k( 256) = ( 0.0466667 0.0808290 0.2582451), wk = 0.0032787 k( 257) = ( 0.0400000 0.0692820 0.2582451), wk = 0.0032787 k( 258) = ( 0.0333333 0.0577350 0.2582451), wk = 0.0032787 k( 259) = ( 0.0266667 0.0461880 0.2582451), wk = 0.0032787 k( 260) = ( 0.0200000 0.0346410 0.2582451), wk = 0.0032787 k( 261) = ( 0.0133333 0.0230940 0.2582451), wk = 0.0032787 k( 262) = ( 0.0066667 0.0115470 0.2582451), wk = 0.0032787 k( 263) = ( 0.0000000 0.0000000 0.2582451), wk = 0.0032787 k( 264) = ( 0.5000000 0.2886751 0.2582451), wk = 0.0032787 k( 265) = ( 0.5000000 0.2886751 0.2453328), wk = 0.0032787 k( 266) = ( 0.5000000 0.2886751 0.2324206), wk = 0.0032787 k( 267) = ( 0.5000000 0.2886751 0.2195083), wk = 0.0032787 k( 268) = ( 0.5000000 0.2886751 0.2065961), wk = 0.0032787 k( 269) = ( 0.5000000 0.2886751 0.1936838), wk = 0.0032787 k( 270) = ( 0.5000000 0.2886751 0.1807716), wk = 0.0032787 k( 271) = ( 0.5000000 0.2886751 0.1678593), wk = 0.0032787 k( 272) = ( 0.5000000 0.2886751 0.1549471), wk = 0.0032787 k( 273) = ( 0.5000000 0.2886751 0.1420348), wk = 0.0032787 k( 274) = ( 0.5000000 0.2886751 0.1291226), wk = 0.0032787 k( 275) = ( 0.5000000 0.2886751 0.1162103), wk = 0.0032787 k( 276) = ( 0.5000000 0.2886751 0.1032980), wk = 0.0032787 k( 277) = ( 0.5000000 0.2886751 0.0903858), wk = 0.0032787 k( 278) = ( 0.5000000 0.2886751 0.0774735), wk = 0.0032787 k( 279) = ( 0.5000000 0.2886751 0.0645613), wk = 0.0032787 k( 280) = ( 0.5000000 0.2886751 0.0516490), wk = 0.0032787 k( 281) = ( 0.5000000 0.2886751 0.0387368), wk = 0.0032787 k( 282) = ( 0.5000000 0.2886751 0.0258245), wk = 0.0032787 k( 283) = ( 0.5000000 0.2886751 0.0129123), wk = 0.0032787 k( 284) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032787 k( 285) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032787 k( 286) = ( 0.3333333 0.5773503 0.0129123), wk = 0.0032787 k( 287) = ( 0.3333333 0.5773503 0.0258245), wk = 0.0032787 k( 288) = ( 0.3333333 0.5773503 0.0387368), wk = 0.0032787 k( 289) = ( 0.3333333 0.5773503 0.0516490), wk = 0.0032787 k( 290) = ( 0.3333333 0.5773503 0.0645613), wk = 0.0032787 k( 291) = ( 0.3333333 0.5773503 0.0774735), wk = 0.0032787 k( 292) = ( 0.3333333 0.5773503 0.0903858), wk = 0.0032787 k( 293) = ( 0.3333333 0.5773503 0.1032980), wk = 0.0032787 k( 294) = ( 0.3333333 0.5773503 0.1162103), wk = 0.0032787 k( 295) = ( 0.3333333 0.5773503 0.1291226), wk = 0.0032787 k( 296) = ( 0.3333333 0.5773503 0.1420348), wk = 0.0032787 k( 297) = ( 0.3333333 0.5773503 0.1549471), wk = 0.0032787 k( 298) = ( 0.3333333 0.5773503 0.1678593), wk = 0.0032787 k( 299) = ( 0.3333333 0.5773503 0.1807716), wk = 0.0032787 k( 300) = ( 0.3333333 0.5773503 0.1936838), wk = 0.0032787 k( 301) = ( 0.3333333 0.5773503 0.2065961), wk = 0.0032787 k( 302) = ( 0.3333333 0.5773503 0.2195083), wk = 0.0032787 k( 303) = ( 0.3333333 0.5773503 0.2324206), wk = 0.0032787 k( 304) = ( 0.3333333 0.5773503 0.2453328), wk = 0.0032787 k( 305) = ( 0.3333333 0.5773503 0.2582451), wk = 0.0032787 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032787 k( 2) = ( 0.0116279 -0.0000000 -0.0000000), wk = 0.0032787 k( 3) = ( 0.0232558 -0.0000000 -0.0000000), wk = 0.0032787 k( 4) = ( 0.0348837 0.0000000 -0.0000000), wk = 0.0032787 k( 5) = ( 0.0465116 -0.0000000 -0.0000000), wk = 0.0032787 k( 6) = ( 0.0581395 -0.0000000 -0.0000000), wk = 0.0032787 k( 7) = ( 0.0697674 0.0000000 -0.0000000), wk = 0.0032787 k( 8) = ( 0.0813954 -0.0000000 -0.0000000), wk = 0.0032787 k( 9) = ( 0.0930233 -0.0000000 -0.0000000), wk = 0.0032787 k( 10) = ( 0.1046512 -0.0000000 -0.0000000), wk = 0.0032787 k( 11) = ( 0.1162791 -0.0000000 -0.0000000), wk = 0.0032787 k( 12) = ( 0.1279070 0.0000000 -0.0000000), wk = 0.0032787 k( 13) = ( 0.1395349 0.0000000 -0.0000000), wk = 0.0032787 k( 14) = ( 0.1511628 0.0000000 -0.0000000), wk = 0.0032787 k( 15) = ( 0.1627907 -0.0000000 -0.0000000), wk = 0.0032787 k( 16) = ( 0.1744186 -0.0000000 -0.0000000), wk = 0.0032787 k( 17) = ( 0.1860465 -0.0000000 -0.0000000), wk = 0.0032787 k( 18) = ( 0.1976744 0.0000000 -0.0000000), wk = 0.0032787 k( 19) = ( 0.2093023 -0.0000000 -0.0000000), wk = 0.0032787 k( 20) = ( 0.2209302 0.0000000 -0.0000000), wk = 0.0032787 k( 21) = ( 0.2325581 -0.0000000 -0.0000000), wk = 0.0032787 k( 22) = ( 0.2441860 -0.0000000 -0.0000000), wk = 0.0032787 k( 23) = ( 0.2558140 0.0000000 -0.0000000), wk = 0.0032787 k( 24) = ( 0.2674419 0.0000000 -0.0000000), wk = 0.0032787 k( 25) = ( 0.2790698 -0.0000000 -0.0000000), wk = 0.0032787 k( 26) = ( 0.2906977 -0.0000000 -0.0000000), wk = 0.0032787 k( 27) = ( 0.3023256 0.0000000 -0.0000000), wk = 0.0032787 k( 28) = ( 0.3139535 0.0000000 -0.0000000), wk = 0.0032787 k( 29) = ( 0.3255814 -0.0000000 -0.0000000), wk = 0.0032787 k( 30) = ( 0.3372093 -0.0000000 0.0000000), wk = 0.0032787 k( 31) = ( 0.3488372 -0.0000000 -0.0000000), wk = 0.0032787 k( 32) = ( 0.3604651 0.0000000 -0.0000000), wk = 0.0032787 k( 33) = ( 0.3720930 -0.0000000 -0.0000000), wk = 0.0032787 k( 34) = ( 0.3837209 0.0000000 -0.0000000), wk = 0.0032787 k( 35) = ( 0.3953488 0.0000000 -0.0000000), wk = 0.0032787 k( 36) = ( 0.4069767 0.0000000 -0.0000000), wk = 0.0032787 k( 37) = ( 0.4186047 0.0000000 -0.0000000), wk = 0.0032787 k( 38) = ( 0.4302326 -0.0000000 -0.0000000), wk = 0.0032787 k( 39) = ( 0.4418605 0.0000000 -0.0000000), wk = 0.0032787 k( 40) = ( 0.4534884 -0.0000000 -0.0000000), wk = 0.0032787 k( 41) = ( 0.4651163 -0.0000000 -0.0000000), wk = 0.0032787 k( 42) = ( 0.4767442 -0.0000000 -0.0000000), wk = 0.0032787 k( 43) = ( 0.4883721 -0.0000000 -0.0000000), wk = 0.0032787 k( 44) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0032787 k( 45) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0032787 k( 46) = ( 0.4933333 0.0133333 -0.0000000), wk = 0.0032787 k( 47) = ( 0.4866667 0.0266667 -0.0000000), wk = 0.0032787 k( 48) = ( 0.4800000 0.0400000 -0.0000000), wk = 0.0032787 k( 49) = ( 0.4733333 0.0533333 -0.0000000), wk = 0.0032787 k( 50) = ( 0.4666667 0.0666667 -0.0000000), wk = 0.0032787 k( 51) = ( 0.4600000 0.0800000 -0.0000000), wk = 0.0032787 k( 52) = ( 0.4533333 0.0933333 0.0000000), wk = 0.0032787 k( 53) = ( 0.4466667 0.1066667 -0.0000000), wk = 0.0032787 k( 54) = ( 0.4400000 0.1200000 0.0000000), wk = 0.0032787 k( 55) = ( 0.4333333 0.1333333 -0.0000000), wk = 0.0032787 k( 56) = ( 0.4266667 0.1466667 -0.0000000), wk = 0.0032787 k( 57) = ( 0.4200000 0.1600000 -0.0000000), wk = 0.0032787 k( 58) = ( 0.4133333 0.1733333 -0.0000000), wk = 0.0032787 k( 59) = ( 0.4066667 0.1866667 -0.0000000), wk = 0.0032787 k( 60) = ( 0.4000000 0.2000000 -0.0000000), wk = 0.0032787 k( 61) = ( 0.3933333 0.2133333 -0.0000000), wk = 0.0032787 k( 62) = ( 0.3866667 0.2266667 0.0000000), wk = 0.0032787 k( 63) = ( 0.3800000 0.2400000 -0.0000000), wk = 0.0032787 k( 64) = ( 0.3733333 0.2533333 -0.0000000), wk = 0.0032787 k( 65) = ( 0.3666667 0.2666667 -0.0000000), wk = 0.0032787 k( 66) = ( 0.3600000 0.2800000 -0.0000000), wk = 0.0032787 k( 67) = ( 0.3533333 0.2933333 -0.0000000), wk = 0.0032787 k( 68) = ( 0.3466667 0.3066667 -0.0000000), wk = 0.0032787 k( 69) = ( 0.3400000 0.3200000 -0.0000000), wk = 0.0032787 k( 70) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0032787 k( 71) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0032787 k( 72) = ( 0.3266667 0.3266667 -0.0000000), wk = 0.0032787 k( 73) = ( 0.3200000 0.3200000 -0.0000000), wk = 0.0032787 k( 74) = ( 0.3133333 0.3133333 -0.0000000), wk = 0.0032787 k( 75) = ( 0.3066667 0.3066667 -0.0000000), wk = 0.0032787 k( 76) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0032787 k( 77) = ( 0.2933333 0.2933333 -0.0000000), wk = 0.0032787 k( 78) = ( 0.2866667 0.2866667 -0.0000000), wk = 0.0032787 k( 79) = ( 0.2800000 0.2800000 -0.0000000), wk = 0.0032787 k( 80) = ( 0.2733333 0.2733333 -0.0000000), wk = 0.0032787 k( 81) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0032787 k( 82) = ( 0.2600000 0.2600000 -0.0000000), wk = 0.0032787 k( 83) = ( 0.2533333 0.2533333 -0.0000000), wk = 0.0032787 k( 84) = ( 0.2466667 0.2466667 -0.0000000), wk = 0.0032787 k( 85) = ( 0.2400000 0.2400000 -0.0000000), wk = 0.0032787 k( 86) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0032787 k( 87) = ( 0.2266667 0.2266667 -0.0000000), wk = 0.0032787 k( 88) = ( 0.2200000 0.2200000 -0.0000000), wk = 0.0032787 k( 89) = ( 0.2133333 0.2133333 -0.0000000), wk = 0.0032787 k( 90) = ( 0.2066667 0.2066667 -0.0000000), wk = 0.0032787 k( 91) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0032787 k( 92) = ( 0.1933333 0.1933333 -0.0000000), wk = 0.0032787 k( 93) = ( 0.1866667 0.1866667 -0.0000000), wk = 0.0032787 k( 94) = ( 0.1800000 0.1800000 -0.0000000), wk = 0.0032787 k( 95) = ( 0.1733333 0.1733333 -0.0000000), wk = 0.0032787 k( 96) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0032787 k( 97) = ( 0.1600000 0.1600000 -0.0000000), wk = 0.0032787 k( 98) = ( 0.1533333 0.1533333 -0.0000000), wk = 0.0032787 k( 99) = ( 0.1466667 0.1466667 -0.0000000), wk = 0.0032787 k( 100) = ( 0.1400000 0.1400000 -0.0000000), wk = 0.0032787 k( 101) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0032787 k( 102) = ( 0.1266667 0.1266667 -0.0000000), wk = 0.0032787 k( 103) = ( 0.1200000 0.1200000 -0.0000000), wk = 0.0032787 k( 104) = ( 0.1133333 0.1133333 -0.0000000), wk = 0.0032787 k( 105) = ( 0.1066667 0.1066667 -0.0000000), wk = 0.0032787 k( 106) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0032787 k( 107) = ( 0.0933333 0.0933333 -0.0000000), wk = 0.0032787 k( 108) = ( 0.0866667 0.0866667 -0.0000000), wk = 0.0032787 k( 109) = ( 0.0800000 0.0800000 -0.0000000), wk = 0.0032787 k( 110) = ( 0.0733333 0.0733333 -0.0000000), wk = 0.0032787 k( 111) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0032787 k( 112) = ( 0.0600000 0.0600000 -0.0000000), wk = 0.0032787 k( 113) = ( 0.0533333 0.0533333 -0.0000000), wk = 0.0032787 k( 114) = ( 0.0466667 0.0466667 -0.0000000), wk = 0.0032787 k( 115) = ( 0.0400000 0.0400000 -0.0000000), wk = 0.0032787 k( 116) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0032787 k( 117) = ( 0.0266667 0.0266667 -0.0000000), wk = 0.0032787 k( 118) = ( 0.0200000 0.0200000 -0.0000000), wk = 0.0032787 k( 119) = ( 0.0133333 0.0133333 -0.0000000), wk = 0.0032787 k( 120) = ( 0.0066667 0.0066667 -0.0000000), wk = 0.0032787 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032787 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032787 k( 123) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0032787 k( 124) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0032787 k( 125) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0032787 k( 126) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0032787 k( 127) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0032787 k( 128) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0032787 k( 129) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0032787 k( 130) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0032787 k( 131) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0032787 k( 132) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0032787 k( 133) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0032787 k( 134) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0032787 k( 135) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0032787 k( 136) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0032787 k( 137) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0032787 k( 138) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0032787 k( 139) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0032787 k( 140) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0032787 k( 141) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0032787 k( 142) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032787 k( 143) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032787 k( 144) = ( 0.0116279 -0.0000000 0.5000000), wk = 0.0032787 k( 145) = ( 0.0232558 -0.0000000 0.5000000), wk = 0.0032787 k( 146) = ( 0.0348837 0.0000000 0.5000000), wk = 0.0032787 k( 147) = ( 0.0465116 -0.0000000 0.5000000), wk = 0.0032787 k( 148) = ( 0.0581395 -0.0000000 0.5000000), wk = 0.0032787 k( 149) = ( 0.0697674 0.0000000 0.5000000), wk = 0.0032787 k( 150) = ( 0.0813954 -0.0000000 0.5000000), wk = 0.0032787 k( 151) = ( 0.0930233 -0.0000000 0.5000000), wk = 0.0032787 k( 152) = ( 0.1046512 -0.0000000 0.5000000), wk = 0.0032787 k( 153) = ( 0.1162791 -0.0000000 0.5000000), wk = 0.0032787 k( 154) = ( 0.1279070 0.0000000 0.5000000), wk = 0.0032787 k( 155) = ( 0.1395349 0.0000000 0.5000000), wk = 0.0032787 k( 156) = ( 0.1511628 0.0000000 0.5000000), wk = 0.0032787 k( 157) = ( 0.1627907 -0.0000000 0.5000000), wk = 0.0032787 k( 158) = ( 0.1744186 -0.0000000 0.5000000), wk = 0.0032787 k( 159) = ( 0.1860465 -0.0000000 0.5000000), wk = 0.0032787 k( 160) = ( 0.1976744 0.0000000 0.5000000), wk = 0.0032787 k( 161) = ( 0.2093023 -0.0000000 0.5000000), wk = 0.0032787 k( 162) = ( 0.2209302 0.0000000 0.5000000), wk = 0.0032787 k( 163) = ( 0.2325581 -0.0000000 0.5000000), wk = 0.0032787 k( 164) = ( 0.2441860 -0.0000000 0.5000000), wk = 0.0032787 k( 165) = ( 0.2558140 0.0000000 0.5000000), wk = 0.0032787 k( 166) = ( 0.2674419 0.0000000 0.5000000), wk = 0.0032787 k( 167) = ( 0.2790698 -0.0000000 0.5000000), wk = 0.0032787 k( 168) = ( 0.2906977 -0.0000000 0.5000000), wk = 0.0032787 k( 169) = ( 0.3023256 0.0000000 0.5000000), wk = 0.0032787 k( 170) = ( 0.3139535 0.0000000 0.5000000), wk = 0.0032787 k( 171) = ( 0.3255814 -0.0000000 0.5000000), wk = 0.0032787 k( 172) = ( 0.3372093 -0.0000000 0.5000000), wk = 0.0032787 k( 173) = ( 0.3488372 -0.0000000 0.5000000), wk = 0.0032787 k( 174) = ( 0.3604651 0.0000000 0.5000000), wk = 0.0032787 k( 175) = ( 0.3720930 -0.0000000 0.5000000), wk = 0.0032787 k( 176) = ( 0.3837209 0.0000000 0.5000000), wk = 0.0032787 k( 177) = ( 0.3953488 0.0000000 0.5000000), wk = 0.0032787 k( 178) = ( 0.4069767 0.0000000 0.5000000), wk = 0.0032787 k( 179) = ( 0.4186047 0.0000000 0.5000000), wk = 0.0032787 k( 180) = ( 0.4302326 -0.0000000 0.5000000), wk = 0.0032787 k( 181) = ( 0.4418605 0.0000000 0.5000000), wk = 0.0032787 k( 182) = ( 0.4534884 -0.0000000 0.5000000), wk = 0.0032787 k( 183) = ( 0.4651163 -0.0000000 0.5000000), wk = 0.0032787 k( 184) = ( 0.4767442 -0.0000000 0.5000000), wk = 0.0032787 k( 185) = ( 0.4883721 -0.0000000 0.5000000), wk = 0.0032787 k( 186) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032787 k( 187) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032787 k( 188) = ( 0.4933333 0.0133333 0.5000000), wk = 0.0032787 k( 189) = ( 0.4866667 0.0266667 0.5000000), wk = 0.0032787 k( 190) = ( 0.4800000 0.0400000 0.5000000), wk = 0.0032787 k( 191) = ( 0.4733333 0.0533333 0.5000000), wk = 0.0032787 k( 192) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0032787 k( 193) = ( 0.4600000 0.0800000 0.5000000), wk = 0.0032787 k( 194) = ( 0.4533333 0.0933333 0.5000000), wk = 0.0032787 k( 195) = ( 0.4466667 0.1066667 0.5000000), wk = 0.0032787 k( 196) = ( 0.4400000 0.1200000 0.5000000), wk = 0.0032787 k( 197) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0032787 k( 198) = ( 0.4266667 0.1466667 0.5000000), wk = 0.0032787 k( 199) = ( 0.4200000 0.1600000 0.5000000), wk = 0.0032787 k( 200) = ( 0.4133333 0.1733333 0.5000000), wk = 0.0032787 k( 201) = ( 0.4066667 0.1866667 0.5000000), wk = 0.0032787 k( 202) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0032787 k( 203) = ( 0.3933333 0.2133333 0.5000000), wk = 0.0032787 k( 204) = ( 0.3866667 0.2266667 0.5000000), wk = 0.0032787 k( 205) = ( 0.3800000 0.2400000 0.5000000), wk = 0.0032787 k( 206) = ( 0.3733333 0.2533333 0.5000000), wk = 0.0032787 k( 207) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0032787 k( 208) = ( 0.3600000 0.2800000 0.5000000), wk = 0.0032787 k( 209) = ( 0.3533333 0.2933333 0.5000000), wk = 0.0032787 k( 210) = ( 0.3466667 0.3066667 0.5000000), wk = 0.0032787 k( 211) = ( 0.3400000 0.3200000 0.5000000), wk = 0.0032787 k( 212) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032787 k( 213) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032787 k( 214) = ( 0.3266667 0.3266667 0.5000000), wk = 0.0032787 k( 215) = ( 0.3200000 0.3200000 0.5000000), wk = 0.0032787 k( 216) = ( 0.3133333 0.3133333 0.5000000), wk = 0.0032787 k( 217) = ( 0.3066667 0.3066667 0.5000000), wk = 0.0032787 k( 218) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0032787 k( 219) = ( 0.2933333 0.2933333 0.5000000), wk = 0.0032787 k( 220) = ( 0.2866667 0.2866667 0.5000000), wk = 0.0032787 k( 221) = ( 0.2800000 0.2800000 0.5000000), wk = 0.0032787 k( 222) = ( 0.2733333 0.2733333 0.5000000), wk = 0.0032787 k( 223) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0032787 k( 224) = ( 0.2600000 0.2600000 0.5000000), wk = 0.0032787 k( 225) = ( 0.2533333 0.2533333 0.5000000), wk = 0.0032787 k( 226) = ( 0.2466667 0.2466667 0.5000000), wk = 0.0032787 k( 227) = ( 0.2400000 0.2400000 0.5000000), wk = 0.0032787 k( 228) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0032787 k( 229) = ( 0.2266667 0.2266667 0.5000000), wk = 0.0032787 k( 230) = ( 0.2200000 0.2200000 0.5000000), wk = 0.0032787 k( 231) = ( 0.2133333 0.2133333 0.5000000), wk = 0.0032787 k( 232) = ( 0.2066667 0.2066667 0.5000000), wk = 0.0032787 k( 233) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0032787 k( 234) = ( 0.1933333 0.1933333 0.5000000), wk = 0.0032787 k( 235) = ( 0.1866667 0.1866667 0.5000000), wk = 0.0032787 k( 236) = ( 0.1800000 0.1800000 0.5000000), wk = 0.0032787 k( 237) = ( 0.1733333 0.1733333 0.5000000), wk = 0.0032787 k( 238) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0032787 k( 239) = ( 0.1600000 0.1600000 0.5000000), wk = 0.0032787 k( 240) = ( 0.1533333 0.1533333 0.5000000), wk = 0.0032787 k( 241) = ( 0.1466667 0.1466667 0.5000000), wk = 0.0032787 k( 242) = ( 0.1400000 0.1400000 0.5000000), wk = 0.0032787 k( 243) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0032787 k( 244) = ( 0.1266667 0.1266667 0.5000000), wk = 0.0032787 k( 245) = ( 0.1200000 0.1200000 0.5000000), wk = 0.0032787 k( 246) = ( 0.1133333 0.1133333 0.5000000), wk = 0.0032787 k( 247) = ( 0.1066667 0.1066667 0.5000000), wk = 0.0032787 k( 248) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0032787 k( 249) = ( 0.0933333 0.0933333 0.5000000), wk = 0.0032787 k( 250) = ( 0.0866667 0.0866667 0.5000000), wk = 0.0032787 k( 251) = ( 0.0800000 0.0800000 0.5000000), wk = 0.0032787 k( 252) = ( 0.0733333 0.0733333 0.5000000), wk = 0.0032787 k( 253) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0032787 k( 254) = ( 0.0600000 0.0600000 0.5000000), wk = 0.0032787 k( 255) = ( 0.0533333 0.0533333 0.5000000), wk = 0.0032787 k( 256) = ( 0.0466667 0.0466667 0.5000000), wk = 0.0032787 k( 257) = ( 0.0400000 0.0400000 0.5000000), wk = 0.0032787 k( 258) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0032787 k( 259) = ( 0.0266667 0.0266667 0.5000000), wk = 0.0032787 k( 260) = ( 0.0200000 0.0200000 0.5000000), wk = 0.0032787 k( 261) = ( 0.0133333 0.0133333 0.5000000), wk = 0.0032787 k( 262) = ( 0.0066667 0.0066667 0.5000000), wk = 0.0032787 k( 263) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032787 k( 264) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032787 k( 265) = ( 0.5000000 0.0000000 0.4750000), wk = 0.0032787 k( 266) = ( 0.5000000 0.0000000 0.4500000), wk = 0.0032787 k( 267) = ( 0.5000000 0.0000000 0.4250000), wk = 0.0032787 k( 268) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0032787 k( 269) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0032787 k( 270) = ( 0.5000000 0.0000000 0.3500000), wk = 0.0032787 k( 271) = ( 0.5000000 0.0000000 0.3250000), wk = 0.0032787 k( 272) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0032787 k( 273) = ( 0.5000000 0.0000000 0.2750000), wk = 0.0032787 k( 274) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0032787 k( 275) = ( 0.5000000 0.0000000 0.2250000), wk = 0.0032787 k( 276) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0032787 k( 277) = ( 0.5000000 0.0000000 0.1750000), wk = 0.0032787 k( 278) = ( 0.5000000 0.0000000 0.1500000), wk = 0.0032787 k( 279) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0032787 k( 280) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0032787 k( 281) = ( 0.5000000 0.0000000 0.0750000), wk = 0.0032787 k( 282) = ( 0.5000000 0.0000000 0.0500000), wk = 0.0032787 k( 283) = ( 0.5000000 0.0000000 0.0250000), wk = 0.0032787 k( 284) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0032787 k( 285) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0032787 k( 286) = ( 0.3333333 0.3333333 0.0250000), wk = 0.0032787 k( 287) = ( 0.3333333 0.3333333 0.0500000), wk = 0.0032787 k( 288) = ( 0.3333333 0.3333333 0.0750000), wk = 0.0032787 k( 289) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0032787 k( 290) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0032787 k( 291) = ( 0.3333333 0.3333333 0.1500000), wk = 0.0032787 k( 292) = ( 0.3333333 0.3333333 0.1750000), wk = 0.0032787 k( 293) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0032787 k( 294) = ( 0.3333333 0.3333333 0.2250000), wk = 0.0032787 k( 295) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0032787 k( 296) = ( 0.3333333 0.3333333 0.2750000), wk = 0.0032787 k( 297) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0032787 k( 298) = ( 0.3333333 0.3333333 0.3250000), wk = 0.0032787 k( 299) = ( 0.3333333 0.3333333 0.3500000), wk = 0.0032787 k( 300) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0032787 k( 301) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0032787 k( 302) = ( 0.3333333 0.3333333 0.4250000), wk = 0.0032787 k( 303) = ( 0.3333333 0.3333333 0.4500000), wk = 0.0032787 k( 304) = ( 0.3333333 0.3333333 0.4750000), wk = 0.0032787 k( 305) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032787 Dense grid: 122081 G-vectors FFT dimensions: ( 54, 54, 108) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.69 Mb ( 866, 52) NL pseudopotentials 1.27 Mb ( 433, 192) Each V/rho on FFT grid 0.13 Mb ( 8748) Each G-vector array 0.03 Mb ( 3395) G-vector shells 0.01 Mb ( 1578) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.75 Mb ( 866, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.30 Mb ( 192, 2, 52) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./Li2ZnSi.save/charge-density.dat Starting wfc are 92 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.9 secs Computing kpt #: 2 total cpu time spent up to now is 5.0 secs Computing kpt #: 3 total cpu time spent up to now is 6.1 secs Computing kpt #: 4 total cpu time spent up to now is 7.2 secs Computing kpt #: 5 total cpu time spent up to now is 8.4 secs Computing kpt #: 6 total cpu time spent up to now is 9.5 secs Computing kpt #: 7 total cpu time spent up to now is 10.6 secs Computing kpt #: 8 total cpu time spent up to now is 11.7 secs Computing kpt #: 9 total cpu time spent up to now is 12.8 secs Computing kpt #: 10 total cpu time spent up to now is 13.9 secs Computing kpt #: 11 total cpu time spent up to now is 15.0 secs Computing kpt #: 12 total cpu time spent up to now is 16.1 secs Computing kpt #: 13 total cpu time spent up to now is 17.2 secs Computing kpt #: 14 total cpu time spent up to now is 18.3 secs Computing kpt #: 15 total cpu time spent up to now is 19.4 secs Computing kpt #: 16 total cpu time spent up to now is 20.4 secs Computing kpt #: 17 total cpu time spent up to now is 21.5 secs Computing kpt #: 18 total cpu time spent up to now is 22.5 secs Computing kpt #: 19 total cpu time spent up to now is 23.5 secs Computing kpt #: 20 total cpu time spent up to now is 24.5 secs Computing kpt #: 21 total cpu time spent up to now is 25.5 secs Computing kpt #: 22 total cpu time spent up to now is 26.5 secs Computing kpt #: 23 total cpu time spent up to now is 27.5 secs Computing kpt #: 24 total cpu time spent up to now is 28.5 secs Computing kpt #: 25 total cpu time spent up to now is 29.5 secs Computing kpt #: 26 total cpu time spent up to now is 30.5 secs Computing kpt #: 27 total cpu time spent up to now is 31.5 secs Computing kpt #: 28 total cpu time spent up to now is 32.5 secs Computing kpt #: 29 total cpu time spent up to now is 33.5 secs Computing kpt #: 30 total cpu time spent up to now is 34.5 secs Computing kpt #: 31 total cpu time spent up to now is 35.6 secs Computing kpt #: 32 total cpu time spent up to now is 36.6 secs Computing kpt #: 33 total cpu time spent up to now is 37.6 secs Computing kpt #: 34 total cpu time spent up to now is 38.6 secs Computing kpt #: 35 total cpu time spent up to now is 39.6 secs Computing kpt #: 36 total cpu time spent up to now is 40.6 secs Computing kpt #: 37 total cpu time spent up to now is 41.7 secs Computing kpt #: 38 total cpu time spent up to now is 42.7 secs Computing kpt #: 39 total cpu time spent up to now is 43.7 secs Computing kpt #: 40 total cpu time spent up to now is 44.8 secs Computing kpt #: 41 total cpu time spent up to now is 45.8 secs Computing kpt #: 42 total cpu time spent up to now is 46.8 secs Computing kpt #: 43 total cpu time spent up to now is 47.9 secs Computing kpt #: 44 total cpu time spent up to now is 49.1 secs Computing kpt #: 45 total cpu time spent up to now is 50.3 secs Computing kpt #: 46 total cpu time spent up to now is 51.3 secs Computing kpt #: 47 total cpu time spent up to now is 52.5 secs Computing kpt #: 48 total cpu time spent up to now is 53.6 secs Computing kpt #: 49 total cpu time spent up to now is 54.6 secs Computing kpt #: 50 total cpu time spent up to now is 55.6 secs Computing kpt #: 51 total cpu time spent up to now is 56.7 secs Computing kpt #: 52 total cpu time spent up to now is 57.7 secs Computing kpt #: 53 total cpu time spent up to now is 58.6 secs Computing kpt #: 54 total cpu time spent up to now is 59.6 secs Computing kpt #: 55 total cpu time spent up to now is 60.6 secs Computing kpt #: 56 total cpu time spent up to now is 61.6 secs Computing kpt #: 57 total cpu time spent up to now is 62.6 secs Computing kpt #: 58 total cpu time spent up to now is 63.5 secs Computing kpt #: 59 total cpu time spent up to now is 64.5 secs Computing kpt #: 60 total cpu time spent up to now is 65.5 secs Computing kpt #: 61 total cpu time spent up to now is 66.5 secs Computing kpt #: 62 total cpu time spent up to now is 67.5 secs Computing kpt #: 63 total cpu time spent up to now is 68.6 secs Computing kpt #: 64 total cpu time spent up to now is 69.7 secs Computing kpt #: 65 total cpu time spent up to now is 70.9 secs Computing kpt #: 66 total cpu time spent up to now is 72.1 secs Computing kpt #: 67 total cpu time spent up to now is 73.6 secs Computing kpt #: 68 total cpu time spent up to now is 75.9 secs Computing kpt #: 69 total cpu time spent up to now is 78.2 secs Computing kpt #: 70 total cpu time spent up to now is 79.8 secs Computing kpt #: 71 total cpu time spent up to now is 81.1 secs Computing kpt #: 72 total cpu time spent up to now is 82.4 secs Computing kpt #: 73 total cpu time spent up to now is 83.7 secs Computing kpt #: 74 total cpu time spent up to now is 84.9 secs Computing kpt #: 75 total cpu time spent up to now is 86.2 secs Computing kpt #: 76 total cpu time spent up to now is 87.4 secs Computing kpt #: 77 total cpu time spent up to now is 88.6 secs Computing kpt #: 78 total cpu time spent up to now is 89.6 secs Computing kpt #: 79 total cpu time spent up to now is 90.6 secs Computing kpt #: 80 total cpu time spent up to now is 91.7 secs Computing kpt #: 81 total cpu time spent up to now is 92.7 secs Computing kpt #: 82 total cpu time spent up to now is 93.7 secs Computing kpt #: 83 total cpu time spent up to now is 94.7 secs Computing kpt #: 84 total cpu time spent up to now is 95.7 secs Computing kpt #: 85 total cpu time spent up to now is 96.7 secs Computing kpt #: 86 total cpu time spent up to now is 97.7 secs Computing kpt #: 87 total cpu time spent up to now is 98.7 secs Computing kpt #: 88 total cpu time spent up to now is 99.7 secs Computing kpt #: 89 total cpu time spent up to now is 100.7 secs Computing kpt #: 90 total cpu time spent up to now is 101.7 secs Computing kpt #: 91 total cpu time spent up to now is 102.6 secs Computing kpt #: 92 total cpu time spent up to now is 103.6 secs Computing kpt #: 93 total cpu time spent up to now is 104.6 secs Computing kpt #: 94 total cpu time spent up to now is 105.6 secs Computing kpt #: 95 total cpu time spent up to now is 106.5 secs Computing kpt #: 96 total cpu time spent up to now is 107.5 secs Computing kpt #: 97 total cpu time spent up to now is 108.5 secs Computing kpt #: 98 total cpu time spent up to now is 109.5 secs Computing kpt #: 99 total cpu time spent up to now is 110.4 secs Computing kpt #: 100 total cpu time spent up to now is 111.4 secs Computing kpt #: 101 total cpu time spent up to now is 112.4 secs Computing kpt #: 102 total cpu time spent up to now is 113.4 secs Computing kpt #: 103 total cpu time spent up to now is 114.4 secs Computing kpt #: 104 total cpu time spent up to now is 115.5 secs Computing kpt #: 105 total cpu time spent up to now is 116.5 secs Computing kpt #: 106 total cpu time spent up to now is 117.6 secs Computing kpt #: 107 total cpu time spent up to now is 118.6 secs Computing kpt #: 108 total cpu time spent up to now is 119.7 secs Computing kpt #: 109 total cpu time spent up to now is 120.8 secs Computing kpt #: 110 total cpu time spent up to now is 121.9 secs Computing kpt #: 111 total cpu time spent up to now is 123.0 secs Computing kpt #: 112 total cpu time spent up to now is 124.1 secs Computing kpt #: 113 total cpu time spent up to now is 125.2 secs Computing kpt #: 114 total cpu time spent up to now is 126.3 secs Computing kpt #: 115 total cpu time spent up to now is 127.4 secs Computing kpt #: 116 total cpu time spent up to now is 128.6 secs Computing kpt #: 117 total cpu time spent up to now is 129.7 secs Computing kpt #: 118 total cpu time spent up to now is 130.8 secs Computing kpt #: 119 total cpu time spent up to now is 131.9 secs Computing kpt #: 120 total cpu time spent up to now is 133.0 secs Computing kpt #: 121 total cpu time spent up to now is 134.1 secs Computing kpt #: 122 total cpu time spent up to now is 135.2 secs Computing kpt #: 123 total cpu time spent up to now is 136.3 secs Computing kpt #: 124 total cpu time spent up to now is 137.4 secs Computing kpt #: 125 total cpu time spent up to now is 138.5 secs Computing kpt #: 126 total cpu time spent up to now is 139.6 secs Computing kpt #: 127 total cpu time spent up to now is 140.7 secs Computing kpt #: 128 total cpu time spent up to now is 141.8 secs Computing kpt #: 129 total cpu time spent up to now is 142.9 secs Computing kpt #: 130 total cpu time spent up to now is 144.0 secs Computing kpt #: 131 total cpu time spent up to now is 145.1 secs Computing kpt #: 132 total cpu time spent up to now is 146.2 secs Computing kpt #: 133 total cpu time spent up to now is 147.2 secs Computing kpt #: 134 total cpu time spent up to now is 148.3 secs Computing kpt #: 135 total cpu time spent up to now is 149.4 secs Computing kpt #: 136 total cpu time spent up to now is 150.5 secs Computing kpt #: 137 total cpu time spent up to now is 151.6 secs Computing kpt #: 138 total cpu time spent up to now is 152.8 secs Computing kpt #: 139 total cpu time spent up to now is 153.9 secs Computing kpt #: 140 total cpu time spent up to now is 155.2 secs Computing kpt #: 141 total cpu time spent up to now is 156.4 secs Computing kpt #: 142 total cpu time spent up to now is 157.7 secs Computing kpt #: 143 total cpu time spent up to now is 158.8 secs Computing kpt #: 144 total cpu time spent up to now is 160.1 secs Computing kpt #: 145 total cpu time spent up to now is 161.2 secs Computing kpt #: 146 total cpu time spent up to now is 162.3 secs Computing kpt #: 147 total cpu time spent up to now is 163.4 secs Computing kpt #: 148 total cpu time spent up to now is 164.5 secs Computing kpt #: 149 total cpu time spent up to now is 165.6 secs Computing kpt #: 150 total cpu time spent up to now is 166.7 secs Computing kpt #: 151 total cpu time spent up to now is 167.8 secs Computing kpt #: 152 total cpu time spent up to now is 168.9 secs Computing kpt #: 153 total cpu time spent up to now is 170.1 secs Computing kpt #: 154 total cpu time spent up to now is 171.2 secs Computing kpt #: 155 total cpu time spent up to now is 172.2 secs Computing kpt #: 156 total cpu time spent up to now is 173.5 secs Computing kpt #: 157 total cpu time spent up to now is 174.7 secs Computing kpt #: 158 total cpu time spent up to now is 175.9 secs Computing kpt #: 159 total cpu time spent up to now is 177.2 secs Computing kpt #: 160 total cpu time spent up to now is 178.3 secs Computing kpt #: 161 total cpu time spent up to now is 179.3 secs Computing kpt #: 162 total cpu time spent up to now is 180.3 secs Computing kpt #: 163 total cpu time spent up to now is 181.4 secs Computing kpt #: 164 total cpu time spent up to now is 182.4 secs Computing kpt #: 165 total cpu time spent up to now is 183.4 secs Computing kpt #: 166 total cpu time spent up to now is 184.4 secs Computing kpt #: 167 total cpu time spent up to now is 185.3 secs Computing kpt #: 168 total cpu time spent up to now is 186.3 secs Computing kpt #: 169 total cpu time spent up to now is 187.3 secs Computing kpt #: 170 total cpu time spent up to now is 188.3 secs Computing kpt #: 171 total cpu time spent up to now is 189.2 secs Computing kpt #: 172 total cpu time spent up to now is 190.2 secs Computing kpt #: 173 total cpu time spent up to now is 191.2 secs Computing kpt #: 174 total cpu time spent up to now is 192.1 secs Computing kpt #: 175 total cpu time spent up to now is 193.1 secs Computing kpt #: 176 total cpu time spent up to now is 194.1 secs Computing kpt #: 177 total cpu time spent up to now is 195.0 secs Computing kpt #: 178 total cpu time spent up to now is 196.0 secs Computing kpt #: 179 total cpu time spent up to now is 197.0 secs Computing kpt #: 180 total cpu time spent up to now is 198.0 secs Computing kpt #: 181 total cpu time spent up to now is 198.9 secs Computing kpt #: 182 total cpu time spent up to now is 199.9 secs Computing kpt #: 183 total cpu time spent up to now is 200.9 secs Computing kpt #: 184 total cpu time spent up to now is 201.8 secs Computing kpt #: 185 total cpu time spent up to now is 202.8 secs Computing kpt #: 186 total cpu time spent up to now is 203.8 secs Computing kpt #: 187 total cpu time spent up to now is 204.7 secs Computing kpt #: 188 total cpu time spent up to now is 205.7 secs Computing kpt #: 189 total cpu time spent up to now is 206.6 secs Computing kpt #: 190 total cpu time spent up to now is 207.6 secs Computing kpt #: 191 total cpu time spent up to now is 208.6 secs Computing kpt #: 192 total cpu time spent up to now is 209.6 secs Computing kpt #: 193 total cpu time spent up to now is 210.6 secs Computing kpt #: 194 total cpu time spent up to now is 211.6 secs Computing kpt #: 195 total cpu time spent up to now is 212.7 secs Computing kpt #: 196 total cpu time spent up to now is 213.7 secs Computing kpt #: 197 total cpu time spent up to now is 214.7 secs Computing kpt #: 198 total cpu time spent up to now is 215.7 secs Computing kpt #: 199 total cpu time spent up to now is 216.7 secs Computing kpt #: 200 total cpu time spent up to now is 217.6 secs Computing kpt #: 201 total cpu time spent up to now is 218.6 secs Computing kpt #: 202 total cpu time spent up to now is 219.6 secs Computing kpt #: 203 total cpu time spent up to now is 220.5 secs Computing kpt #: 204 total cpu time spent up to now is 221.4 secs Computing kpt #: 205 total cpu time spent up to now is 222.3 secs Computing kpt #: 206 total cpu time spent up to now is 223.3 secs Computing kpt #: 207 total cpu time spent up to now is 224.2 secs Computing kpt #: 208 total cpu time spent up to now is 225.0 secs Computing kpt #: 209 total cpu time spent up to now is 225.9 secs Computing kpt #: 210 total cpu time spent up to now is 226.8 secs Computing kpt #: 211 total cpu time spent up to now is 227.7 secs Computing kpt #: 212 total cpu time spent up to now is 228.6 secs Computing kpt #: 213 total cpu time spent up to now is 229.4 secs Computing kpt #: 214 total cpu time spent up to now is 230.3 secs Computing kpt #: 215 total cpu time spent up to now is 231.2 secs Computing kpt #: 216 total cpu time spent up to now is 232.1 secs Computing kpt #: 217 total cpu time spent up to now is 233.0 secs Computing kpt #: 218 total cpu time spent up to now is 233.9 secs Computing kpt #: 219 total cpu time spent up to now is 234.8 secs Computing kpt #: 220 total cpu time spent up to now is 235.7 secs Computing kpt #: 221 total cpu time spent up to now is 236.6 secs Computing kpt #: 222 total cpu time spent up to now is 237.5 secs Computing kpt #: 223 total cpu time spent up to now is 238.5 secs Computing kpt #: 224 total cpu time spent up to now is 239.4 secs Computing kpt #: 225 total cpu time spent up to now is 240.3 secs Computing kpt #: 226 total cpu time spent up to now is 241.3 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 244.2 secs Computing kpt #: 230 total cpu time spent up to now is 245.2 secs Computing kpt #: 231 total cpu time spent up to now is 246.1 secs Computing kpt #: 232 total cpu time spent up to now is 247.1 secs Computing kpt #: 233 total cpu time spent up to now is 248.1 secs Computing kpt #: 234 total cpu time spent up to now is 249.2 secs Computing kpt #: 235 total cpu time spent up to now is 250.2 secs Computing kpt #: 236 total cpu time spent up to now is 251.2 secs Computing kpt #: 237 total cpu time spent up to now is 252.2 secs Computing kpt #: 238 total cpu time spent up to now is 253.2 secs Computing kpt #: 239 total cpu time spent up to now is 254.2 secs Computing kpt #: 240 total cpu time spent up to now is 255.3 secs Computing kpt #: 241 total cpu time spent up to now is 256.2 secs Computing kpt #: 242 total cpu time spent up to now is 257.2 secs Computing kpt #: 243 total cpu time spent up to now is 258.2 secs Computing kpt #: 244 total cpu time spent up to now is 259.2 secs Computing kpt #: 245 total cpu time spent up to now is 260.2 secs Computing kpt #: 246 total cpu time spent up to now is 261.3 secs Computing kpt #: 247 total cpu time spent up to now is 262.3 secs Computing kpt #: 248 total cpu time spent up to now is 263.3 secs Computing kpt #: 249 total cpu time spent up to now is 264.3 secs Computing kpt #: 250 total cpu time spent up to now is 265.3 secs Computing kpt #: 251 total cpu time spent up to now is 266.4 secs Computing kpt #: 252 total cpu time spent up to now is 267.5 secs Computing kpt #: 253 total cpu time spent up to now is 268.6 secs Computing kpt #: 254 total cpu time spent up to now is 269.7 secs Computing kpt #: 255 total cpu time spent up to now is 270.8 secs Computing kpt #: 256 total cpu time spent up to now is 271.9 secs Computing kpt #: 257 total cpu time spent up to now is 273.0 secs Computing kpt #: 258 total cpu time spent up to now is 274.1 secs Computing kpt #: 259 total cpu time spent up to now is 275.2 secs Computing kpt #: 260 total cpu time spent up to now is 276.3 secs Computing kpt #: 261 total cpu time spent up to now is 277.4 secs Computing kpt #: 262 total cpu time spent up to now is 278.7 secs Computing kpt #: 263 total cpu time spent up to now is 279.9 secs Computing kpt #: 264 total cpu time spent up to now is 280.9 secs Computing kpt #: 265 total cpu time spent up to now is 281.8 secs Computing kpt #: 266 total cpu time spent up to now is 282.8 secs Computing kpt #: 267 total cpu time spent up to now is 283.8 secs Computing kpt #: 268 total cpu time spent up to now is 284.7 secs Computing kpt #: 269 total cpu time spent up to now is 285.7 secs Computing kpt #: 270 total cpu time spent up to now is 286.7 secs Computing kpt #: 271 total cpu time spent up to now is 287.7 secs Computing kpt #: 272 total cpu time spent up to now is 288.6 secs Computing kpt #: 273 total cpu time spent up to now is 289.7 secs Computing kpt #: 274 total cpu time spent up to now is 290.7 secs Computing kpt #: 275 total cpu time spent up to now is 291.9 secs Computing kpt #: 276 total cpu time spent up to now is 293.3 secs Computing kpt #: 277 total cpu time spent up to now is 294.3 secs Computing kpt #: 278 total cpu time spent up to now is 295.4 secs Computing kpt #: 279 total cpu time spent up to now is 296.6 secs Computing kpt #: 280 total cpu time spent up to now is 297.6 secs Computing kpt #: 281 total cpu time spent up to now is 298.7 secs Computing kpt #: 282 total cpu time spent up to now is 299.7 secs Computing kpt #: 283 total cpu time spent up to now is 300.8 secs Computing kpt #: 284 total cpu time spent up to now is 301.9 secs Computing kpt #: 285 total cpu time spent up to now is 303.2 secs Computing kpt #: 286 total cpu time spent up to now is 304.5 secs Computing kpt #: 287 total cpu time spent up to now is 306.1 secs Computing kpt #: 288 total cpu time spent up to now is 307.6 secs Computing kpt #: 289 total cpu time spent up to now is 309.1 secs Computing kpt #: 290 total cpu time spent up to now is 310.3 secs Computing kpt #: 291 total cpu time spent up to now is 311.3 secs Computing kpt #: 292 total cpu time spent up to now is 312.3 secs Computing kpt #: 293 total cpu time spent up to now is 313.2 secs Computing kpt #: 294 total cpu time spent up to now is 314.2 secs Computing kpt #: 295 total cpu time spent up to now is 315.1 secs Computing kpt #: 296 total cpu time spent up to now is 316.0 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 317.8 secs Computing kpt #: 299 total cpu time spent up to now is 318.7 secs Computing kpt #: 300 total cpu time spent up to now is 319.6 secs Computing kpt #: 301 total cpu time spent up to now is 320.5 secs Computing kpt #: 302 total cpu time spent up to now is 321.4 secs Computing kpt #: 303 total cpu time spent up to now is 322.3 secs Computing kpt #: 304 total cpu time spent up to now is 323.1 secs Computing kpt #: 305 total cpu time spent up to now is 324.0 secs ethr = 2.27E-08, avg # of iterations = 18.5 total cpu time spent up to now is 324.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 15273 PWs) bands (ev): -40.6836 -40.6836 -40.6691 -40.6691 -40.4943 -40.4943 -40.4938 -40.4938 -3.7150 -3.7150 -2.9204 -2.9204 -2.0230 -2.0230 -2.0103 -2.0103 -2.0091 -2.0091 -2.0016 -2.0016 -1.7299 -1.7299 -1.6649 -1.6649 -1.6645 -1.6645 -1.5877 -1.5877 -1.5574 -1.5574 -1.5495 -1.5495 0.5349 0.5349 4.6070 4.6070 5.2936 5.2936 5.3234 5.3234 5.5755 5.5755 5.8766 5.8766 5.8975 5.8975 7.3298 7.3298 7.7676 7.7676 7.8028 7.8028 k = 0.0116 0.0067-0.0000 ( 15245 PWs) bands (ev): -40.6836 -40.6836 -40.6691 -40.6691 -40.4943 -40.4943 -40.4938 -40.4938 -3.7140 -3.7140 -2.9197 -2.9197 -2.0233 -2.0233 -2.0102 -2.0102 -2.0093 -2.0093 -2.0010 -2.0010 -1.7299 -1.7299 -1.6648 -1.6648 -1.6643 -1.6643 -1.5876 -1.5876 -1.5575 -1.5575 -1.5495 -1.5495 0.5360 0.5360 4.6020 4.6020 5.2858 5.2858 5.3154 5.3154 5.5757 5.5757 5.8693 5.8693 5.8916 5.8916 7.3326 7.3326 7.7627 7.7627 7.7996 7.7996 k = 0.0233 0.0134-0.0000 ( 15253 PWs) bands (ev): -40.6835 -40.6835 -40.6691 -40.6691 -40.4943 -40.4943 -40.4938 -40.4938 -3.7109 -3.7109 -2.9178 -2.9178 -2.0240 -2.0240 -2.0100 -2.0100 -2.0095 -2.0095 -1.9996 -1.9996 -1.7298 -1.7298 -1.6646 -1.6646 -1.6639 -1.6639 -1.5873 -1.5873 -1.5578 -1.5578 -1.5495 -1.5495 0.5394 0.5394 4.5865 4.5865 5.2628 5.2628 5.2929 5.2929 5.5765 5.5765 5.8423 5.8423 5.8794 5.8794 7.3387 7.3387 7.7481 7.7481 7.8069 7.8069 k = 0.0349 0.0201-0.0000 ( 15253 PWs) bands (ev): -40.6835 -40.6835 -40.6691 -40.6691 -40.4943 -40.4943 -40.4938 -40.4938 -3.7057 -3.7057 -2.9146 -2.9146 -2.0251 -2.0251 -2.0101 -2.0101 -2.0093 -2.0093 -1.9975 -1.9975 -1.7296 -1.7296 -1.6644 -1.6644 -1.6633 -1.6633 -1.5868 -1.5868 -1.5583 -1.5583 -1.5495 -1.5495 0.5450 0.5450 4.5590 4.5590 5.2266 5.2266 5.2591 5.2591 5.5773 5.5773 5.7944 5.7944 5.8637 5.8637 7.3416 7.3416 7.7412 7.7412 7.8293 7.8293 k = 0.0465 0.0269-0.0000 ( 15249 PWs) bands (ev): -40.6834 -40.6834 -40.6691 -40.6691 -40.4944 -40.4944 -40.4938 -40.4938 -3.6985 -3.6985 -2.9102 -2.9102 -2.0264 -2.0264 -2.0103 -2.0103 -2.0087 -2.0087 -1.9949 -1.9949 -1.7293 -1.7293 -1.6640 -1.6640 -1.6624 -1.6624 -1.5861 -1.5861 -1.5590 -1.5590 -1.5494 -1.5494 0.5528 0.5528 4.5175 4.5175 5.1821 5.1821 5.2164 5.2164 5.5748 5.5748 5.7327 5.7327 5.8426 5.8426 7.3353 7.3353 7.7522 7.7522 7.8645 7.8645 k = 0.0581 0.0336-0.0000 ( 15239 PWs) bands (ev): -40.6833 -40.6833 -40.6691 -40.6691 -40.4944 -40.4944 -40.4939 -40.4939 -3.6893 -3.6893 -2.9046 -2.9046 -2.0278 -2.0278 -2.0105 -2.0105 -2.0079 -2.0079 -1.9919 -1.9919 -1.7289 -1.7289 -1.6635 -1.6635 -1.6612 -1.6612 -1.5852 -1.5852 -1.5599 -1.5599 -1.5492 -1.5492 0.5628 0.5628 4.4600 4.4600 5.1349 5.1349 5.1668 5.1668 5.5546 5.5546 5.6751 5.6751 5.8155 5.8155 7.3181 7.3181 7.7778 7.7778 7.9123 7.9123 k = 0.0698 0.0403-0.0000 ( 15245 PWs) bands (ev): -40.6832 -40.6832 -40.6691 -40.6691 -40.4944 -40.4944 -40.4939 -40.4939 -3.6780 -3.6780 -2.8978 -2.8978 -2.0292 -2.0292 -2.0107 -2.0107 -2.0070 -2.0070 -1.9886 -1.9886 -1.7284 -1.7284 -1.6630 -1.6630 -1.6598 -1.6598 -1.5841 -1.5841 -1.5610 -1.5610 -1.5489 -1.5489 0.5750 0.5750 4.3854 4.3854 5.0888 5.0888 5.1127 5.1127 5.4901 5.4901 5.6516 5.6516 5.7823 5.7823 7.2923 7.2923 7.8088 7.8088 7.9722 7.9722 k = 0.0814 0.0470-0.0000 ( 15235 PWs) bands (ev): -40.6831 -40.6831 -40.6691 -40.6691 -40.4945 -40.4945 -40.4939 -40.4939 -3.6647 -3.6647 -2.8898 -2.8898 -2.0306 -2.0306 -2.0107 -2.0107 -2.0061 -2.0061 -1.9850 -1.9850 -1.7278 -1.7278 -1.6623 -1.6623 -1.6582 -1.6582 -1.5828 -1.5828 -1.5623 -1.5623 -1.5485 -1.5485 0.5893 0.5893 4.2943 4.2943 5.0390 5.0390 5.0617 5.0617 5.3935 5.3935 5.6539 5.6539 5.7433 5.7433 7.2607 7.2607 7.8372 7.8372 8.0436 8.0436 k = 0.0930 0.0537-0.0000 ( 15231 PWs) bands (ev): -40.6830 -40.6830 -40.6690 -40.6690 -40.4945 -40.4945 -40.4940 -40.4940 -3.6495 -3.6495 -2.8808 -2.8808 -2.0319 -2.0319 -2.0107 -2.0107 -2.0050 -2.0050 -1.9811 -1.9811 -1.7271 -1.7271 -1.6616 -1.6616 -1.6565 -1.6565 -1.5814 -1.5814 -1.5635 -1.5635 -1.5479 -1.5479 0.6058 0.6058 4.1885 4.1885 4.9781 4.9781 5.0201 5.0201 5.2865 5.2865 5.6655 5.6655 5.6995 5.6995 7.2250 7.2250 7.8597 7.8597 8.1256 8.1256 k = 0.1047 0.0604-0.0000 ( 15233 PWs) bands (ev): -40.6829 -40.6829 -40.6690 -40.6690 -40.4946 -40.4946 -40.4941 -40.4941 -3.6323 -3.6323 -2.8707 -2.8707 -2.0332 -2.0332 -2.0106 -2.0106 -2.0037 -2.0037 -1.9770 -1.9770 -1.7262 -1.7262 -1.6609 -1.6609 -1.6546 -1.6546 -1.5801 -1.5801 -1.5644 -1.5644 -1.5472 -1.5472 0.6244 0.6244 4.0709 4.0709 4.9118 4.9118 4.9752 4.9752 5.1834 5.1834 5.6509 5.6509 5.6820 5.6820 7.1866 7.1866 7.8760 7.8760 8.2168 8.2168 k = 0.1163 0.0671-0.0000 ( 15235 PWs) bands (ev): -40.6827 -40.6827 -40.6690 -40.6690 -40.4947 -40.4947 -40.4941 -40.4941 -3.6132 -3.6132 -2.8597 -2.8597 -2.0344 -2.0344 -2.0105 -2.0105 -2.0024 -2.0024 -1.9727 -1.9727 -1.7252 -1.7252 -1.6601 -1.6601 -1.6526 -1.6526 -1.5793 -1.5793 -1.5645 -1.5645 -1.5462 -1.5462 0.6450 0.6450 3.9441 3.9441 4.8430 4.8430 4.9073 4.9073 5.1037 5.1037 5.5995 5.5995 5.7006 5.7006 7.1460 7.1460 7.8872 7.8872 8.3160 8.3160 k = 0.1279 0.0738-0.0000 ( 15231 PWs) bands (ev): -40.6825 -40.6825 -40.6690 -40.6690 -40.4948 -40.4948 -40.4942 -40.4942 -3.5922 -3.5922 -2.8477 -2.8477 -2.0355 -2.0355 -2.0104 -2.0104 -2.0009 -2.0009 -1.9680 -1.9680 -1.7240 -1.7240 -1.6592 -1.6592 -1.6506 -1.6506 -1.5795 -1.5795 -1.5633 -1.5633 -1.5450 -1.5450 0.6676 0.6676 3.8107 3.8107 4.7727 4.7727 4.8061 4.8061 5.0580 5.0580 5.5454 5.5454 5.7213 5.7213 7.1037 7.1037 7.8943 7.8943 8.4215 8.4215 k = 0.1395 0.0806-0.0000 ( 15221 PWs) bands (ev): -40.6823 -40.6823 -40.6690 -40.6690 -40.4948 -40.4948 -40.4943 -40.4943 -3.5694 -3.5694 -2.8349 -2.8349 -2.0364 -2.0364 -2.0102 -2.0102 -1.9993 -1.9993 -1.9632 -1.9632 -1.7227 -1.7227 -1.6584 -1.6584 -1.6485 -1.6485 -1.5808 -1.5808 -1.5607 -1.5607 -1.5434 -1.5434 0.6922 0.6922 3.6726 3.6726 4.6821 4.6821 4.7038 4.7038 5.0336 5.0336 5.4895 5.4895 5.7435 5.7435 7.0603 7.0603 7.8983 7.8983 8.5313 8.5313 k = 0.1512 0.0873-0.0000 ( 15217 PWs) bands (ev): -40.6821 -40.6821 -40.6690 -40.6690 -40.4949 -40.4949 -40.4944 -40.4944 -3.5449 -3.5449 -2.8214 -2.8214 -2.0373 -2.0373 -2.0100 -2.0100 -1.9974 -1.9974 -1.9581 -1.9581 -1.7212 -1.7212 -1.6576 -1.6576 -1.6464 -1.6464 -1.5828 -1.5828 -1.5574 -1.5574 -1.5411 -1.5411 0.7186 0.7186 3.5313 3.5313 4.5514 4.5514 4.6326 4.6326 5.0185 5.0185 5.4324 5.4324 5.7666 5.7666 7.0163 7.0163 7.8995 7.8995 8.6423 8.6423 k = 0.1628 0.0940-0.0000 ( 15225 PWs) bands (ev): -40.6819 -40.6819 -40.6690 -40.6690 -40.4950 -40.4950 -40.4945 -40.4945 -3.5187 -3.5187 -2.8073 -2.8073 -2.0380 -2.0380 -2.0098 -2.0098 -1.9955 -1.9955 -1.9527 -1.9527 -1.7195 -1.7195 -1.6568 -1.6568 -1.6443 -1.6443 -1.5853 -1.5853 -1.5538 -1.5538 -1.5376 -1.5376 0.7469 0.7469 3.3879 3.3879 4.4164 4.4164 4.5624 4.5624 5.0076 5.0076 5.3746 5.3746 5.7901 5.7901 6.9723 6.9723 7.8983 7.8983 8.7068 8.7068 k = 0.1744 0.1007-0.0000 ( 15237 PWs) bands (ev): -40.6817 -40.6817 -40.6690 -40.6690 -40.4951 -40.4951 -40.4946 -40.4946 -3.4909 -3.4909 -2.7927 -2.7927 -2.0386 -2.0386 -2.0096 -2.0096 -1.9933 -1.9933 -1.9471 -1.9471 -1.7177 -1.7177 -1.6560 -1.6560 -1.6423 -1.6423 -1.5880 -1.5880 -1.5507 -1.5507 -1.5324 -1.5324 0.7768 0.7768 3.2434 3.2434 4.2801 4.2801 4.4931 4.4931 4.9981 4.9981 5.3167 5.3167 5.8136 5.8136 6.9293 6.9293 7.8948 7.8948 8.6585 8.6585 k = 0.1860 0.1074-0.0000 ( 15245 PWs) bands (ev): -40.6814 -40.6814 -40.6691 -40.6691 -40.4952 -40.4952 -40.4947 -40.4947 -3.4615 -3.4615 -2.7776 -2.7776 -2.0390 -2.0390 -2.0094 -2.0094 -1.9909 -1.9909 -1.9412 -1.9412 -1.7156 -1.7156 -1.6554 -1.6554 -1.6403 -1.6403 -1.5908 -1.5908 -1.5482 -1.5482 -1.5252 -1.5252 0.8083 0.8083 3.0985 3.0985 4.1437 4.1437 4.4249 4.4249 4.9885 4.9885 5.2590 5.2590 5.8365 5.8365 6.8883 6.8883 7.8891 7.8891 8.5973 8.5973 k = 0.1977 0.1141-0.0000 ( 15263 PWs) bands (ev): -40.6812 -40.6812 -40.6691 -40.6691 -40.4954 -40.4954 -40.4948 -40.4948 -3.4307 -3.4307 -2.7623 -2.7623 -2.0394 -2.0394 -2.0093 -2.0093 -1.9883 -1.9883 -1.9350 -1.9350 -1.7133 -1.7133 -1.6548 -1.6548 -1.6383 -1.6383 -1.5937 -1.5937 -1.5462 -1.5462 -1.5162 -1.5162 0.8413 0.8413 2.9539 2.9539 4.0083 4.0083 4.3581 4.3581 4.9775 4.9775 5.2020 5.2020 5.8580 5.8580 6.8505 6.8505 7.8810 7.8810 8.5311 8.5311 k = 0.2093 0.1208-0.0000 ( 15255 PWs) bands (ev): -40.6809 -40.6809 -40.6691 -40.6691 -40.4955 -40.4955 -40.4949 -40.4949 -3.3986 -3.3986 -2.7467 -2.7467 -2.0396 -2.0396 -2.0091 -2.0091 -1.9855 -1.9855 -1.9285 -1.9285 -1.7109 -1.7109 -1.6544 -1.6544 -1.6364 -1.6364 -1.5965 -1.5965 -1.5445 -1.5445 -1.5055 -1.5055 0.8755 0.8755 2.8100 2.8100 3.8745 3.8745 4.2927 4.2927 4.9641 4.9641 5.1458 5.1458 5.8777 5.8777 6.8175 6.8175 7.8705 7.8705 8.4650 8.4650 k = 0.2209 0.1276-0.0000 ( 15240 PWs) bands (ev): -40.6807 -40.6807 -40.6691 -40.6691 -40.4956 -40.4956 -40.4950 -40.4950 -3.3652 -3.3652 -2.7311 -2.7311 -2.0397 -2.0397 -2.0090 -2.0090 -1.9824 -1.9824 -1.9218 -1.9218 -1.7082 -1.7082 -1.6541 -1.6541 -1.6346 -1.6346 -1.5991 -1.5991 -1.5429 -1.5429 -1.4933 -1.4933 0.9109 0.9109 2.6673 2.6673 3.7430 3.7430 4.2291 4.2291 4.9471 4.9471 5.0909 5.0909 5.8950 5.8950 6.7906 6.7906 7.8574 7.8574 8.4019 8.4019 k = 0.2326 0.1343-0.0000 ( 15250 PWs) bands (ev): -40.6804 -40.6804 -40.6691 -40.6691 -40.4957 -40.4957 -40.4951 -40.4951 -3.3308 -3.3308 -2.7156 -2.7156 -2.0397 -2.0397 -2.0090 -2.0090 -1.9791 -1.9791 -1.9148 -1.9148 -1.7054 -1.7054 -1.6539 -1.6539 -1.6330 -1.6330 -1.6015 -1.6015 -1.5414 -1.5414 -1.4795 -1.4795 0.9470 0.9470 2.5262 2.5262 3.6143 3.6143 4.1672 4.1672 4.9256 4.9256 5.0372 5.0372 5.9096 5.9096 6.7712 6.7712 7.8416 7.8416 8.3437 8.3437 k = 0.2442 0.1410-0.0000 ( 15246 PWs) bands (ev): -40.6801 -40.6801 -40.6691 -40.6691 -40.4958 -40.4958 -40.4952 -40.4952 -3.2954 -3.2954 -2.7003 -2.7003 -2.0396 -2.0396 -2.0089 -2.0089 -1.9755 -1.9755 -1.9076 -1.9076 -1.7024 -1.7024 -1.6539 -1.6539 -1.6316 -1.6316 -1.6033 -1.6033 -1.5398 -1.5398 -1.4643 -1.4643 0.9836 0.9836 2.3870 2.3870 3.4889 3.4889 4.1074 4.1074 4.8986 4.8986 4.9852 4.9852 5.9214 5.9214 6.7604 6.7604 7.8230 7.8230 8.2914 8.2914 k = 0.2558 0.1477-0.0000 ( 15248 PWs) bands (ev): -40.6798 -40.6798 -40.6692 -40.6692 -40.4959 -40.4959 -40.4953 -40.4953 -3.2592 -3.2592 -2.6852 -2.6852 -2.0394 -2.0394 -2.0090 -2.0090 -1.9717 -1.9717 -1.9001 -1.9001 -1.6992 -1.6992 -1.6540 -1.6540 -1.6305 -1.6305 -1.6045 -1.6045 -1.5381 -1.5381 -1.4477 -1.4477 1.0204 1.0204 2.2501 2.2501 3.3674 3.3674 4.0497 4.0497 4.8653 4.8653 4.9348 4.9348 5.9309 5.9309 6.7587 6.7587 7.8018 7.8018 8.2454 8.2454 k = 0.2674 0.1544-0.0000 ( 15238 PWs) bands (ev): -40.6795 -40.6795 -40.6692 -40.6692 -40.4960 -40.4960 -40.4954 -40.4954 -3.2224 -3.2224 -2.6706 -2.6706 -2.0390 -2.0390 -2.0090 -2.0090 -1.9676 -1.9676 -1.8923 -1.8923 -1.6959 -1.6959 -1.6544 -1.6544 -1.6298 -1.6298 -1.6047 -1.6047 -1.5362 -1.5362 -1.4296 -1.4296 1.0567 1.0567 2.1158 2.1158 3.2506 3.2506 3.9941 3.9941 4.8252 4.8252 4.8862 4.8862 5.9388 5.9388 6.7661 6.7661 7.7784 7.7784 8.2056 8.2056 k = 0.2791 0.1611-0.0000 ( 15246 PWs) bands (ev): -40.6792 -40.6792 -40.6693 -40.6693 -40.4961 -40.4961 -40.4955 -40.4955 -3.1851 -3.1851 -2.6565 -2.6565 -2.0386 -2.0386 -2.0091 -2.0091 -1.9633 -1.9633 -1.8843 -1.8843 -1.6925 -1.6925 -1.6548 -1.6548 -1.6298 -1.6298 -1.6038 -1.6038 -1.5342 -1.5342 -1.4102 -1.4102 1.0920 1.0920 1.9846 1.9846 3.1389 3.1389 3.9408 3.9408 4.7780 4.7780 4.8393 4.8393 5.9460 5.9460 6.7822 6.7822 7.7533 7.7533 8.1716 8.1716 k = 0.2907 0.1678-0.0000 ( 15240 PWs) bands (ev): -40.6789 -40.6789 -40.6693 -40.6693 -40.4962 -40.4962 -40.4956 -40.4956 -3.1477 -3.1477 -2.6430 -2.6430 -2.0381 -2.0381 -2.0093 -2.0093 -1.9588 -1.9588 -1.8760 -1.8760 -1.6892 -1.6892 -1.6554 -1.6554 -1.6301 -1.6301 -1.6017 -1.6017 -1.5319 -1.5319 -1.3895 -1.3895 1.1253 1.1253 1.8570 1.8570 3.0334 3.0334 3.8899 3.8899 4.7237 4.7237 4.7943 4.7943 5.9537 5.9537 6.8059 6.8059 7.7274 7.7274 8.1428 8.1428 k = 0.3023 0.1745-0.0000 ( 15252 PWs) bands (ev): -40.6786 -40.6786 -40.6693 -40.6693 -40.4964 -40.4964 -40.4957 -40.4957 -3.1102 -3.1102 -2.6303 -2.6303 -2.0376 -2.0376 -2.0096 -2.0096 -1.9542 -1.9542 -1.8675 -1.8675 -1.6859 -1.6859 -1.6561 -1.6561 -1.6308 -1.6308 -1.5985 -1.5985 -1.5292 -1.5292 -1.3677 -1.3677 1.1554 1.1554 1.7339 1.7339 2.9350 2.9350 3.8413 3.8413 4.6624 4.6624 4.7514 4.7514 5.9627 5.9627 6.8363 6.8363 7.7013 7.7013 8.1183 8.1183 k = 0.3140 0.1813-0.0000 ( 15262 PWs) bands (ev): -40.6783 -40.6783 -40.6694 -40.6694 -40.4965 -40.4965 -40.4959 -40.4959 -3.0730 -3.0730 -2.6183 -2.6183 -2.0369 -2.0369 -2.0098 -2.0098 -1.9494 -1.9494 -1.8589 -1.8589 -1.6829 -1.6829 -1.6568 -1.6568 -1.6315 -1.6315 -1.5942 -1.5942 -1.5260 -1.5260 -1.3449 -1.3449 1.1803 1.1803 1.6164 1.6164 2.8447 2.8447 3.7953 3.7953 4.5948 4.5948 4.7106 4.7106 5.9736 5.9736 6.8721 6.8721 7.6760 7.6760 8.0974 8.0974 k = 0.3256 0.1880-0.0000 ( 15262 PWs) bands (ev): -40.6780 -40.6780 -40.6695 -40.6695 -40.4966 -40.4966 -40.4960 -40.4960 -3.0363 -3.0363 -2.6072 -2.6072 -2.0362 -2.0362 -2.0102 -2.0102 -1.9446 -1.9446 -1.8502 -1.8502 -1.6803 -1.6803 -1.6576 -1.6576 -1.6322 -1.6322 -1.5890 -1.5890 -1.5219 -1.5219 -1.3213 -1.3213 1.1963 1.1963 1.5075 1.5075 2.7639 2.7639 3.7518 3.7518 4.5214 4.5214 4.6721 4.6721 5.9868 5.9868 6.9120 6.9120 7.6519 7.6519 8.0795 8.0795 k = 0.3372 0.1947-0.0000 ( 15252 PWs) bands (ev): -40.6777 -40.6777 -40.6695 -40.6695 -40.4967 -40.4967 -40.4960 -40.4960 -3.0004 -3.0004 -2.5969 -2.5969 -2.0355 -2.0355 -2.0106 -2.0106 -1.9398 -1.9398 -1.8415 -1.8415 -1.6783 -1.6783 -1.6582 -1.6582 -1.6327 -1.6327 -1.5830 -1.5830 -1.5168 -1.5168 -1.2972 -1.2972 1.1955 1.1955 1.4144 1.4144 2.6940 2.6940 3.7109 3.7109 4.4432 4.4432 4.6359 4.6359 6.0022 6.0022 6.9550 6.9550 7.6299 7.6299 8.0641 8.0641 k = 0.3488 0.2014-0.0000 ( 15244 PWs) bands (ev): -40.6774 -40.6774 -40.6696 -40.6696 -40.4968 -40.4968 -40.4961 -40.4961 -2.9655 -2.9655 -2.5876 -2.5876 -2.0347 -2.0347 -2.0111 -2.0111 -1.9350 -1.9350 -1.8329 -1.8329 -1.6770 -1.6770 -1.6586 -1.6586 -1.6331 -1.6331 -1.5765 -1.5765 -1.5100 -1.5100 -1.2729 -1.2729 1.1627 1.1627 1.3514 1.3514 2.6362 2.6362 3.6726 3.6726 4.3611 4.3611 4.6020 4.6020 6.0198 6.0198 6.9998 6.9998 7.6103 7.6103 8.0509 8.0509 k = 0.3605 0.2081-0.0000 ( 15260 PWs) bands (ev): -40.6772 -40.6772 -40.6697 -40.6697 -40.4969 -40.4969 -40.4962 -40.4962 -2.9319 -2.9319 -2.5793 -2.5793 -2.0338 -2.0338 -2.0116 -2.0116 -1.9304 -1.9304 -1.8244 -1.8244 -1.6764 -1.6764 -1.6589 -1.6589 -1.6331 -1.6331 -1.5700 -1.5700 -1.5010 -1.5010 -1.2489 -1.2489 1.0948 1.0948 1.3211 1.3211 2.5918 2.5918 3.6370 3.6370 4.2761 4.2761 4.5705 4.5705 6.0392 6.0392 7.0451 7.0451 7.5937 7.5937 8.0398 8.0398 k = 0.3721 0.2148-0.0000 ( 15268 PWs) bands (ev): -40.6769 -40.6769 -40.6698 -40.6698 -40.4970 -40.4970 -40.4963 -40.4963 -2.8999 -2.8999 -2.5719 -2.5719 -2.0329 -2.0329 -2.0122 -2.0122 -1.9260 -1.9260 -1.8163 -1.8163 -1.6763 -1.6763 -1.6590 -1.6590 -1.6330 -1.6330 -1.5638 -1.5638 -1.4890 -1.4890 -1.2256 -1.2256 1.0111 1.0111 1.3040 1.3040 2.5617 2.5617 3.6041 3.6041 4.1891 4.1891 4.5414 4.5414 6.0599 6.0599 7.0898 7.0898 7.5804 7.5804 8.0309 8.0309 k = 0.3837 0.2215-0.0000 ( 15264 PWs) bands (ev): -40.6766 -40.6766 -40.6698 -40.6698 -40.4970 -40.4970 -40.4964 -40.4964 -2.8696 -2.8696 -2.5654 -2.5654 -2.0320 -2.0320 -2.0128 -2.0128 -1.9219 -1.9219 -1.8086 -1.8086 -1.6768 -1.6768 -1.6592 -1.6592 -1.6328 -1.6328 -1.5585 -1.5585 -1.4739 -1.4739 -1.2036 -1.2036 0.9251 0.9251 1.2871 1.2871 2.5458 2.5458 3.5739 3.5739 4.1011 4.1011 4.5148 4.5148 6.0817 6.0817 7.1323 7.1323 7.5706 7.5706 8.0245 8.0245 k = 0.3953 0.2283-0.0000 ( 15282 PWs) bands (ev): -40.6764 -40.6764 -40.6699 -40.6699 -40.4971 -40.4971 -40.4965 -40.4965 -2.8414 -2.8414 -2.5599 -2.5599 -2.0310 -2.0310 -2.0136 -2.0136 -1.9180 -1.9180 -1.8015 -1.8015 -1.6775 -1.6775 -1.6593 -1.6593 -1.6324 -1.6324 -1.5541 -1.5541 -1.4553 -1.4553 -1.1834 -1.1834 0.8423 0.8423 1.2664 1.2664 2.5437 2.5437 3.5466 3.5466 4.0128 4.0128 4.4907 4.4907 6.1038 6.1038 7.1715 7.1715 7.5645 7.5645 8.0212 8.0212 k = 0.4070 0.2350-0.0000 ( 15268 PWs) bands (ev): -40.6761 -40.6761 -40.6700 -40.6700 -40.4972 -40.4972 -40.4965 -40.4965 -2.8155 -2.8155 -2.5553 -2.5553 -2.0300 -2.0300 -2.0143 -2.0143 -1.9144 -1.9144 -1.7950 -1.7950 -1.6783 -1.6783 -1.6596 -1.6596 -1.6320 -1.6320 -1.5505 -1.5505 -1.4338 -1.4338 -1.1657 -1.1657 0.7650 0.7650 1.2416 1.2416 2.5539 2.5539 3.5220 3.5220 3.9253 3.9253 4.4690 4.4690 6.1258 6.1258 7.2062 7.2062 7.5618 7.5618 8.0216 8.0216 k = 0.4186 0.2417-0.0000 ( 15262 PWs) bands (ev): -40.6759 -40.6759 -40.6701 -40.6701 -40.4972 -40.4972 -40.4966 -40.4966 -2.7921 -2.7921 -2.5516 -2.5516 -2.0290 -2.0290 -2.0151 -2.0151 -1.9113 -1.9113 -1.7891 -1.7891 -1.6792 -1.6792 -1.6599 -1.6599 -1.6315 -1.6315 -1.5477 -1.5477 -1.4097 -1.4097 -1.1511 -1.1511 0.6945 0.6945 1.2138 1.2138 2.5746 2.5746 3.5003 3.5003 3.8397 3.8397 4.4498 4.4498 6.1470 6.1470 7.2355 7.2355 7.5619 7.5619 8.0264 8.0264 k = 0.4302 0.2484-0.0000 ( 15260 PWs) bands (ev): -40.6757 -40.6757 -40.6702 -40.6702 -40.4973 -40.4973 -40.4966 -40.4966 -2.7713 -2.7713 -2.5487 -2.5487 -2.0280 -2.0280 -2.0159 -2.0159 -1.9085 -1.9085 -1.7841 -1.7841 -1.6800 -1.6800 -1.6603 -1.6603 -1.6311 -1.6311 -1.5455 -1.5455 -1.3837 -1.3837 -1.1402 -1.1402 0.6319 0.6319 1.1847 1.1847 2.6036 2.6036 3.4814 3.4814 3.7570 3.7570 4.4332 4.4332 6.1670 6.1670 7.2593 7.2593 7.5637 7.5637 8.0360 8.0360 k = 0.4419 0.2551-0.0000 ( 15246 PWs) bands (ev): -40.6755 -40.6755 -40.6702 -40.6702 -40.4973 -40.4973 -40.4967 -40.4967 -2.7533 -2.7533 -2.5465 -2.5465 -2.0270 -2.0270 -2.0168 -2.0168 -1.9061 -1.9061 -1.7798 -1.7798 -1.6808 -1.6808 -1.6606 -1.6606 -1.6307 -1.6307 -1.5437 -1.5437 -1.3567 -1.3567 -1.1334 -1.1334 0.5778 0.5778 1.1563 1.1563 2.6382 2.6382 3.4654 3.4654 3.6788 3.6788 4.4191 4.4191 6.1850 6.1850 7.2778 7.2778 7.5660 7.5660 8.0501 8.0501 k = 0.4535 0.2618-0.0000 ( 15254 PWs) bands (ev): -40.6754 -40.6754 -40.6703 -40.6703 -40.4974 -40.4974 -40.4967 -40.4967 -2.7383 -2.7383 -2.5450 -2.5450 -2.0259 -2.0259 -2.0177 -2.0177 -1.9041 -1.9041 -1.7762 -1.7762 -1.6815 -1.6815 -1.6610 -1.6610 -1.6304 -1.6304 -1.5424 -1.5424 -1.3298 -1.3298 -1.1307 -1.1307 0.5330 0.5330 1.1302 1.1302 2.6755 2.6755 3.4523 3.4523 3.6071 3.6071 4.4075 4.4075 6.2007 6.2007 7.2918 7.2918 7.5678 7.5678 8.0676 8.0676 k = 0.4651 0.2685-0.0000 ( 15254 PWs) bands (ev): -40.6753 -40.6753 -40.6704 -40.6704 -40.4974 -40.4974 -40.4967 -40.4967 -2.7264 -2.7264 -2.5439 -2.5439 -2.0249 -2.0249 -2.0187 -2.0187 -1.9026 -1.9026 -1.7735 -1.7735 -1.6820 -1.6820 -1.6613 -1.6613 -1.6302 -1.6302 -1.5414 -1.5414 -1.3044 -1.3044 -1.1319 -1.1319 0.4977 0.4977 1.1082 1.1082 2.7121 2.7121 3.4421 3.4421 3.5446 3.5446 4.3985 4.3985 6.2135 6.2135 7.3020 7.3020 7.5687 7.5687 8.0864 8.0864 k = 0.4767 0.2752-0.0000 ( 15246 PWs) bands (ev): -40.6752 -40.6752 -40.6704 -40.6704 -40.4974 -40.4974 -40.4968 -40.4968 -2.7178 -2.7178 -2.5433 -2.5433 -2.0238 -2.0238 -2.0197 -2.0197 -1.9015 -1.9015 -1.7716 -1.7716 -1.6823 -1.6823 -1.6616 -1.6616 -1.6300 -1.6300 -1.5407 -1.5407 -1.2824 -1.2824 -1.1358 -1.1358 0.4724 0.4724 1.0914 1.0914 2.7437 2.7437 3.4348 3.4348 3.4948 3.4948 4.3921 4.3921 6.2229 6.2229 7.3089 7.3089 7.5688 7.5688 8.1034 8.1034 k = 0.4884 0.2820-0.0000 ( 15258 PWs) bands (ev): -40.6751 -40.6751 -40.6704 -40.6704 -40.4974 -40.4974 -40.4968 -40.4968 -2.7126 -2.7126 -2.5430 -2.5430 -2.0228 -2.0228 -2.0207 -2.0207 -1.9008 -1.9008 -1.7704 -1.7704 -1.6826 -1.6826 -1.6617 -1.6617 -1.6299 -1.6299 -1.5403 -1.5403 -1.2669 -1.2669 -1.1403 -1.1403 0.4571 0.4571 1.0810 1.0810 2.7655 2.7655 3.4304 3.4304 3.4622 3.4622 4.3882 4.3882 6.2287 6.2287 7.3129 7.3129 7.5686 7.5686 8.1153 8.1153 k = 0.5000 0.2887-0.0000 ( 15246 PWs) bands (ev): -40.6751 -40.6751 -40.6704 -40.6704 -40.4975 -40.4975 -40.4968 -40.4968 -2.7108 -2.7108 -2.5429 -2.5429 -2.0220 -2.0220 -2.0214 -2.0214 -1.9006 -1.9006 -1.7700 -1.7700 -1.6826 -1.6826 -1.6618 -1.6618 -1.6298 -1.6298 -1.5401 -1.5401 -1.2611 -1.2611 -1.1424 -1.1424 0.4520 0.4520 1.0774 1.0774 2.7734 2.7734 3.4290 3.4290 3.4508 3.4508 4.3869 4.3869 6.2307 6.2307 7.3143 7.3143 7.5685 7.5685 8.1196 8.1196 k = 0.5000 0.2887-0.0000 ( 15246 PWs) bands (ev): -40.6751 -40.6751 -40.6704 -40.6704 -40.4975 -40.4975 -40.4968 -40.4968 -2.7108 -2.7108 -2.5429 -2.5429 -2.0220 -2.0220 -2.0214 -2.0214 -1.9006 -1.9006 -1.7700 -1.7700 -1.6826 -1.6826 -1.6618 -1.6618 -1.6298 -1.6298 -1.5401 -1.5401 -1.2611 -1.2611 -1.1424 -1.1424 0.4520 0.4520 1.0774 1.0774 2.7734 2.7734 3.4290 3.4290 3.4508 3.4508 4.3869 4.3869 6.2307 6.2307 7.3143 7.3143 7.5685 7.5685 8.1196 8.1196 k = 0.4933 0.3002-0.0000 ( 15254 PWs) bands (ev): -40.6751 -40.6751 -40.6704 -40.6704 -40.4975 -40.4975 -40.4968 -40.4968 -2.7104 -2.7104 -2.5427 -2.5427 -2.0232 -2.0232 -2.0201 -2.0201 -1.9006 -1.9006 -1.7702 -1.7702 -1.6826 -1.6826 -1.6617 -1.6617 -1.6299 -1.6299 -1.5402 -1.5402 -1.2609 -1.2609 -1.1416 -1.1416 0.4526 0.4526 1.0768 1.0768 2.7745 2.7745 3.4205 3.4205 3.4525 3.4525 4.3822 4.3822 6.2385 6.2385 7.3156 7.3156 7.5516 7.5516 8.1267 8.1267 k = 0.4867 0.3118-0.0000 ( 15244 PWs) bands (ev): -40.6751 -40.6751 -40.6704 -40.6704 -40.4975 -40.4975 -40.4968 -40.4968 -2.7090 -2.7090 -2.5423 -2.5423 -2.0246 -2.0246 -2.0184 -2.0184 -1.9006 -1.9006 -1.7707 -1.7707 -1.6825 -1.6825 -1.6614 -1.6614 -1.6299 -1.6299 -1.5403 -1.5403 -1.2601 -1.2601 -1.1393 -1.1393 0.4541 0.4541 1.0751 1.0751 2.7781 2.7781 3.3971 3.3971 3.4560 3.4560 4.3680 4.3680 6.2614 6.2614 7.3197 7.3197 7.5032 7.5032 8.1471 8.1471 k = 0.4800 0.3233-0.0000 ( 15248 PWs) bands (ev): -40.6751 -40.6751 -40.6705 -40.6705 -40.4975 -40.4975 -40.4968 -40.4968 -2.7067 -2.7067 -2.5417 -2.5417 -2.0259 -2.0259 -2.0166 -2.0166 -1.9006 -1.9006 -1.7716 -1.7716 -1.6822 -1.6822 -1.6610 -1.6610 -1.6300 -1.6300 -1.5404 -1.5404 -1.2589 -1.2589 -1.1355 -1.1355 0.4567 0.4567 1.0723 1.0723 2.7839 2.7839 3.3603 3.3603 3.4609 3.4609 4.3450 4.3450 6.2974 6.2974 7.3263 7.3263 7.4298 7.4298 8.1631 8.1631 k = 0.4733 0.3349-0.0000 ( 15259 PWs) bands (ev): -40.6750 -40.6750 -40.6705 -40.6705 -40.4975 -40.4975 -40.4968 -40.4968 -2.7035 -2.7035 -2.5409 -2.5409 -2.0271 -2.0271 -2.0146 -2.0146 -1.9007 -1.9007 -1.7728 -1.7728 -1.6819 -1.6819 -1.6604 -1.6604 -1.6302 -1.6302 -1.5407 -1.5407 -1.2572 -1.2572 -1.1303 -1.1303 0.4603 0.4603 1.0683 1.0683 2.7921 2.7921 3.3114 3.3114 3.4671 3.4671 4.3139 4.3139 6.3430 6.3430 7.3327 7.3327 7.3432 7.3432 8.1561 8.1561 k = 0.4667 0.3464-0.0000 ( 15271 PWs) bands (ev): -40.6750 -40.6750 -40.6705 -40.6705 -40.4975 -40.4975 -40.4968 -40.4968 -2.6994 -2.6994 -2.5398 -2.5398 -2.0282 -2.0282 -2.0125 -2.0125 -1.9008 -1.9008 -1.7743 -1.7743 -1.6814 -1.6814 -1.6597 -1.6597 -1.6303 -1.6303 -1.5410 -1.5410 -1.2548 -1.2548 -1.1238 -1.1238 0.4648 0.4648 1.0630 1.0630 2.8026 2.8026 3.2522 3.2522 3.4749 3.4749 4.2757 4.2757 6.3930 6.3930 7.2454 7.2454 7.3470 7.3470 8.1568 8.1568 k = 0.4600 0.3580-0.0000 ( 15265 PWs) bands (ev): -40.6749 -40.6749 -40.6705 -40.6705 -40.4975 -40.4975 -40.4968 -40.4968 -2.6945 -2.6945 -2.5386 -2.5386 -2.0293 -2.0293 -2.0102 -2.0102 -1.9009 -1.9009 -1.7760 -1.7760 -1.6808 -1.6808 -1.6589 -1.6589 -1.6304 -1.6304 -1.5415 -1.5415 -1.2519 -1.2519 -1.1160 -1.1160 0.4703 0.4703 1.0565 1.0565 2.8155 2.8155 3.1846 3.1846 3.4841 3.4841 4.2313 4.2313 6.4385 6.4385 7.1568 7.1568 7.3601 7.3601 8.1668 8.1668 k = 0.4533 0.3695-0.0000 ( 15251 PWs) bands (ev): -40.6748 -40.6748 -40.6706 -40.6706 -40.4975 -40.4975 -40.4968 -40.4968 -2.6889 -2.6889 -2.5371 -2.5371 -2.0302 -2.0302 -2.0078 -2.0078 -1.9010 -1.9010 -1.7780 -1.7780 -1.6801 -1.6801 -1.6581 -1.6581 -1.6304 -1.6304 -1.5420 -1.5420 -1.2482 -1.2482 -1.1071 -1.1071 0.4766 0.4766 1.0486 1.0486 2.8306 2.8306 3.1105 3.1105 3.4947 3.4947 4.1822 4.1822 6.4662 6.4662 7.0886 7.0886 7.3752 7.3752 8.1854 8.1854 k = 0.4467 0.3811-0.0000 ( 15257 PWs) bands (ev): -40.6748 -40.6748 -40.6706 -40.6706 -40.4975 -40.4975 -40.4969 -40.4969 -2.6826 -2.6826 -2.5356 -2.5356 -2.0312 -2.0312 -2.0053 -2.0053 -1.9012 -1.9012 -1.7800 -1.7800 -1.6792 -1.6792 -1.6573 -1.6573 -1.6304 -1.6304 -1.5427 -1.5427 -1.2438 -1.2438 -1.0973 -1.0973 0.4837 0.4837 1.0393 1.0393 2.8480 2.8480 3.0318 3.0318 3.5066 3.5066 4.1293 4.1293 6.4594 6.4594 7.0574 7.0574 7.3920 7.3920 8.2123 8.2123 k = 0.4400 0.3926-0.0000 ( 15253 PWs) bands (ev): -40.6747 -40.6747 -40.6706 -40.6706 -40.4976 -40.4976 -40.4969 -40.4969 -2.6756 -2.6756 -2.5340 -2.5340 -2.0320 -2.0320 -2.0027 -2.0027 -1.9015 -1.9015 -1.7821 -1.7821 -1.6782 -1.6782 -1.6565 -1.6565 -1.6303 -1.6303 -1.5434 -1.5434 -1.2385 -1.2385 -1.0867 -1.0867 0.4915 0.4915 1.0286 1.0286 2.8675 2.8675 2.9502 2.9502 3.5194 3.5194 4.0739 4.0739 6.4111 6.4111 7.0695 7.0695 7.4103 7.4103 8.2476 8.2476 k = 0.4333 0.4041-0.0000 ( 15249 PWs) bands (ev): -40.6746 -40.6746 -40.6707 -40.6707 -40.4976 -40.4976 -40.4969 -40.4969 -2.6681 -2.6681 -2.5324 -2.5324 -2.0328 -2.0328 -1.9999 -1.9999 -1.9019 -1.9019 -1.7842 -1.7842 -1.6771 -1.6771 -1.6558 -1.6558 -1.6300 -1.6300 -1.5442 -1.5442 -1.2324 -1.2324 -1.0755 -1.0755 0.5000 0.5000 1.0163 1.0163 2.8661 2.8661 2.8904 2.8904 3.5331 3.5331 4.0170 4.0170 6.3303 6.3303 7.1144 7.1144 7.4301 7.4301 8.2920 8.2920 k = 0.4267 0.4157-0.0000 ( 15273 PWs) bands (ev): -40.6745 -40.6745 -40.6707 -40.6707 -40.4976 -40.4976 -40.4969 -40.4969 -2.6601 -2.6601 -2.5307 -2.5307 -2.0336 -2.0336 -1.9970 -1.9970 -1.9023 -1.9023 -1.7863 -1.7863 -1.6759 -1.6759 -1.6551 -1.6551 -1.6296 -1.6296 -1.5452 -1.5452 -1.2254 -1.2254 -1.0638 -1.0638 0.5089 0.5089 1.0024 1.0024 2.7834 2.7834 2.9139 2.9139 3.5474 3.5474 3.9597 3.9597 6.2310 6.2310 7.1768 7.1768 7.4511 7.4511 8.3460 8.3460 k = 0.4200 0.4272-0.0000 ( 15277 PWs) bands (ev): -40.6744 -40.6744 -40.6708 -40.6708 -40.4976 -40.4976 -40.4969 -40.4969 -2.6518 -2.6518 -2.5291 -2.5291 -2.0343 -2.0343 -1.9941 -1.9941 -1.9029 -1.9029 -1.7883 -1.7883 -1.6746 -1.6746 -1.6545 -1.6545 -1.6291 -1.6291 -1.5461 -1.5461 -1.2173 -1.2173 -1.0520 -1.0520 0.5183 0.5183 0.9868 0.9868 2.7012 2.7012 2.9402 2.9402 3.5618 3.5618 3.9029 3.9029 6.1231 6.1231 7.2455 7.2455 7.4732 7.4732 8.4101 8.4101 k = 0.4133 0.4388-0.0000 ( 15291 PWs) bands (ev): -40.6742 -40.6742 -40.6709 -40.6709 -40.4977 -40.4977 -40.4970 -40.4970 -2.6431 -2.6431 -2.5276 -2.5276 -2.0350 -2.0350 -1.9910 -1.9910 -1.9035 -1.9035 -1.7901 -1.7901 -1.6732 -1.6732 -1.6541 -1.6541 -1.6284 -1.6284 -1.5472 -1.5472 -1.2083 -1.2083 -1.0402 -1.0402 0.5280 0.5280 0.9696 0.9696 2.6212 2.6212 2.9687 2.9687 3.5760 3.5760 3.8474 3.8474 6.0123 6.0123 7.3139 7.3139 7.4963 7.4963 8.4845 8.4845 k = 0.4067 0.4503-0.0000 ( 15287 PWs) bands (ev): -40.6741 -40.6741 -40.6710 -40.6710 -40.4977 -40.4977 -40.4970 -40.4970 -2.6343 -2.6343 -2.5263 -2.5263 -2.0356 -2.0356 -1.9880 -1.9880 -1.9043 -1.9043 -1.7918 -1.7918 -1.6719 -1.6719 -1.6537 -1.6537 -1.6276 -1.6276 -1.5482 -1.5482 -1.1982 -1.1982 -1.0288 -1.0288 0.5380 0.5380 0.9506 0.9506 2.5443 2.5443 2.9993 2.9993 3.5895 3.5895 3.7940 3.7940 5.9021 5.9021 7.3781 7.3781 7.5200 7.5200 8.5685 8.5685 k = 0.4000 0.4619-0.0000 ( 15283 PWs) bands (ev): -40.6740 -40.6740 -40.6710 -40.6710 -40.4977 -40.4977 -40.4970 -40.4970 -2.6253 -2.6253 -2.5252 -2.5252 -2.0362 -2.0362 -1.9850 -1.9850 -1.9051 -1.9051 -1.7933 -1.7933 -1.6705 -1.6705 -1.6535 -1.6535 -1.6267 -1.6267 -1.5492 -1.5492 -1.1871 -1.1871 -1.0179 -1.0179 0.5482 0.5482 0.9301 0.9301 2.4716 2.4716 3.0321 3.0321 3.6016 3.6016 3.7433 3.7433 5.7948 5.7948 7.4364 7.4364 7.5441 7.5441 8.6609 8.6609 k = 0.3933 0.4734-0.0000 ( 15285 PWs) bands (ev): -40.6738 -40.6738 -40.6711 -40.6711 -40.4978 -40.4978 -40.4970 -40.4970 -2.6164 -2.6164 -2.5244 -2.5244 -2.0367 -2.0367 -1.9820 -1.9820 -1.9060 -1.9060 -1.7945 -1.7945 -1.6692 -1.6692 -1.6534 -1.6534 -1.6258 -1.6258 -1.5502 -1.5502 -1.1749 -1.1749 -1.0080 -1.0080 0.5585 0.5585 0.9079 0.9079 2.4037 2.4037 3.0669 3.0669 3.6115 3.6115 3.6960 3.6960 5.6923 5.6923 7.4878 7.4878 7.5683 7.5683 8.7596 8.7596 k = 0.3867 0.4850-0.0000 ( 15297 PWs) bands (ev): -40.6737 -40.6737 -40.6712 -40.6712 -40.4978 -40.4978 -40.4970 -40.4970 -2.6075 -2.6075 -2.5239 -2.5239 -2.0371 -2.0371 -1.9791 -1.9791 -1.9070 -1.9070 -1.7955 -1.7955 -1.6679 -1.6679 -1.6534 -1.6534 -1.6247 -1.6247 -1.5511 -1.5511 -1.1617 -1.1617 -0.9993 -0.9993 0.5690 0.5690 0.8843 0.8843 2.3415 2.3415 3.1037 3.1037 3.6179 3.6179 3.6530 3.6530 5.5960 5.5960 7.5326 7.5326 7.5921 7.5921 8.8617 8.8617 k = 0.3800 0.4965-0.0000 ( 15301 PWs) bands (ev): -40.6735 -40.6735 -40.6713 -40.6713 -40.4978 -40.4978 -40.4971 -40.4971 -2.5989 -2.5989 -2.5238 -2.5238 -2.0375 -2.0375 -1.9764 -1.9764 -1.9080 -1.9080 -1.7964 -1.7964 -1.6667 -1.6667 -1.6535 -1.6535 -1.6237 -1.6237 -1.5520 -1.5520 -1.1475 -1.1475 -0.9923 -0.9923 0.5797 0.5797 0.8595 0.8595 2.2856 2.2856 3.1425 3.1425 3.6086 3.6086 3.6260 3.6260 5.5074 5.5074 7.5710 7.5710 7.6153 7.6153 8.9638 8.9638 k = 0.3733 0.5081-0.0000 ( 15305 PWs) bands (ev): -40.6734 -40.6734 -40.6715 -40.6715 -40.4978 -40.4978 -40.4971 -40.4971 -2.5905 -2.5905 -2.5241 -2.5241 -2.0379 -2.0379 -1.9739 -1.9739 -1.9089 -1.9089 -1.7969 -1.7969 -1.6656 -1.6656 -1.6537 -1.6537 -1.6227 -1.6227 -1.5527 -1.5527 -1.1325 -1.1325 -0.9872 -0.9872 0.5908 0.5908 0.8336 0.8336 2.2365 2.2365 3.1833 3.1833 3.5755 3.5755 3.6222 3.6222 5.4279 5.4279 7.6036 7.6036 7.6371 7.6371 9.0620 9.0620 k = 0.3667 0.5196-0.0000 ( 15313 PWs) bands (ev): -40.6732 -40.6732 -40.6716 -40.6716 -40.4979 -40.4979 -40.4971 -40.4971 -2.5826 -2.5826 -2.5248 -2.5248 -2.0382 -2.0382 -1.9717 -1.9717 -1.9098 -1.9098 -1.7974 -1.7974 -1.6645 -1.6645 -1.6540 -1.6540 -1.6218 -1.6218 -1.5533 -1.5533 -1.1169 -1.1169 -0.9843 -0.9843 0.6024 0.6024 0.8071 0.8071 2.1947 2.1947 3.2260 3.2260 3.5452 3.5452 3.6145 3.6145 5.3588 5.3588 7.6309 7.6309 7.6570 7.6570 9.1522 9.1522 k = 0.3600 0.5312-0.0000 ( 15309 PWs) bands (ev): -40.6730 -40.6730 -40.6717 -40.6717 -40.4979 -40.4979 -40.4971 -40.4971 -2.5752 -2.5752 -2.5260 -2.5260 -2.0385 -2.0385 -1.9698 -1.9698 -1.9106 -1.9106 -1.7976 -1.7976 -1.6635 -1.6635 -1.6544 -1.6544 -1.6210 -1.6210 -1.5538 -1.5538 -1.1009 -1.1009 -0.9840 -0.9840 0.6149 0.6149 0.7803 0.7803 2.1605 2.1605 3.2705 3.2705 3.5193 3.5193 3.6003 3.6003 5.3013 5.3013 7.6536 7.6536 7.6744 7.6744 9.2300 9.2300 k = 0.3533 0.5427-0.0000 ( 15305 PWs) bands (ev): -40.6728 -40.6728 -40.6719 -40.6719 -40.4979 -40.4979 -40.4971 -40.4971 -2.5685 -2.5685 -2.5276 -2.5276 -2.0387 -2.0387 -1.9683 -1.9683 -1.9112 -1.9112 -1.7977 -1.7977 -1.6627 -1.6627 -1.6549 -1.6549 -1.6203 -1.6203 -1.5542 -1.5542 -1.0850 -1.0850 -0.9863 -0.9863 0.6286 0.6286 0.7538 0.7538 2.1340 2.1340 3.3168 3.3168 3.4983 3.4983 3.5787 3.5787 5.2562 5.2562 7.6717 7.6717 7.6884 7.6884 9.2912 9.2912 k = 0.3467 0.5543-0.0000 ( 15315 PWs) bands (ev): -40.6727 -40.6727 -40.6720 -40.6720 -40.4979 -40.4979 -40.4971 -40.4971 -2.5629 -2.5629 -2.5295 -2.5295 -2.0388 -2.0388 -1.9671 -1.9671 -1.9116 -1.9116 -1.7978 -1.7978 -1.6620 -1.6620 -1.6553 -1.6553 -1.6198 -1.6198 -1.5544 -1.5544 -1.0701 -1.0701 -0.9908 -0.9908 0.6437 0.6437 0.7280 0.7280 2.1153 2.1153 3.3648 3.3648 3.4821 3.4821 3.5493 3.5493 5.2240 5.2240 7.6855 7.6855 7.6985 7.6985 9.3300 9.3301 k = 0.3400 0.5658-0.0000 ( 15309 PWs) bands (ev): -40.6725 -40.6725 -40.6722 -40.6722 -40.4979 -40.4979 -40.4971 -40.4971 -2.5589 -2.5589 -2.5312 -2.5312 -2.0389 -2.0389 -1.9665 -1.9665 -1.9119 -1.9119 -1.7978 -1.7978 -1.6615 -1.6615 -1.6556 -1.6556 -1.6195 -1.6195 -1.5545 -1.5545 -1.0581 -1.0581 -0.9962 -0.9962 0.6607 0.6607 0.7039 0.7039 2.1042 2.1042 3.4143 3.4143 3.4708 3.4708 3.5123 3.5123 5.2050 5.2050 7.6949 7.6949 7.7039 7.7039 9.3439 9.3439 k = 0.3333 0.5774-0.0000 ( 15309 PWs) bands (ev): -40.6723 -40.6723 -40.6723 -40.6723 -40.4979 -40.4979 -40.4971 -40.4971 -2.5574 -2.5574 -2.5319 -2.5319 -2.0389 -2.0389 -1.9663 -1.9663 -1.9120 -1.9120 -1.7978 -1.7978 -1.6613 -1.6613 -1.6558 -1.6558 -1.6194 -1.6194 -1.5546 -1.5546 -1.0529 -1.0529 -0.9991 -0.9991 0.6758 0.6758 0.6862 0.6862 2.1005 2.1005 3.4587 3.4587 3.4634 3.4634 3.4756 3.4756 5.1988 5.1988 7.6987 7.6987 7.7053 7.7053 9.3512 9.3512 k = 0.3333 0.5774-0.0000 ( 15309 PWs) bands (ev): -40.6723 -40.6723 -40.6723 -40.6723 -40.4979 -40.4979 -40.4971 -40.4971 -2.5574 -2.5574 -2.5319 -2.5319 -2.0389 -2.0389 -1.9663 -1.9663 -1.9120 -1.9120 -1.7978 -1.7978 -1.6613 -1.6613 -1.6558 -1.6558 -1.6194 -1.6194 -1.5546 -1.5546 -1.0529 -1.0529 -0.9991 -0.9991 0.6758 0.6758 0.6862 0.6862 2.1005 2.1005 3.4587 3.4587 3.4634 3.4634 3.4756 3.4756 5.1988 5.1988 7.6987 7.6987 7.7053 7.7053 9.3512 9.3512 k = 0.3267 0.5658-0.0000 ( 15309 PWs) bands (ev): -40.6725 -40.6725 -40.6722 -40.6722 -40.4979 -40.4979 -40.4971 -40.4971 -2.5590 -2.5590 -2.5311 -2.5311 -2.0389 -2.0389 -1.9665 -1.9665 -1.9119 -1.9119 -1.7978 -1.7978 -1.6615 -1.6615 -1.6556 -1.6556 -1.6195 -1.6195 -1.5546 -1.5546 -1.0587 -1.0587 -0.9957 -0.9957 0.6610 0.6610 0.7040 0.7040 2.1041 2.1041 3.4146 3.4146 3.4628 3.4628 3.5203 3.5203 5.2047 5.2047 7.6942 7.6942 7.7045 7.7045 9.3371 9.3371 k = 0.3200 0.5543-0.0000 ( 15309 PWs) bands (ev): -40.6727 -40.6727 -40.6720 -40.6720 -40.4979 -40.4979 -40.4971 -40.4971 -2.5636 -2.5636 -2.5291 -2.5291 -2.0388 -2.0388 -1.9671 -1.9671 -1.9118 -1.9118 -1.7979 -1.7979 -1.6620 -1.6620 -1.6552 -1.6552 -1.6199 -1.6199 -1.5545 -1.5545 -1.0742 -1.0742 -0.9877 -0.9877 0.6456 0.6456 0.7291 0.7291 2.1144 2.1144 3.3582 3.3582 3.4656 3.4656 3.5745 3.5745 5.2219 5.2219 7.6818 7.6818 7.7006 7.7006 9.3069 9.3069 k = 0.3133 0.5427-0.0000 ( 15311 PWs) bands (ev): -40.6729 -40.6729 -40.6718 -40.6718 -40.4979 -40.4979 -40.4971 -40.4971 -2.5706 -2.5706 -2.5267 -2.5267 -2.0387 -2.0387 -1.9680 -1.9680 -1.9116 -1.9116 -1.7981 -1.7981 -1.6627 -1.6627 -1.6547 -1.6547 -1.6204 -1.6204 -1.5544 -1.5544 -1.0956 -1.0956 -0.9792 -0.9792 0.6347 0.6347 0.7574 0.7574 2.1310 2.1310 3.2973 3.2973 3.4729 3.4729 3.6303 3.6303 5.2493 5.2493 7.6626 7.6626 7.6922 7.6922 9.2673 9.2673 k = 0.3067 0.5312-0.0000 ( 15321 PWs) bands (ev): -40.6731 -40.6731 -40.6717 -40.6717 -40.4979 -40.4979 -40.4971 -40.4971 -2.5794 -2.5794 -2.5244 -2.5244 -2.0385 -2.0385 -1.9693 -1.9693 -1.9114 -1.9114 -1.7985 -1.7985 -1.6635 -1.6635 -1.6540 -1.6540 -1.6211 -1.6211 -1.5543 -1.5543 -1.1210 -1.1210 -0.9721 -0.9721 0.6290 0.6290 0.7890 0.7890 2.1537 2.1537 3.2333 3.2333 3.4845 3.4845 3.6876 3.6876 5.2857 5.2857 7.6369 7.6369 7.6788 7.6788 9.2223 9.2223 k = 0.3000 0.5196-0.0000 ( 15313 PWs) bands (ev): -40.6733 -40.6733 -40.6715 -40.6715 -40.4978 -40.4978 -40.4971 -40.4971 -2.5899 -2.5899 -2.5225 -2.5225 -2.0383 -2.0383 -1.9707 -1.9707 -1.9113 -1.9113 -1.7990 -1.7990 -1.6644 -1.6644 -1.6532 -1.6532 -1.6219 -1.6219 -1.5542 -1.5542 -1.1492 -1.1492 -0.9678 -0.9678 0.6294 0.6294 0.8236 0.8236 2.1818 2.1818 3.1675 3.1675 3.5003 3.5003 3.7461 3.7461 5.3303 5.3303 7.6054 7.6054 7.6602 7.6602 9.1749 9.1749 k = 0.2933 0.5081-0.0000 ( 15305 PWs) bands (ev): -40.6735 -40.6735 -40.6713 -40.6713 -40.4978 -40.4978 -40.4971 -40.4971 -2.6021 -2.6021 -2.5212 -2.5212 -2.0381 -2.0381 -1.9724 -1.9724 -1.9115 -1.9115 -1.7998 -1.7998 -1.6653 -1.6653 -1.6524 -1.6524 -1.6230 -1.6230 -1.5541 -1.5541 -1.1794 -1.1794 -0.9668 -0.9668 0.6366 0.6366 0.8611 0.8611 2.2151 2.2151 3.1011 3.1011 3.5201 3.5201 3.8058 3.8058 5.3821 5.3821 7.5688 7.5688 7.6362 7.6362 9.1276 9.1276 k = 0.2867 0.4965-0.0000 ( 15311 PWs) bands (ev): -40.6738 -40.6738 -40.6712 -40.6712 -40.4978 -40.4978 -40.4970 -40.4970 -2.6160 -2.6160 -2.5204 -2.5204 -2.0378 -2.0378 -1.9742 -1.9742 -1.9118 -1.9118 -1.8009 -1.8009 -1.6661 -1.6661 -1.6516 -1.6516 -1.6242 -1.6242 -1.5542 -1.5542 -1.2109 -1.2109 -0.9696 -0.9696 0.6510 0.6510 0.9011 0.9011 2.2530 2.2530 3.0353 3.0353 3.5436 3.5436 3.8665 3.8665 5.4403 5.4403 7.5277 7.5277 7.6067 7.6067 9.0819 9.0819 k = 0.2800 0.4850-0.0000 ( 15303 PWs) bands (ev): -40.6740 -40.6740 -40.6710 -40.6710 -40.4977 -40.4977 -40.4970 -40.4970 -2.6317 -2.6317 -2.5204 -2.5204 -2.0375 -2.0375 -1.9761 -1.9761 -1.9124 -1.9124 -1.8023 -1.8023 -1.6669 -1.6669 -1.6509 -1.6509 -1.6255 -1.6255 -1.5543 -1.5543 -1.2431 -1.2431 -0.9764 -0.9764 0.6731 0.6731 0.9430 0.9430 2.2952 2.2952 2.9712 2.9712 3.5708 3.5708 3.9282 3.9282 5.5041 5.5041 7.4831 7.4831 7.5720 7.5720 9.0387 9.0387 k = 0.2733 0.4734-0.0000 ( 15299 PWs) bands (ev): -40.6743 -40.6743 -40.6709 -40.6709 -40.4977 -40.4977 -40.4970 -40.4970 -2.6492 -2.6492 -2.5211 -2.5211 -2.0372 -2.0372 -1.9781 -1.9781 -1.9134 -1.9134 -1.8040 -1.8040 -1.6677 -1.6677 -1.6501 -1.6501 -1.6269 -1.6269 -1.5545 -1.5545 -1.2755 -1.2755 -0.9871 -0.9871 0.7029 0.7029 0.9863 0.9863 2.3413 2.3413 2.9100 2.9100 3.6015 3.6015 3.9905 3.9905 5.5728 5.5728 7.4358 7.4358 7.5323 7.5323 8.9986 8.9986 k = 0.2667 0.4619-0.0000 ( 15291 PWs) bands (ev): -40.6745 -40.6745 -40.6707 -40.6707 -40.4976 -40.4976 -40.4969 -40.4969 -2.6686 -2.6686 -2.5226 -2.5226 -2.0369 -2.0369 -1.9801 -1.9801 -1.9147 -1.9147 -1.8060 -1.8060 -1.6684 -1.6684 -1.6496 -1.6496 -1.6283 -1.6283 -1.5548 -1.5548 -1.3073 -1.3073 -1.0017 -1.0017 0.7405 0.7405 1.0302 1.0302 2.3907 2.3907 2.8531 2.8531 3.6355 3.6355 4.0535 4.0535 5.6459 5.6459 7.3867 7.3867 7.4882 7.4882 8.9617 8.9617 k = 0.2600 0.4503-0.0000 ( 15283 PWs) bands (ev): -40.6748 -40.6748 -40.6706 -40.6706 -40.4976 -40.4976 -40.4969 -40.4969 -2.6899 -2.6899 -2.5248 -2.5248 -2.0366 -2.0366 -1.9822 -1.9822 -1.9163 -1.9163 -1.8084 -1.8084 -1.6690 -1.6690 -1.6492 -1.6492 -1.6297 -1.6297 -1.5553 -1.5553 -1.3382 -1.3382 -1.0197 -1.0197 0.7856 0.7856 1.0738 1.0738 2.4427 2.4427 2.8021 2.8021 3.6727 3.6727 4.1170 4.1170 5.7228 5.7228 7.3367 7.3367 7.4404 7.4404 8.9278 8.9278 k = 0.2533 0.4388-0.0000 ( 15295 PWs) bands (ev): -40.6750 -40.6750 -40.6704 -40.6704 -40.4975 -40.4975 -40.4968 -40.4968 -2.7132 -2.7132 -2.5278 -2.5278 -2.0364 -2.0364 -1.9842 -1.9842 -1.9184 -1.9184 -1.8112 -1.8112 -1.6695 -1.6695 -1.6491 -1.6491 -1.6308 -1.6308 -1.5559 -1.5559 -1.3676 -1.3676 -1.0407 -1.0407 0.8381 0.8381 1.1159 1.1159 2.4962 2.4962 2.7591 2.7591 3.7129 3.7129 4.1806 4.1806 5.8027 5.8027 7.2865 7.2865 7.3897 7.3897 8.8964 8.8964 k = 0.2467 0.4272-0.0000 ( 15295 PWs) bands (ev): -40.6753 -40.6753 -40.6703 -40.6703 -40.4974 -40.4974 -40.4967 -40.4967 -2.7384 -2.7384 -2.5316 -2.5316 -2.0361 -2.0361 -1.9862 -1.9862 -1.9209 -1.9209 -1.8145 -1.8145 -1.6699 -1.6699 -1.6494 -1.6494 -1.6317 -1.6317 -1.5568 -1.5568 -1.3951 -1.3951 -1.0644 -1.0644 0.8975 0.8975 1.1553 1.1553 2.5481 2.5481 2.7285 2.7285 3.7560 3.7560 4.2442 4.2442 5.8852 5.8852 7.2367 7.2367 7.3372 7.3372 8.8671 8.8671 k = 0.2400 0.4157-0.0000 ( 15301 PWs) bands (ev): -40.6756 -40.6756 -40.6702 -40.6702 -40.4974 -40.4974 -40.4967 -40.4967 -2.7654 -2.7654 -2.5363 -2.5363 -2.0359 -2.0359 -1.9882 -1.9882 -1.9238 -1.9238 -1.8182 -1.8182 -1.6702 -1.6702 -1.6503 -1.6503 -1.6321 -1.6321 -1.5579 -1.5579 -1.4205 -1.4205 -1.0901 -1.0901 0.9636 0.9636 1.1907 1.1907 2.5902 2.5902 2.7196 2.7196 3.8018 3.8018 4.3077 4.3077 5.9692 5.9692 7.1881 7.1881 7.2842 7.2842 8.8392 8.8392 k = 0.2333 0.4041-0.0000 ( 15291 PWs) bands (ev): -40.6759 -40.6759 -40.6701 -40.6701 -40.4973 -40.4973 -40.4966 -40.4966 -2.7944 -2.7944 -2.5418 -2.5418 -2.0357 -2.0357 -1.9901 -1.9901 -1.9271 -1.9271 -1.8223 -1.8223 -1.6706 -1.6706 -1.6517 -1.6517 -1.6320 -1.6320 -1.5594 -1.5594 -1.4434 -1.4434 -1.1174 -1.1174 1.0358 1.0358 1.2206 1.2206 2.6106 2.6106 2.7457 2.7457 3.8501 3.8501 4.3706 4.3706 6.0538 6.0538 7.1412 7.1412 7.2321 7.2321 8.8121 8.8121 k = 0.2267 0.3926-0.0000 ( 15293 PWs) bands (ev): -40.6762 -40.6762 -40.6700 -40.6700 -40.4972 -40.4972 -40.4965 -40.4965 -2.8250 -2.8250 -2.5481 -2.5481 -2.0356 -2.0356 -1.9919 -1.9919 -1.9307 -1.9307 -1.8268 -1.8268 -1.6709 -1.6709 -1.6535 -1.6535 -1.6315 -1.6315 -1.5613 -1.5613 -1.4637 -1.4637 -1.1458 -1.1458 1.1137 1.1137 1.2439 1.2439 2.6183 2.6183 2.7989 2.7989 3.9010 3.9010 4.4327 4.4327 6.1372 6.1372 7.0967 7.0967 7.1830 7.1830 8.7853 8.7853 k = 0.2200 0.3811-0.0000 ( 15271 PWs) bands (ev): -40.6765 -40.6765 -40.6699 -40.6699 -40.4971 -40.4971 -40.4964 -40.4964 -2.8573 -2.8573 -2.5553 -2.5553 -2.0356 -2.0356 -1.9937 -1.9937 -1.9345 -1.9345 -1.8318 -1.8318 -1.6714 -1.6714 -1.6556 -1.6556 -1.6306 -1.6306 -1.5638 -1.5638 -1.4812 -1.4812 -1.1748 -1.1748 1.1970 1.1970 1.2594 1.2594 2.6293 2.6293 2.8642 2.8642 3.9541 3.9541 4.4937 4.4937 6.2173 6.2173 7.0549 7.0549 7.1395 7.1395 8.7582 8.7582 k = 0.2133 0.3695-0.0000 ( 15271 PWs) bands (ev): -40.6768 -40.6768 -40.6698 -40.6698 -40.4970 -40.4970 -40.4963 -40.4963 -2.8910 -2.8910 -2.5634 -2.5634 -2.0356 -2.0356 -1.9953 -1.9953 -1.9386 -1.9386 -1.8371 -1.8371 -1.6721 -1.6721 -1.6576 -1.6576 -1.6296 -1.6296 -1.5669 -1.5669 -1.4958 -1.4958 -1.2040 -1.2040 1.2650 1.2650 1.2869 1.2869 2.6502 2.6502 2.9353 2.9353 4.0095 4.0095 4.5532 4.5532 6.2904 6.2904 7.0165 7.0165 7.1055 7.1055 8.7304 8.7304 k = 0.2067 0.3580-0.0000 ( 15235 PWs) bands (ev): -40.6771 -40.6771 -40.6697 -40.6697 -40.4969 -40.4969 -40.4962 -40.4962 -2.9260 -2.9260 -2.5723 -2.5723 -2.0357 -2.0357 -1.9969 -1.9969 -1.9428 -1.9428 -1.8428 -1.8428 -1.6734 -1.6734 -1.6592 -1.6592 -1.6283 -1.6283 -1.5707 -1.5707 -1.5077 -1.5077 -1.2331 -1.2331 1.2645 1.2645 1.3793 1.3793 2.6829 2.6829 3.0102 3.0102 4.0668 4.0668 4.6109 4.6109 6.3516 6.3516 6.9818 6.9818 7.0863 7.0863 8.7017 8.7017 k = 0.2000 0.3464-0.0000 ( 15237 PWs) bands (ev): -40.6774 -40.6774 -40.6696 -40.6696 -40.4968 -40.4968 -40.4962 -40.4962 -2.9621 -2.9621 -2.5820 -2.5820 -2.0359 -2.0359 -1.9983 -1.9983 -1.9471 -1.9471 -1.8488 -1.8488 -1.6753 -1.6753 -1.6602 -1.6602 -1.6269 -1.6269 -1.5752 -1.5752 -1.5170 -1.5170 -1.2616 -1.2616 1.2553 1.2553 1.4768 1.4768 2.7276 2.7276 3.0882 3.0882 4.1261 4.1261 4.6664 4.6664 6.3951 6.3951 6.9514 6.9514 7.0879 7.0879 8.6717 8.6717 k = 0.1933 0.3349-0.0000 ( 15241 PWs) bands (ev): -40.6777 -40.6777 -40.6695 -40.6695 -40.4967 -40.4967 -40.4961 -40.4961 -2.9990 -2.9990 -2.5926 -2.5926 -2.0361 -2.0361 -1.9996 -1.9996 -1.9514 -1.9514 -1.8551 -1.8551 -1.6778 -1.6778 -1.6607 -1.6607 -1.6254 -1.6254 -1.5801 -1.5801 -1.5240 -1.5240 -1.2894 -1.2894 1.2389 1.2389 1.5786 1.5786 2.7836 2.7836 3.1688 3.1688 4.1871 4.1871 4.7194 4.7194 6.4163 6.4163 6.9255 6.9255 7.1151 7.1151 8.6405 8.6405 k = 0.1867 0.3233-0.0000 ( 15267 PWs) bands (ev): -40.6780 -40.6780 -40.6695 -40.6695 -40.4966 -40.4966 -40.4960 -40.4960 -3.0366 -3.0366 -2.6039 -2.6039 -2.0364 -2.0364 -2.0008 -2.0008 -1.9556 -1.9556 -1.8616 -1.8616 -1.6808 -1.6808 -1.6607 -1.6607 -1.6240 -1.6240 -1.5851 -1.5851 -1.5293 -1.5293 -1.3163 -1.3163 1.2166 1.2166 1.6842 1.6842 2.8501 2.8501 3.2516 3.2516 4.2497 4.2497 4.7694 4.7694 6.4153 6.4153 6.9046 6.9046 7.1679 7.1679 8.6080 8.6080 k = 0.1800 0.3118-0.0000 ( 15269 PWs) bands (ev): -40.6783 -40.6783 -40.6694 -40.6694 -40.4965 -40.4965 -40.4959 -40.4959 -3.0745 -3.0745 -2.6161 -2.6161 -2.0368 -2.0368 -2.0018 -2.0018 -1.9598 -1.9598 -1.8683 -1.8683 -1.6841 -1.6841 -1.6603 -1.6603 -1.6226 -1.6226 -1.5899 -1.5899 -1.5333 -1.5333 -1.3419 -1.3419 1.1895 1.1895 1.7936 1.7936 2.9258 2.9258 3.3367 3.3367 4.3137 4.3137 4.8162 4.8162 6.3961 6.3961 6.8889 6.8889 7.2424 7.2424 8.5742 8.5742 k = 0.1733 0.3002-0.0000 ( 15267 PWs) bands (ev): -40.6786 -40.6786 -40.6693 -40.6693 -40.4964 -40.4964 -40.4957 -40.4957 -3.1127 -3.1127 -2.6289 -2.6289 -2.0371 -2.0371 -2.0028 -2.0028 -1.9638 -1.9638 -1.8751 -1.8751 -1.6875 -1.6875 -1.6598 -1.6598 -1.6215 -1.6215 -1.5941 -1.5941 -1.5364 -1.5364 -1.3662 -1.3662 1.1587 1.1587 1.9063 1.9063 3.0095 3.0095 3.4238 3.4238 4.3788 4.3788 4.8596 4.8596 6.3643 6.3643 6.8786 6.8786 7.3331 7.3331 8.5395 8.5395 k = 0.1667 0.2887-0.0000 ( 15259 PWs) bands (ev): -40.6789 -40.6789 -40.6693 -40.6693 -40.4963 -40.4963 -40.4956 -40.4956 -3.1509 -3.1509 -2.6424 -2.6424 -2.0375 -2.0375 -2.0036 -2.0036 -1.9676 -1.9676 -1.8820 -1.8820 -1.6909 -1.6909 -1.6592 -1.6592 -1.6208 -1.6208 -1.5975 -1.5975 -1.5389 -1.5389 -1.3890 -1.3890 1.1252 1.1252 2.0223 2.0223 3.1002 3.1002 3.5129 3.5129 4.4448 4.4448 4.8994 4.8994 6.3245 6.3245 6.8738 6.8738 7.4352 7.4352 8.5039 8.5039 k = 0.1600 0.2771-0.0000 ( 15271 PWs) bands (ev): -40.6792 -40.6792 -40.6693 -40.6693 -40.4961 -40.4961 -40.4955 -40.4955 -3.1888 -3.1888 -2.6565 -2.6565 -2.0379 -2.0379 -2.0044 -2.0044 -1.9712 -1.9712 -1.8889 -1.8889 -1.6942 -1.6942 -1.6585 -1.6585 -1.6209 -1.6209 -1.5996 -1.5996 -1.5410 -1.5410 -1.4104 -1.4104 1.0899 1.0899 2.1413 2.1413 3.1970 3.1970 3.6038 3.6038 4.5113 4.5113 4.9357 4.9357 6.2800 6.2800 6.8744 6.8744 7.5452 7.5452 8.4677 8.4677 k = 0.1533 0.2656-0.0000 ( 15279 PWs) bands (ev): -40.6796 -40.6796 -40.6692 -40.6692 -40.4960 -40.4960 -40.4954 -40.4954 -3.2263 -3.2263 -2.6710 -2.6710 -2.0383 -2.0383 -2.0051 -2.0051 -1.9746 -1.9746 -1.8959 -1.8959 -1.6975 -1.6975 -1.6579 -1.6579 -1.6219 -1.6219 -1.6004 -1.6004 -1.5428 -1.5428 -1.4302 -1.4302 1.0534 1.0534 2.2631 2.2631 3.2989 3.2989 3.6965 3.6965 4.5779 4.5779 4.9687 4.9687 6.2330 6.2330 6.8802 6.8802 7.6605 7.6605 8.4314 8.4314 k = 0.1467 0.2540-0.0000 ( 15255 PWs) bands (ev): -40.6798 -40.6798 -40.6692 -40.6692 -40.4959 -40.4959 -40.4953 -40.4953 -3.2633 -3.2633 -2.6860 -2.6860 -2.0386 -2.0386 -2.0057 -2.0057 -1.9778 -1.9778 -1.9028 -1.9028 -1.7006 -1.7006 -1.6573 -1.6573 -1.6237 -1.6237 -1.6000 -1.6000 -1.5444 -1.5444 -1.4483 -1.4483 1.0164 1.0164 2.3875 2.3875 3.4051 3.4051 3.7910 3.7910 4.6440 4.6440 4.9990 4.9990 6.1848 6.1848 6.8911 6.8911 7.7789 7.7789 8.3954 8.3954 k = 0.1400 0.2425-0.0000 ( 15249 PWs) bands (ev): -40.6801 -40.6801 -40.6691 -40.6691 -40.4958 -40.4958 -40.4952 -40.4952 -3.2995 -3.2995 -2.7014 -2.7014 -2.0389 -2.0389 -2.0063 -2.0063 -1.9809 -1.9809 -1.9097 -1.9097 -1.7036 -1.7036 -1.6568 -1.6568 -1.6260 -1.6260 -1.5987 -1.5987 -1.5459 -1.5459 -1.4649 -1.4649 0.9794 0.9794 2.5143 2.5143 3.5150 3.5150 3.8873 3.8873 4.7085 4.7085 5.0276 5.0276 6.1366 6.1366 6.9064 6.9064 7.8978 7.8978 8.3610 8.3610 k = 0.1333 0.2309-0.0000 ( 15243 PWs) bands (ev): -40.6804 -40.6804 -40.6691 -40.6691 -40.4957 -40.4957 -40.4951 -40.4951 -3.3348 -3.3348 -2.7169 -2.7169 -2.0391 -2.0391 -2.0068 -2.0068 -1.9837 -1.9837 -1.9164 -1.9164 -1.7064 -1.7064 -1.6565 -1.6565 -1.6285 -1.6285 -1.5968 -1.5968 -1.5474 -1.5474 -1.4799 -1.4799 0.9427 0.9427 2.6433 2.6433 3.6279 3.6279 3.9853 3.9853 4.7701 4.7701 5.0559 5.0559 6.0890 6.0890 6.9257 6.9257 8.0127 8.0127 8.3308 8.3308 k = 0.1267 0.2194-0.0000 ( 15241 PWs) bands (ev): -40.6807 -40.6807 -40.6691 -40.6691 -40.4956 -40.4956 -40.4950 -40.4950 -3.3691 -3.3691 -2.7326 -2.7326 -2.0391 -2.0391 -2.0073 -2.0073 -1.9863 -1.9863 -1.9230 -1.9230 -1.7091 -1.7091 -1.6563 -1.6563 -1.6311 -1.6311 -1.5946 -1.5946 -1.5489 -1.5489 -1.4933 -1.4933 0.9067 0.9067 2.7742 2.7742 3.7429 3.7429 4.0852 4.0852 4.8268 4.8268 5.0861 5.0861 6.0424 6.0424 6.9484 6.9484 8.1112 8.1112 8.3145 8.3145 k = 0.1200 0.2078-0.0000 ( 15241 PWs) bands (ev): -40.6810 -40.6810 -40.6691 -40.6691 -40.4954 -40.4954 -40.4949 -40.4949 -3.4023 -3.4023 -2.7482 -2.7482 -2.0391 -2.0391 -2.0077 -2.0077 -1.9887 -1.9887 -1.9294 -1.9294 -1.7116 -1.7116 -1.6563 -1.6563 -1.6337 -1.6337 -1.5922 -1.5922 -1.5505 -1.5505 -1.5050 -1.5050 0.8716 0.8716 2.9067 2.9067 3.8596 3.8596 4.1869 4.1869 4.8759 4.8759 5.1211 5.1211 5.9973 5.9973 6.9737 6.9737 8.1606 8.1606 8.3394 8.3394 k = 0.1133 0.1963-0.0000 ( 15235 PWs) bands (ev): -40.6812 -40.6812 -40.6691 -40.6691 -40.4953 -40.4953 -40.4948 -40.4948 -3.4342 -3.4342 -2.7638 -2.7638 -2.0390 -2.0390 -2.0081 -2.0081 -1.9910 -1.9910 -1.9357 -1.9357 -1.7139 -1.7139 -1.6564 -1.6564 -1.6363 -1.6363 -1.5896 -1.5896 -1.5523 -1.5523 -1.5152 -1.5152 0.8376 0.8376 3.0405 3.0405 3.9770 3.9770 4.2908 4.2908 4.9154 4.9154 5.1631 5.1631 5.9538 5.9538 7.0012 7.0012 8.1536 8.1536 8.4020 8.4020 k = 0.1067 0.1848-0.0000 ( 15229 PWs) bands (ev): -40.6815 -40.6815 -40.6691 -40.6691 -40.4952 -40.4952 -40.4947 -40.4947 -3.4647 -3.4647 -2.7791 -2.7791 -2.0387 -2.0387 -2.0085 -2.0085 -1.9930 -1.9930 -1.9417 -1.9417 -1.7161 -1.7161 -1.6566 -1.6566 -1.6388 -1.6388 -1.5870 -1.5870 -1.5543 -1.5543 -1.5237 -1.5237 0.8049 0.8049 3.1753 3.1753 4.0943 4.0943 4.3968 4.3968 4.9448 4.9448 5.2129 5.2129 5.9123 5.9123 7.0300 7.0300 8.1253 8.1253 8.4492 8.4492 k = 0.1000 0.1732-0.0000 ( 15225 PWs) bands (ev): -40.6817 -40.6817 -40.6690 -40.6690 -40.4951 -40.4951 -40.4946 -40.4946 -3.4937 -3.4937 -2.7941 -2.7941 -2.0383 -2.0383 -2.0089 -2.0089 -1.9950 -1.9950 -1.9475 -1.9475 -1.7180 -1.7180 -1.6570 -1.6570 -1.6412 -1.6412 -1.5845 -1.5845 -1.5566 -1.5566 -1.5306 -1.5306 0.7737 0.7737 3.3106 3.3106 4.2106 4.2106 4.5052 4.5052 4.9659 4.9659 5.2690 5.2690 5.8729 5.8729 7.0597 7.0597 8.0905 8.0905 8.4562 8.4562 k = 0.0933 0.1617-0.0000 ( 15213 PWs) bands (ev): -40.6819 -40.6819 -40.6690 -40.6690 -40.4950 -40.4950 -40.4945 -40.4945 -3.5213 -3.5213 -2.8086 -2.8086 -2.0377 -2.0377 -2.0093 -2.0093 -1.9968 -1.9968 -1.9531 -1.9531 -1.7198 -1.7198 -1.6575 -1.6575 -1.6436 -1.6436 -1.5821 -1.5821 -1.5593 -1.5593 -1.5358 -1.5358 0.7441 0.7441 3.4459 3.4459 4.3251 4.3251 4.6160 4.6160 4.9811 4.9811 5.3292 5.3292 5.8357 5.8357 7.0898 7.0898 8.0528 8.0528 8.4323 8.4323 k = 0.0867 0.1501-0.0000 ( 15223 PWs) bands (ev): -40.6821 -40.6821 -40.6690 -40.6690 -40.4949 -40.4949 -40.4944 -40.4944 -3.5472 -3.5472 -2.8226 -2.8226 -2.0370 -2.0370 -2.0096 -2.0096 -1.9985 -1.9985 -1.9584 -1.9584 -1.7214 -1.7214 -1.6581 -1.6581 -1.6459 -1.6459 -1.5799 -1.5799 -1.5621 -1.5621 -1.5396 -1.5396 0.7162 0.7162 3.5804 3.5804 4.4368 4.4368 4.7293 4.7293 4.9927 4.9927 5.3915 5.3915 5.8009 5.8009 7.1200 7.1200 8.0133 8.0133 8.3939 8.3939 k = 0.0800 0.1386-0.0000 ( 15221 PWs) bands (ev): -40.6823 -40.6823 -40.6690 -40.6690 -40.4948 -40.4948 -40.4943 -40.4943 -3.5714 -3.5714 -2.8360 -2.8360 -2.0362 -2.0362 -2.0099 -2.0099 -2.0000 -2.0000 -1.9635 -1.9635 -1.7229 -1.7229 -1.6588 -1.6588 -1.6482 -1.6482 -1.5783 -1.5783 -1.5645 -1.5645 -1.5424 -1.5424 0.6901 0.6901 3.7133 3.7133 4.5450 4.5450 4.8446 4.8446 5.0027 5.0027 5.4541 5.4541 5.7687 5.7687 7.1499 7.1499 7.9726 7.9726 8.3507 8.3507 k = 0.0733 0.1270-0.0000 ( 15209 PWs) bands (ev): -40.6825 -40.6825 -40.6690 -40.6690 -40.4948 -40.4948 -40.4942 -40.4942 -3.5939 -3.5939 -2.8486 -2.8486 -2.0353 -2.0353 -2.0101 -2.0101 -2.0015 -2.0015 -1.9683 -1.9683 -1.7242 -1.7242 -1.6595 -1.6595 -1.6504 -1.6504 -1.5777 -1.5777 -1.5660 -1.5660 -1.5443 -1.5443 0.6658 0.6658 3.8436 3.8436 4.6489 4.6489 4.9613 4.9613 5.0128 5.0128 5.5158 5.5158 5.7392 5.7392 7.1794 7.1794 7.9311 7.9311 8.3073 8.3073 k = 0.0667 0.1155-0.0000 ( 15225 PWs) bands (ev): -40.6827 -40.6827 -40.6690 -40.6690 -40.4947 -40.4947 -40.4941 -40.4941 -3.6145 -3.6145 -2.8604 -2.8604 -2.0343 -2.0343 -2.0103 -2.0103 -2.0028 -2.0028 -1.9729 -1.9729 -1.7253 -1.7253 -1.6603 -1.6603 -1.6526 -1.6526 -1.5783 -1.5783 -1.5660 -1.5660 -1.5458 -1.5458 0.6435 0.6435 3.9697 3.9697 4.7480 4.7480 5.0238 5.0238 5.0788 5.0788 5.5755 5.5755 5.7127 5.7127 7.2083 7.2083 7.8895 7.8895 8.2662 8.2662 k = 0.0600 0.1039-0.0000 ( 15221 PWs) bands (ev): -40.6829 -40.6829 -40.6690 -40.6690 -40.4946 -40.4946 -40.4941 -40.4941 -3.6334 -3.6334 -2.8714 -2.8714 -2.0331 -2.0331 -2.0105 -2.0105 -2.0040 -2.0040 -1.9772 -1.9772 -1.7263 -1.7263 -1.6610 -1.6610 -1.6546 -1.6546 -1.5797 -1.5797 -1.5651 -1.5651 -1.5469 -1.5469 0.6231 0.6231 4.0899 4.0899 4.8418 4.8418 5.0383 5.0383 5.1946 5.1946 5.6321 5.6321 5.6894 5.6894 7.2364 7.2364 7.8489 7.8489 8.2286 8.2286 k = 0.0533 0.0924-0.0000 ( 15233 PWs) bands (ev): -40.6830 -40.6830 -40.6690 -40.6690 -40.4945 -40.4945 -40.4940 -40.4940 -3.6504 -3.6504 -2.8813 -2.8813 -2.0319 -2.0319 -2.0106 -2.0106 -2.0052 -2.0052 -1.9813 -1.9813 -1.7271 -1.7271 -1.6617 -1.6617 -1.6565 -1.6565 -1.5813 -1.5813 -1.5638 -1.5638 -1.5478 -1.5478 0.6048 0.6048 4.2019 4.2019 4.9295 4.9295 5.0573 5.0573 5.3073 5.3073 5.6693 5.6693 5.6855 5.6855 7.2634 7.2634 7.8107 7.8107 8.1953 8.1953 k = 0.0467 0.0808-0.0000 ( 15239 PWs) bands (ev): -40.6831 -40.6831 -40.6691 -40.6691 -40.4945 -40.4945 -40.4939 -40.4939 -3.6654 -3.6654 -2.8902 -2.8902 -2.0305 -2.0305 -2.0106 -2.0106 -2.0062 -2.0062 -1.9852 -1.9852 -1.7278 -1.7278 -1.6624 -1.6624 -1.6583 -1.6583 -1.5828 -1.5828 -1.5624 -1.5624 -1.5484 -1.5484 0.5886 0.5886 4.3031 4.3031 5.0101 5.0101 5.0826 5.0826 5.4131 5.4131 5.6557 5.6557 5.7332 5.7332 7.2886 7.2886 7.7768 7.7768 8.1662 8.1662 k = 0.0400 0.0693-0.0000 ( 15233 PWs) bands (ev): -40.6832 -40.6832 -40.6691 -40.6691 -40.4944 -40.4944 -40.4939 -40.4939 -3.6785 -3.6785 -2.8981 -2.8981 -2.0291 -2.0291 -2.0106 -2.0106 -2.0071 -2.0071 -1.9887 -1.9887 -1.7284 -1.7284 -1.6630 -1.6630 -1.6598 -1.6598 -1.5841 -1.5841 -1.5611 -1.5611 -1.5489 -1.5489 0.5744 0.5744 4.3908 4.3908 5.0816 5.0816 5.1166 5.1166 5.5045 5.5045 5.6527 5.6527 5.7755 5.7755 7.3109 7.3109 7.7496 7.7496 8.0890 8.0890 k = 0.0333 0.0577-0.0000 ( 15237 PWs) bands (ev): -40.6833 -40.6833 -40.6691 -40.6691 -40.4944 -40.4944 -40.4939 -40.4939 -3.6896 -3.6896 -2.9048 -2.9048 -2.0277 -2.0277 -2.0105 -2.0105 -2.0080 -2.0080 -1.9920 -1.9920 -1.7289 -1.7289 -1.6635 -1.6635 -1.6612 -1.6612 -1.5853 -1.5853 -1.5599 -1.5599 -1.5492 -1.5492 0.5624 0.5624 4.4630 4.4630 5.1389 5.1389 5.1627 5.1627 5.5611 5.5611 5.6783 5.6783 5.8116 5.8116 7.3287 7.3287 7.7314 7.7314 7.9869 7.9869 k = 0.0267 0.0462-0.0000 ( 15251 PWs) bands (ev): -40.6834 -40.6834 -40.6691 -40.6691 -40.4944 -40.4944 -40.4938 -40.4938 -3.6988 -3.6988 -2.9104 -2.9104 -2.0263 -2.0263 -2.0103 -2.0103 -2.0087 -2.0087 -1.9950 -1.9950 -1.7293 -1.7293 -1.6640 -1.6640 -1.6624 -1.6624 -1.5861 -1.5861 -1.5590 -1.5590 -1.5494 -1.5494 0.5525 0.5525 4.5191 4.5191 5.1857 5.1857 5.2141 5.2141 5.5765 5.5765 5.7364 5.7364 5.8408 5.8408 7.3398 7.3398 7.7243 7.7243 7.9037 7.9037 k = 0.0200 0.0346-0.0000 ( 15243 PWs) bands (ev): -40.6835 -40.6835 -40.6691 -40.6691 -40.4943 -40.4943 -40.4938 -40.4938 -3.7059 -3.7059 -2.9147 -2.9147 -2.0250 -2.0250 -2.0101 -2.0101 -2.0093 -2.0093 -1.9975 -1.9975 -1.7296 -1.7296 -1.6644 -1.6644 -1.6633 -1.6633 -1.5868 -1.5868 -1.5583 -1.5583 -1.5495 -1.5495 0.5448 0.5448 4.5597 4.5597 5.2283 5.2283 5.2587 5.2587 5.5776 5.5776 5.7965 5.7965 5.8631 5.8631 7.3427 7.3427 7.7296 7.7296 7.8443 7.8443 k = 0.0133 0.0231-0.0000 ( 15247 PWs) bands (ev): -40.6835 -40.6835 -40.6691 -40.6691 -40.4943 -40.4943 -40.4938 -40.4938 -3.7110 -3.7110 -2.9179 -2.9179 -2.0240 -2.0240 -2.0100 -2.0100 -2.0095 -2.0095 -1.9996 -1.9996 -1.7298 -1.7298 -1.6646 -1.6646 -1.6639 -1.6639 -1.5873 -1.5873 -1.5578 -1.5578 -1.5495 -1.5495 0.5393 0.5393 4.5868 4.5868 5.2633 5.2633 5.2931 5.2931 5.5765 5.5765 5.8430 5.8430 5.8794 5.8794 7.3388 7.3388 7.7457 7.7457 7.8101 7.8101 k = 0.0067 0.0115-0.0000 ( 15249 PWs) bands (ev): -40.6836 -40.6836 -40.6691 -40.6691 -40.4943 -40.4943 -40.4938 -40.4938 -3.7140 -3.7140 -2.9197 -2.9197 -2.0233 -2.0233 -2.0102 -2.0102 -2.0093 -2.0093 -2.0010 -2.0010 -1.7299 -1.7299 -1.6648 -1.6648 -1.6643 -1.6643 -1.5876 -1.5876 -1.5575 -1.5575 -1.5495 -1.5495 0.5360 0.5360 4.6021 4.6021 5.2859 5.2859 5.3155 5.3155 5.5757 5.5757 5.8694 5.8694 5.8917 5.8917 7.3326 7.3326 7.7627 7.7627 7.7997 7.7997 k = 0.0000 0.0000 0.0000 ( 15273 PWs) bands (ev): -40.6836 -40.6836 -40.6691 -40.6691 -40.4943 -40.4943 -40.4938 -40.4938 -3.7150 -3.7150 -2.9204 -2.9204 -2.0230 -2.0230 -2.0103 -2.0103 -2.0091 -2.0091 -2.0016 -2.0016 -1.7299 -1.7299 -1.6649 -1.6649 -1.6645 -1.6645 -1.5877 -1.5877 -1.5574 -1.5574 -1.5495 -1.5495 0.5349 0.5349 4.6070 4.6070 5.2936 5.2936 5.3234 5.3234 5.5755 5.5755 5.8766 5.8766 5.8975 5.8975 7.3298 7.3298 7.7676 7.7676 7.8028 7.8028 k = 0.0000 0.0000 0.0000 ( 15273 PWs) bands (ev): -40.6836 -40.6836 -40.6691 -40.6691 -40.4943 -40.4943 -40.4938 -40.4938 -3.7150 -3.7150 -2.9204 -2.9204 -2.0230 -2.0230 -2.0103 -2.0103 -2.0091 -2.0091 -2.0016 -2.0016 -1.7299 -1.7299 -1.6649 -1.6649 -1.6645 -1.6645 -1.5877 -1.5877 -1.5574 -1.5574 -1.5495 -1.5495 0.5349 0.5349 4.6070 4.6070 5.2936 5.2936 5.3234 5.3234 5.5755 5.5755 5.8766 5.8766 5.8975 5.8975 7.3298 7.3298 7.7676 7.7676 7.8028 7.8028 k = 0.0000 0.0000 0.0129 ( 15255 PWs) bands (ev): -40.6836 -40.6836 -40.6691 -40.6691 -40.4943 -40.4943 -40.4938 -40.4938 -3.7145 -3.7145 -2.9215 -2.9215 -2.0230 -2.0230 -2.0103 -2.0103 -2.0091 -2.0091 -2.0017 -2.0017 -1.7300 -1.7300 -1.6649 -1.6649 -1.6644 -1.6644 -1.5877 -1.5877 -1.5574 -1.5574 -1.5496 -1.5496 0.5388 0.5388 4.5765 4.5765 5.2946 5.2946 5.3242 5.3242 5.6074 5.6074 5.8758 5.8758 5.8967 5.8967 7.3298 7.3298 7.7660 7.7660 7.8013 7.8013 k = 0.0000 0.0000 0.0258 ( 15249 PWs) bands (ev): -40.6836 -40.6836 -40.6691 -40.6691 -40.4943 -40.4943 -40.4938 -40.4938 -3.7128 -3.7128 -2.9247 -2.9247 -2.0230 -2.0230 -2.0104 -2.0104 -2.0091 -2.0091 -2.0023 -2.0023 -1.7304 -1.7304 -1.6649 -1.6649 -1.6644 -1.6644 -1.5876 -1.5876 -1.5574 -1.5574 -1.5496 -1.5496 0.5505 0.5505 4.4947 4.4947 5.2974 5.2974 5.3266 5.3266 5.6935 5.6935 5.8732 5.8732 5.8941 5.8941 7.3298 7.3298 7.7614 7.7614 7.7969 7.7969 k = 0.0000 0.0000 0.0387 ( 15249 PWs) bands (ev): -40.6836 -40.6836 -40.6691 -40.6691 -40.4943 -40.4943 -40.4938 -40.4938 -3.7100 -3.7100 -2.9301 -2.9301 -2.0230 -2.0230 -2.0104 -2.0104 -2.0091 -2.0091 -2.0032 -2.0032 -1.7309 -1.7309 -1.6648 -1.6648 -1.6644 -1.6644 -1.5876 -1.5876 -1.5574 -1.5574 -1.5498 -1.5498 0.5699 0.5699 4.3804 4.3804 5.3018 5.3018 5.3307 5.3307 5.8147 5.8147 5.8694 5.8694 5.8898 5.8898 7.3301 7.3301 7.7541 7.7541 7.7897 7.7897 k = 0.0000 0.0000 0.0516 ( 15248 PWs) bands (ev): -40.6836 -40.6836 -40.6691 -40.6691 -40.4943 -40.4943 -40.4938 -40.4938 -3.7061 -3.7061 -2.9375 -2.9375 -2.0230 -2.0230 -2.0104 -2.0104 -2.0091 -2.0091 -2.0043 -2.0043 -1.7317 -1.7317 -1.6648 -1.6648 -1.6644 -1.6644 -1.5876 -1.5876 -1.5575 -1.5575 -1.5499 -1.5499 0.5968 0.5968 4.2481 4.2481 5.3076 5.3076 5.3364 5.3364 5.8620 5.8620 5.8838 5.8838 5.9584 5.9584 7.3310 7.3310 7.7445 7.7445 7.7803 7.7803 k = 0.0000 0.0000 0.0646 ( 15236 PWs) bands (ev): -40.6836 -40.6836 -40.6691 -40.6691 -40.4943 -40.4943 -40.4938 -40.4938 -3.7012 -3.7012 -2.9467 -2.9467 -2.0230 -2.0230 -2.0104 -2.0104 -2.0091 -2.0091 -2.0058 -2.0058 -1.7326 -1.7326 -1.6648 -1.6648 -1.6643 -1.6643 -1.5875 -1.5875 -1.5575 -1.5575 -1.5501 -1.5501 0.6310 0.6310 4.1063 4.1063 5.3150 5.3150 5.3437 5.3437 5.8544 5.8544 5.8762 5.8762 6.1122 6.1122 7.3330 7.3330 7.7331 7.7331 7.7691 7.7691 k = 0.0000 0.0000 0.0775 ( 15242 PWs) bands (ev): -40.6836 -40.6836 -40.6691 -40.6691 -40.4943 -40.4943 -40.4938 -40.4938 -3.6954 -3.6954 -2.9576 -2.9576 -2.0230 -2.0230 -2.0104 -2.0104 -2.0091 -2.0091 -2.0075 -2.0075 -1.7336 -1.7336 -1.6647 -1.6647 -1.6643 -1.6643 -1.5875 -1.5875 -1.5575 -1.5575 -1.5503 -1.5503 0.6722 0.6722 3.9598 3.9598 5.3240 5.3240 5.3526 5.3526 5.8450 5.8450 5.8669 5.8669 6.2721 6.2721 7.3370 7.3370 7.7206 7.7206 7.7567 7.7567 k = 0.0000 0.0000 0.0904 ( 15236 PWs) bands (ev): -40.6836 -40.6836 -40.6691 -40.6691 -40.4943 -40.4943 -40.4938 -40.4938 -3.6886 -3.6886 -2.9701 -2.9701 -2.0230 -2.0230 -2.0105 -2.0105 -2.0093 -2.0093 -2.0091 -2.0091 -1.7347 -1.7347 -1.6647 -1.6647 -1.6642 -1.6642 -1.5874 -1.5874 -1.5575 -1.5575 -1.5506 -1.5506 0.7202 0.7202 3.8114 3.8114 5.3344 5.3344 5.3629 5.3629 5.8339 5.8339 5.8560 5.8560 6.4334 6.4334 7.3445 7.3445 7.7073 7.7073 7.7435 7.7435 k = 0.0000 0.0000 0.1033 ( 15206 PWs) bands (ev): -40.6836 -40.6836 -40.6691 -40.6691 -40.4943 -40.4943 -40.4938 -40.4938 -3.6810 -3.6810 -2.9838 -2.9838 -2.0230 -2.0230 -2.0112 -2.0112 -2.0105 -2.0105 -2.0091 -2.0091 -1.7358 -1.7358 -1.6647 -1.6647 -1.6642 -1.6642 -1.5873 -1.5873 -1.5576 -1.5576 -1.5508 -1.5508 0.7745 0.7745 3.6629 3.6629 5.3462 5.3462 5.3747 5.3747 5.8211 5.8211 5.8436 5.8436 6.5919 6.5919 7.3579 7.3579 7.6938 7.6938 7.7300 7.7300 k = 0.0000 0.0000 0.1162 ( 15212 PWs) bands (ev): -40.6836 -40.6836 -40.6691 -40.6691 -40.4943 -40.4943 -40.4938 -40.4938 -3.6728 -3.6728 -2.9984 -2.9984 -2.0230 -2.0230 -2.0131 -2.0131 -2.0105 -2.0105 -2.0091 -2.0091 -1.7370 -1.7370 -1.6646 -1.6646 -1.6641 -1.6641 -1.5872 -1.5872 -1.5576 -1.5576 -1.5511 -1.5511 0.8347 0.8347 3.5154 3.5154 5.3595 5.3595 5.3879 5.3879 5.8069 5.8069 5.8296 5.8296 6.7416 6.7416 7.3816 7.3816 7.6805 7.6805 7.7167 7.7167 k = 0.0000 0.0000 0.1291 ( 15230 PWs) bands (ev): -40.6836 -40.6836 -40.6691 -40.6691 -40.4943 -40.4943 -40.4938 -40.4938 -3.6639 -3.6639 -3.0138 -3.0138 -2.0230 -2.0230 -2.0151 -2.0151 -2.0106 -2.0106 -2.0091 -2.0091 -1.7381 -1.7381 -1.6646 -1.6646 -1.6641 -1.6641 -1.5872 -1.5872 -1.5576 -1.5576 -1.5513 -1.5513 0.9005 0.9005 3.3697 3.3697 5.3741 5.3741 5.4024 5.4024 5.7913 5.7913 5.8143 5.8143 6.8740 6.8740 7.4225 7.4225 7.6679 7.6679 7.7038 7.7038 k = 0.0000 0.0000 0.1420 ( 15236 PWs) bands (ev): -40.6836 -40.6836 -40.6691 -40.6691 -40.4943 -40.4943 -40.4938 -40.4938 -3.6547 -3.6547 -3.0295 -3.0295 -2.0230 -2.0230 -2.0169 -2.0169 -2.0106 -2.0106 -2.0091 -2.0091 -1.7392 -1.7392 -1.6646 -1.6646 -1.6640 -1.6640 -1.5871 -1.5871 -1.5577 -1.5577 -1.5515 -1.5515 0.9713 0.9713 3.2266 3.2266 5.3899 5.3899 5.4182 5.4182 5.7743 5.7743 5.7976 5.7976 6.9787 6.9787 7.4888 7.4888 7.6565 7.6565 7.6917 7.6917 k = 0.0000 0.0000 0.1549 ( 15236 PWs) bands (ev): -40.6836 -40.6836 -40.6691 -40.6691 -40.4943 -40.4943 -40.4938 -40.4938 -3.6453 -3.6453 -3.0452 -3.0452 -2.0231 -2.0231 -2.0187 -2.0187 -2.0106 -2.0106 -2.0091 -2.0091 -1.7402 -1.7402 -1.6645 -1.6645 -1.6639 -1.6639 -1.5870 -1.5870 -1.5577 -1.5577 -1.5517 -1.5517 1.0465 1.0465 3.0869 3.0869 5.4069 5.4069 5.4352 5.4352 5.7562 5.7562 5.7798 5.7798 7.0504 7.0504 7.5809 7.5809 7.6488 7.6488 7.6805 7.6805 k = 0.0000 0.0000 0.1679 ( 15230 PWs) bands (ev): -40.6836 -40.6836 -40.6691 -40.6691 -40.4943 -40.4943 -40.4938 -40.4938 -3.6360 -3.6360 -3.0606 -3.0606 -2.0232 -2.0232 -2.0202 -2.0202 -2.0106 -2.0106 -2.0092 -2.0092 -1.7411 -1.7411 -1.6645 -1.6645 -1.6639 -1.6639 -1.5869 -1.5869 -1.5577 -1.5577 -1.5519 -1.5519 1.1253 1.1253 2.9512 2.9512 5.4250 5.4250 5.4532 5.4532 5.7370 5.7370 5.7609 5.7609 7.0942 7.0942 7.6286 7.6286 7.6705 7.6705 7.7058 7.7058 k = 0.0000 0.0000 0.1808 ( 15242 PWs) bands (ev): -40.6836 -40.6836 -40.6691 -40.6691 -40.4943 -40.4943 -40.4938 -40.4938 -3.6269 -3.6269 -3.0751 -3.0751 -2.0235 -2.0235 -2.0214 -2.0214 -2.0107 -2.0107 -2.0092 -2.0092 -1.7419 -1.7419 -1.6645 -1.6645 -1.6638 -1.6638 -1.5869 -1.5869 -1.5578 -1.5578 -1.5521 -1.5521 1.2067 1.2067 2.8205 2.8205 5.4439 5.4439 5.4721 5.4721 5.7169 5.7169 5.7411 5.7411 7.1198 7.1198 7.6229 7.6229 7.6618 7.6618 7.8194 7.8194 k = 0.0000 0.0000 0.1937 ( 15212 PWs) bands (ev): -40.6836 -40.6836 -40.6691 -40.6691 -40.4943 -40.4943 -40.4938 -40.4938 -3.6184 -3.6184 -3.0884 -3.0884 -2.0241 -2.0241 -2.0221 -2.0221 -2.0107 -2.0107 -2.0092 -2.0092 -1.7426 -1.7426 -1.6645 -1.6645 -1.6638 -1.6638 -1.5868 -1.5868 -1.5578 -1.5578 -1.5522 -1.5522 1.2894 1.2894 2.6963 2.6963 5.4636 5.4636 5.4917 5.4917 5.6962 5.6962 5.7206 5.7206 7.1348 7.1348 7.6162 7.6162 7.6543 7.6543 7.9189 7.9189 k = 0.0000 0.0000 0.2066 ( 15242 PWs) bands (ev): -40.6836 -40.6836 -40.6691 -40.6691 -40.4943 -40.4943 -40.4938 -40.4938 -3.6109 -3.6109 -3.1001 -3.1001 -2.0249 -2.0249 -2.0224 -2.0224 -2.0107 -2.0107 -2.0092 -2.0092 -1.7432 -1.7432 -1.6645 -1.6645 -1.6637 -1.6637 -1.5868 -1.5868 -1.5578 -1.5578 -1.5523 -1.5523 1.3712 1.3712 2.5807 2.5807 5.4839 5.4839 5.5120 5.5120 5.6751 5.6751 5.6997 5.6997 7.1437 7.1437 7.6104 7.6104 7.6482 7.6482 7.9889 7.9889 k = 0.0000 0.0000 0.2195 ( 15248 PWs) bands (ev): -40.6836 -40.6836 -40.6691 -40.6691 -40.4943 -40.4943 -40.4938 -40.4938 -3.6046 -3.6046 -3.1098 -3.1098 -2.0257 -2.0257 -2.0225 -2.0225 -2.0107 -2.0107 -2.0092 -2.0092 -1.7437 -1.7437 -1.6645 -1.6645 -1.6637 -1.6637 -1.5867 -1.5867 -1.5578 -1.5578 -1.5524 -1.5524 1.4485 1.4485 2.4771 2.4771 5.5042 5.5042 5.5324 5.5324 5.6540 5.6540 5.6787 5.6787 7.1490 7.1490 7.6058 7.6058 7.6435 7.6435 8.0096 8.0096 k = 0.0000 0.0000 0.2324 ( 15248 PWs) bands (ev): -40.6836 -40.6836 -40.6691 -40.6691 -40.4943 -40.4943 -40.4938 -40.4938 -3.5998 -3.5998 -3.1170 -3.1170 -2.0263 -2.0263 -2.0225 -2.0225 -2.0107 -2.0107 -2.0092 -2.0092 -1.7440 -1.7440 -1.6644 -1.6644 -1.6637 -1.6637 -1.5867 -1.5867 -1.5579 -1.5579 -1.5525 -1.5525 1.5155 1.5155 2.3913 2.3913 5.5240 5.5240 5.5523 5.5523 5.6337 5.6337 5.6583 5.6583 7.1521 7.1521 7.6025 7.6025 7.6401 7.6401 8.0080 8.0080 k = 0.0000 0.0000 0.2453 ( 15230 PWs) bands (ev): -40.6836 -40.6836 -40.6691 -40.6691 -40.4943 -40.4943 -40.4938 -40.4938 -3.5968 -3.5968 -3.1214 -3.1214 -2.0266 -2.0266 -2.0225 -2.0225 -2.0107 -2.0107 -2.0092 -2.0092 -1.7442 -1.7442 -1.6644 -1.6644 -1.6637 -1.6637 -1.5867 -1.5867 -1.5579 -1.5579 -1.5525 -1.5525 1.5631 1.5631 2.3325 2.3325 5.5409 5.5409 5.5697 5.5697 5.6164 5.6164 5.6406 5.6406 7.1537 7.1537 7.6005 7.6005 7.6381 7.6381 8.0065 8.0065 k = 0.0000 0.0000 0.2582 ( 15230 PWs) bands (ev): -40.6836 -40.6836 -40.6691 -40.6691 -40.4943 -40.4943 -40.4938 -40.4938 -3.5958 -3.5958 -3.1230 -3.1230 -2.0267 -2.0267 -2.0225 -2.0225 -2.0107 -2.0107 -2.0092 -2.0092 -1.7442 -1.7442 -1.6644 -1.6644 -1.6637 -1.6637 -1.5867 -1.5867 -1.5579 -1.5579 -1.5525 -1.5525 1.5807 1.5807 2.3111 2.3111 5.5488 5.5488 5.5781 5.5781 5.6084 5.6084 5.6322 5.6322 7.1542 7.1542 7.5999 7.5999 7.6374 7.6374 8.0059 8.0059 k = 0.0000 0.0000 0.2582 ( 15230 PWs) bands (ev): -40.6836 -40.6836 -40.6691 -40.6691 -40.4943 -40.4943 -40.4938 -40.4938 -3.5958 -3.5958 -3.1230 -3.1230 -2.0267 -2.0267 -2.0225 -2.0225 -2.0107 -2.0107 -2.0092 -2.0092 -1.7442 -1.7442 -1.6644 -1.6644 -1.6637 -1.6637 -1.5867 -1.5867 -1.5579 -1.5579 -1.5525 -1.5525 1.5807 1.5807 2.3111 2.3111 5.5488 5.5488 5.5781 5.5781 5.6084 5.6084 5.6322 5.6322 7.1542 7.1542 7.5999 7.5999 7.6374 7.6374 8.0059 8.0059 k = 0.0116 0.0067 0.2582 ( 15238 PWs) bands (ev): -40.6836 -40.6836 -40.6691 -40.6691 -40.4943 -40.4943 -40.4938 -40.4938 -3.5947 -3.5947 -3.1222 -3.1222 -2.0275 -2.0275 -2.0218 -2.0218 -2.0106 -2.0106 -2.0091 -2.0091 -1.7442 -1.7442 -1.6644 -1.6644 -1.6636 -1.6636 -1.5866 -1.5866 -1.5580 -1.5580 -1.5525 -1.5525 1.5815 1.5815 2.3121 2.3121 5.5355 5.5355 5.5672 5.5672 5.5991 5.5991 5.6233 5.6233 7.1614 7.1614 7.6095 7.6095 7.6469 7.6469 7.9969 7.9969 k = 0.0233 0.0134 0.2582 ( 15234 PWs) bands (ev): -40.6835 -40.6835 -40.6691 -40.6691 -40.4943 -40.4943 -40.4938 -40.4938 -3.5916 -3.5916 -3.1200 -3.1200 -2.0290 -2.0290 -2.0203 -2.0203 -2.0103 -2.0103 -2.0087 -2.0087 -1.7440 -1.7440 -1.6642 -1.6642 -1.6633 -1.6633 -1.5865 -1.5865 -1.5582 -1.5582 -1.5525 -1.5525 1.5838 1.5838 2.3149 2.3149 5.4877 5.4877 5.5454 5.5454 5.5670 5.5670 5.6018 5.6018 7.1806 7.1806 7.6365 7.6365 7.6738 7.6738 7.9804 7.9804 k = 0.0349 0.0201 0.2582 ( 15232 PWs) bands (ev): -40.6835 -40.6835 -40.6691 -40.6691 -40.4943 -40.4943 -40.4938 -40.4938 -3.5865 -3.5865 -3.1164 -3.1164 -2.0306 -2.0306 -2.0187 -2.0187 -2.0097 -2.0097 -2.0080 -2.0080 -1.7437 -1.7437 -1.6639 -1.6639 -1.6629 -1.6629 -1.5862 -1.5862 -1.5587 -1.5587 -1.5524 -1.5524 1.5877 1.5877 2.3195 2.3195 5.4068 5.4068 5.5065 5.5065 5.5211 5.5211 5.5725 5.5725 7.2062 7.2062 7.6764 7.6764 7.7118 7.7118 7.9820 7.9820 k = 0.0465 0.0269 0.2582 ( 15222 PWs) bands (ev): -40.6834 -40.6834 -40.6691 -40.6691 -40.4943 -40.4943 -40.4938 -40.4938 -3.5792 -3.5792 -3.1114 -3.1114 -2.0323 -2.0323 -2.0174 -2.0174 -2.0089 -2.0089 -2.0068 -2.0068 -1.7433 -1.7433 -1.6636 -1.6636 -1.6623 -1.6623 -1.5858 -1.5858 -1.5595 -1.5595 -1.5523 -1.5523 1.5930 1.5930 2.3260 2.3260 5.3020 5.3020 5.4298 5.4298 5.4850 5.4850 5.5353 5.5353 7.2325 7.2325 7.7188 7.7188 7.7522 7.7522 8.0190 8.0190 k = 0.0581 0.0336 0.2582 ( 15222 PWs) bands (ev): -40.6833 -40.6833 -40.6691 -40.6691 -40.4944 -40.4944 -40.4939 -40.4939 -3.5700 -3.5700 -3.1049 -3.1049 -2.0338 -2.0338 -2.0164 -2.0164 -2.0081 -2.0081 -2.0049 -2.0049 -1.7427 -1.7427 -1.6632 -1.6632 -1.6615 -1.6615 -1.5852 -1.5852 -1.5604 -1.5604 -1.5520 -1.5520 1.5998 1.5998 2.3343 2.3343 5.1801 5.1801 5.3363 5.3363 5.4429 5.4429 5.4906 5.4906 7.2552 7.2552 7.7361 7.7361 7.8096 7.8096 8.0987 8.0987 k = 0.0698 0.0403 0.2582 ( 15218 PWs) bands (ev): -40.6832 -40.6832 -40.6690 -40.6690 -40.4944 -40.4944 -40.4939 -40.4939 -3.5587 -3.5587 -3.0970 -3.0970 -2.0352 -2.0352 -2.0156 -2.0156 -2.0073 -2.0073 -2.0025 -2.0025 -1.7420 -1.7420 -1.6627 -1.6627 -1.6605 -1.6605 -1.5845 -1.5845 -1.5616 -1.5616 -1.5517 -1.5517 1.6079 1.6079 2.3443 2.3443 5.0460 5.0460 5.2307 5.2307 5.3946 5.3946 5.4396 5.4396 7.2722 7.2722 7.7312 7.7312 7.8840 7.8840 8.2110 8.2110 k = 0.0814 0.0470 0.2582 ( 15220 PWs) bands (ev): -40.6831 -40.6831 -40.6690 -40.6690 -40.4945 -40.4945 -40.4940 -40.4940 -3.5454 -3.5454 -3.0878 -3.0878 -2.0365 -2.0365 -2.0150 -2.0150 -2.0063 -2.0063 -1.9996 -1.9996 -1.7412 -1.7412 -1.6621 -1.6621 -1.6594 -1.6594 -1.5837 -1.5837 -1.5629 -1.5629 -1.5513 -1.5513 1.6173 1.6173 2.3560 2.3560 4.9036 4.9036 5.1161 5.1161 5.3413 5.3413 5.3836 5.3836 7.2830 7.2830 7.7167 7.7167 7.9689 7.9689 8.3414 8.3414 k = 0.0930 0.0537 0.2582 ( 15224 PWs) bands (ev): -40.6830 -40.6830 -40.6690 -40.6690 -40.4945 -40.4945 -40.4940 -40.4940 -3.5302 -3.5302 -3.0773 -3.0773 -2.0377 -2.0377 -2.0145 -2.0145 -2.0053 -2.0053 -1.9963 -1.9963 -1.7402 -1.7402 -1.6615 -1.6615 -1.6581 -1.6581 -1.5828 -1.5828 -1.5643 -1.5643 -1.5507 -1.5507 1.6279 1.6279 2.3693 2.3693 4.7555 4.7555 4.9953 4.9953 5.2839 5.2839 5.3235 5.3235 7.2873 7.2873 7.6975 7.6975 8.0622 8.0622 8.4620 8.4620 k = 0.1047 0.0604 0.2582 ( 15244 PWs) bands (ev): -40.6829 -40.6829 -40.6690 -40.6690 -40.4946 -40.4946 -40.4941 -40.4941 -3.5130 -3.5130 -3.0655 -3.0655 -2.0388 -2.0388 -2.0140 -2.0140 -2.0041 -2.0041 -1.9927 -1.9927 -1.7390 -1.7390 -1.6609 -1.6609 -1.6566 -1.6566 -1.5819 -1.5819 -1.5657 -1.5657 -1.5501 -1.5501 1.6395 1.6395 2.3842 2.3842 4.6038 4.6038 4.8701 4.8701 5.2234 5.2234 5.2605 5.2605 7.2857 7.2857 7.6755 7.6755 8.1623 8.1623 8.5318 8.5318 k = 0.1163 0.0671 0.2582 ( 15230 PWs) bands (ev): -40.6827 -40.6827 -40.6690 -40.6690 -40.4947 -40.4947 -40.4942 -40.4942 -3.4940 -3.4940 -3.0525 -3.0525 -2.0397 -2.0397 -2.0136 -2.0136 -2.0027 -2.0027 -1.9888 -1.9888 -1.7377 -1.7377 -1.6602 -1.6602 -1.6551 -1.6551 -1.5811 -1.5811 -1.5668 -1.5668 -1.5493 -1.5493 1.6519 1.6519 2.4003 2.4003 4.4501 4.4501 4.7424 4.7424 5.1606 5.1606 5.1955 5.1955 7.2784 7.2784 7.6514 7.6514 8.2682 8.2682 8.5208 8.5208 k = 0.1279 0.0738 0.2582 ( 15230 PWs) bands (ev): -40.6825 -40.6825 -40.6690 -40.6690 -40.4948 -40.4948 -40.4942 -40.4942 -3.4731 -3.4731 -3.0384 -3.0384 -2.0406 -2.0406 -2.0132 -2.0132 -2.0013 -2.0013 -1.9847 -1.9847 -1.7362 -1.7362 -1.6594 -1.6594 -1.6534 -1.6534 -1.5808 -1.5808 -1.5672 -1.5672 -1.5485 -1.5485 1.6649 1.6649 2.4177 2.4177 4.2956 4.2956 4.6135 4.6135 5.0963 5.0963 5.1292 5.1292 7.2657 7.2657 7.6256 7.6256 8.3784 8.3784 8.4914 8.4914 k = 0.1395 0.0806 0.2582 ( 15214 PWs) bands (ev): -40.6823 -40.6823 -40.6690 -40.6690 -40.4948 -40.4948 -40.4943 -40.4943 -3.4505 -3.4505 -3.0231 -3.0231 -2.0413 -2.0413 -2.0128 -2.0128 -1.9996 -1.9996 -1.9802 -1.9802 -1.7345 -1.7345 -1.6587 -1.6587 -1.6516 -1.6516 -1.5813 -1.5813 -1.5664 -1.5664 -1.5476 -1.5476 1.6783 1.6783 2.4359 2.4359 4.1415 4.1415 4.4846 4.4846 5.0312 5.0312 5.0622 5.0622 7.2479 7.2479 7.5982 7.5982 8.4519 8.4519 8.4955 8.4955 k = 0.1512 0.0873 0.2582 ( 15210 PWs) bands (ev): -40.6821 -40.6821 -40.6690 -40.6690 -40.4949 -40.4949 -40.4944 -40.4944 -3.4262 -3.4262 -3.0069 -3.0069 -2.0418 -2.0418 -2.0124 -2.0124 -1.9978 -1.9978 -1.9755 -1.9755 -1.7326 -1.7326 -1.6579 -1.6579 -1.6498 -1.6498 -1.5827 -1.5827 -1.5644 -1.5644 -1.5465 -1.5465 1.6918 1.6918 2.4546 2.4546 3.9887 3.9887 4.3568 4.3568 4.9655 4.9655 4.9951 4.9951 7.2249 7.2249 7.5692 7.5692 8.4119 8.4119 8.6110 8.6110 k = 0.1628 0.0940 0.2582 ( 15236 PWs) bands (ev): -40.6819 -40.6819 -40.6690 -40.6690 -40.4950 -40.4950 -40.4945 -40.4945 -3.4002 -3.4002 -2.9897 -2.9897 -2.0423 -2.0423 -2.0120 -2.0120 -1.9958 -1.9958 -1.9704 -1.9704 -1.7305 -1.7305 -1.6572 -1.6572 -1.6479 -1.6479 -1.5847 -1.5847 -1.5614 -1.5614 -1.5452 -1.5452 1.7049 1.7049 2.4731 2.4731 3.8383 3.8383 4.2310 4.2310 4.8999 4.8999 4.9285 4.9285 7.1966 7.1966 7.5388 7.5388 8.3665 8.3665 8.7296 8.7296 k = 0.1744 0.1007 0.2582 ( 15240 PWs) bands (ev): -40.6817 -40.6817 -40.6690 -40.6690 -40.4951 -40.4951 -40.4946 -40.4946 -3.3727 -3.3727 -2.9716 -2.9716 -2.0426 -2.0426 -2.0116 -2.0116 -1.9936 -1.9936 -1.9651 -1.9651 -1.7282 -1.7282 -1.6565 -1.6565 -1.6460 -1.6460 -1.5871 -1.5871 -1.5575 -1.5575 -1.5436 -1.5436 1.7172 1.7172 2.4907 2.4907 3.6916 3.6916 4.1081 4.1081 4.8345 4.8345 4.8626 4.8626 7.1627 7.1627 7.5071 7.5071 8.3174 8.3174 8.8486 8.8486 k = 0.1860 0.1074 0.2582 ( 15246 PWs) bands (ev): -40.6814 -40.6814 -40.6691 -40.6691 -40.4952 -40.4952 -40.4947 -40.4947 -3.3437 -3.3437 -2.9529 -2.9529 -2.0428 -2.0428 -2.0113 -2.0113 -1.9911 -1.9911 -1.9595 -1.9595 -1.7256 -1.7256 -1.6558 -1.6558 -1.6440 -1.6440 -1.5896 -1.5896 -1.5533 -1.5533 -1.5414 -1.5414 1.7282 1.7282 2.5059 2.5059 3.5503 3.5503 3.9892 3.9892 4.7697 4.7697 4.7980 4.7980 7.1230 7.1230 7.4744 7.4744 8.2651 8.2651 8.9634 8.9634 k = 0.1977 0.1141 0.2582 ( 15244 PWs) bands (ev): -40.6812 -40.6812 -40.6691 -40.6691 -40.4953 -40.4953 -40.4948 -40.4948 -3.3134 -3.3134 -2.9335 -2.9335 -2.0429 -2.0429 -2.0110 -2.0110 -1.9885 -1.9885 -1.9535 -1.9535 -1.7229 -1.7229 -1.6553 -1.6553 -1.6421 -1.6421 -1.5923 -1.5923 -1.5492 -1.5492 -1.5379 -1.5379 1.7372 1.7372 2.5165 2.5165 3.4168 3.4168 3.8751 3.8751 4.7057 4.7057 4.7348 4.7348 7.0770 7.0770 7.4409 7.4409 8.2099 8.2099 8.9430 8.9430 k = 0.2093 0.1208 0.2582 ( 15250 PWs) bands (ev): -40.6809 -40.6809 -40.6691 -40.6691 -40.4954 -40.4954 -40.4949 -40.4949 -3.2819 -3.2819 -2.9136 -2.9136 -2.0429 -2.0429 -2.0107 -2.0107 -1.9855 -1.9855 -1.9472 -1.9472 -1.7199 -1.7199 -1.6548 -1.6548 -1.6402 -1.6402 -1.5948 -1.5948 -1.5459 -1.5459 -1.5325 -1.5325 1.7434 1.7434 2.5189 2.5189 3.2950 3.2950 3.7670 3.7670 4.6428 4.6428 4.6732 4.6732 7.0243 7.0243 7.4068 7.4068 8.1519 8.1519 8.8658 8.8658 k = 0.2209 0.1276 0.2582 ( 15244 PWs) bands (ev): -40.6807 -40.6807 -40.6691 -40.6691 -40.4956 -40.4956 -40.4950 -40.4950 -3.2493 -3.2493 -2.8933 -2.8933 -2.0427 -2.0427 -2.0104 -2.0104 -1.9823 -1.9823 -1.9405 -1.9405 -1.7167 -1.7167 -1.6544 -1.6544 -1.6384 -1.6384 -1.5972 -1.5972 -1.5434 -1.5434 -1.5251 -1.5251 1.7460 1.7460 2.5077 2.5077 3.1904 3.1904 3.6659 3.6659 4.5811 4.5811 4.6134 4.6134 6.9649 6.9649 7.3724 7.3724 8.0912 8.0912 8.7857 8.7857 k = 0.2326 0.1343 0.2582 ( 15242 PWs) bands (ev): -40.6804 -40.6804 -40.6691 -40.6691 -40.4957 -40.4957 -40.4951 -40.4951 -3.2158 -3.2158 -2.8727 -2.8727 -2.0425 -2.0425 -2.0102 -2.0102 -1.9789 -1.9789 -1.9334 -1.9334 -1.7133 -1.7133 -1.6542 -1.6542 -1.6368 -1.6368 -1.5993 -1.5993 -1.5413 -1.5413 -1.5161 -1.5161 1.7440 1.7440 2.4765 2.4765 3.1097 3.1097 3.5730 3.5730 4.5209 4.5209 4.5556 4.5556 6.8987 6.8987 7.3377 7.3377 8.0277 8.0277 8.7066 8.7066 k = 0.2442 0.1410 0.2582 ( 15246 PWs) bands (ev): -40.6801 -40.6801 -40.6691 -40.6691 -40.4958 -40.4958 -40.4952 -40.4952 -3.1815 -3.1815 -2.8520 -2.8520 -2.0421 -2.0421 -2.0101 -2.0101 -1.9752 -1.9752 -1.9260 -1.9260 -1.7096 -1.7096 -1.6542 -1.6542 -1.6353 -1.6353 -1.6010 -1.6010 -1.5393 -1.5393 -1.5056 -1.5056 1.7362 1.7362 2.4204 2.4204 3.0576 3.0576 3.4897 3.4897 4.4624 4.4624 4.4999 4.4999 6.8260 6.8260 7.3026 7.3026 7.9616 7.9616 8.6310 8.6310 k = 0.2558 0.1477 0.2582 ( 15254 PWs) bands (ev): -40.6798 -40.6798 -40.6692 -40.6692 -40.4959 -40.4959 -40.4953 -40.4953 -3.1467 -3.1467 -2.8313 -2.8313 -2.0417 -2.0417 -2.0099 -2.0099 -1.9712 -1.9712 -1.9181 -1.9181 -1.7058 -1.7058 -1.6542 -1.6542 -1.6341 -1.6341 -1.6020 -1.6020 -1.5373 -1.5373 -1.4938 -1.4938 1.7217 1.7217 2.3409 2.3409 3.0329 3.0329 3.4171 3.4171 4.4057 4.4057 4.4462 4.4462 6.7473 6.7473 7.2669 7.2669 7.8932 7.8932 8.5608 8.5608 k = 0.2674 0.1544 0.2582 ( 15270 PWs) bands (ev): -40.6795 -40.6795 -40.6692 -40.6692 -40.4960 -40.4960 -40.4954 -40.4954 -3.1115 -3.1115 -2.8107 -2.8107 -2.0411 -2.0411 -2.0099 -2.0099 -1.9670 -1.9670 -1.9099 -1.9099 -1.7019 -1.7019 -1.6545 -1.6545 -1.6333 -1.6333 -1.6022 -1.6022 -1.5351 -1.5351 -1.4805 -1.4805 1.6995 1.6995 2.2440 2.2440 3.0295 3.0295 3.3565 3.3565 4.3509 4.3509 4.3947 4.3947 6.6632 6.6632 7.2300 7.2300 7.8229 7.8229 8.4970 8.4970 k = 0.2791 0.1611 0.2582 ( 15280 PWs) bands (ev): -40.6792 -40.6792 -40.6693 -40.6693 -40.4961 -40.4961 -40.4956 -40.4956 -3.0761 -3.0761 -2.7904 -2.7904 -2.0405 -2.0405 -2.0099 -2.0099 -1.9625 -1.9625 -1.9012 -1.9012 -1.6978 -1.6978 -1.6549 -1.6549 -1.6329 -1.6329 -1.6013 -1.6013 -1.5326 -1.5326 -1.4660 -1.4660 1.6688 1.6688 2.1369 2.1369 3.0398 3.0398 3.3093 3.3093 4.2982 4.2982 4.3455 4.3455 6.5745 6.5745 7.1914 7.1914 7.7518 7.7518 8.4401 8.4401 k = 0.2907 0.1678 0.2582 ( 15288 PWs) bands (ev): -40.6789 -40.6789 -40.6693 -40.6693 -40.4963 -40.4963 -40.4957 -40.4957 -3.0408 -3.0408 -2.7705 -2.7705 -2.0398 -2.0398 -2.0099 -2.0099 -1.9579 -1.9579 -1.8922 -1.8922 -1.6938 -1.6938 -1.6555 -1.6555 -1.6329 -1.6329 -1.5994 -1.5994 -1.5298 -1.5298 -1.4500 -1.4500 1.6290 1.6290 2.0250 2.0250 3.0580 3.0580 3.2765 3.2765 4.2478 4.2478 4.2985 4.2985 6.4820 6.4820 7.1504 7.1504 7.6814 7.6814 8.3899 8.3899 k = 0.3023 0.1745 0.2582 ( 15270 PWs) bands (ev): -40.6786 -40.6786 -40.6694 -40.6694 -40.4964 -40.4964 -40.4958 -40.4958 -3.0058 -3.0058 -2.7512 -2.7512 -2.0391 -2.0391 -2.0101 -2.0101 -1.9531 -1.9531 -1.8828 -1.8828 -1.6898 -1.6898 -1.6561 -1.6561 -1.6331 -1.6331 -1.5963 -1.5963 -1.5264 -1.5264 -1.4328 -1.4328 1.5800 1.5800 1.9123 1.9123 3.0793 3.0793 3.2594 3.2594 4.1996 4.1996 4.2539 4.2539 6.3864 6.3864 7.1061 7.1061 7.6133 7.6133 8.3462 8.3462 k = 0.3140 0.1813 0.2582 ( 15282 PWs) bands (ev): -40.6783 -40.6783 -40.6694 -40.6694 -40.4965 -40.4965 -40.4959 -40.4959 -2.9715 -2.9715 -2.7326 -2.7326 -2.0383 -2.0383 -2.0103 -2.0103 -1.9482 -1.9482 -1.8732 -1.8732 -1.6861 -1.6861 -1.6569 -1.6569 -1.6335 -1.6335 -1.5921 -1.5921 -1.5222 -1.5222 -1.4143 -1.4143 1.5218 1.5218 1.8016 1.8016 3.1001 3.1001 3.2590 3.2590 4.1538 4.1538 4.2116 4.2116 6.2887 6.2887 7.0578 7.0578 7.5491 7.5491 8.3082 8.3082 k = 0.3256 0.1880 0.2582 ( 15266 PWs) bands (ev): -40.6780 -40.6780 -40.6695 -40.6695 -40.4966 -40.4966 -40.4960 -40.4960 -2.9379 -2.9379 -2.7147 -2.7147 -2.0374 -2.0374 -2.0105 -2.0105 -1.9433 -1.9433 -1.8634 -1.8634 -1.6829 -1.6829 -1.6576 -1.6576 -1.6339 -1.6339 -1.5870 -1.5870 -1.5170 -1.5170 -1.3947 -1.3947 1.4547 1.4547 1.6950 1.6950 3.1188 3.1188 3.2743 3.2743 4.1104 4.1104 4.1718 4.1718 6.1896 6.1896 7.0051 7.0051 7.4904 7.4904 8.2754 8.2754 k = 0.3372 0.1947 0.2582 ( 15278 PWs) bands (ev): -40.6777 -40.6777 -40.6695 -40.6695 -40.4967 -40.4967 -40.4961 -40.4961 -2.9055 -2.9055 -2.6977 -2.6977 -2.0365 -2.0365 -2.0108 -2.0108 -1.9384 -1.9384 -1.8536 -1.8536 -1.6804 -1.6804 -1.6583 -1.6583 -1.6342 -1.6342 -1.5813 -1.5813 -1.5102 -1.5102 -1.3740 -1.3740 1.3794 1.3794 1.5943 1.5943 3.1366 3.1366 3.3022 3.3022 4.0696 4.0696 4.1344 4.1344 6.0898 6.0898 6.9478 6.9478 7.4382 7.4382 8.2470 8.2470 k = 0.3488 0.2014 0.2582 ( 15290 PWs) bands (ev): -40.6774 -40.6774 -40.6696 -40.6696 -40.4968 -40.4968 -40.4962 -40.4962 -2.8744 -2.8744 -2.6818 -2.6818 -2.0355 -2.0355 -2.0112 -2.0112 -1.9336 -1.9336 -1.8438 -1.8438 -1.6786 -1.6786 -1.6587 -1.6587 -1.6342 -1.6342 -1.5751 -1.5751 -1.5013 -1.5013 -1.3526 -1.3526 1.2971 1.2971 1.5002 1.5002 3.1554 3.1554 3.3387 3.3387 4.0314 4.0314 4.0994 4.0994 5.9901 5.9901 6.8866 6.8866 7.3927 7.3927 8.2224 8.2224 k = 0.3605 0.2081 0.2582 ( 15282 PWs) bands (ev): -40.6772 -40.6772 -40.6697 -40.6697 -40.4969 -40.4969 -40.4963 -40.4963 -2.8450 -2.8450 -2.6669 -2.6669 -2.0345 -2.0345 -2.0117 -2.0117 -1.9289 -1.9289 -1.8344 -1.8344 -1.6776 -1.6776 -1.6590 -1.6590 -1.6341 -1.6341 -1.5691 -1.5691 -1.4897 -1.4897 -1.3306 -1.3306 1.2101 1.2101 1.4127 1.4127 3.1764 3.1764 3.3807 3.3807 3.9958 3.9958 4.0670 4.0670 5.8912 5.8912 6.8228 6.8228 7.3535 7.3535 8.2013 8.2013 k = 0.3721 0.2148 0.2582 ( 15294 PWs) bands (ev): -40.6769 -40.6769 -40.6698 -40.6698 -40.4970 -40.4970 -40.4963 -40.4963 -2.8173 -2.8173 -2.6531 -2.6531 -2.0335 -2.0335 -2.0122 -2.0122 -1.9245 -1.9245 -1.8254 -1.8254 -1.6774 -1.6774 -1.6591 -1.6591 -1.6338 -1.6338 -1.5636 -1.5636 -1.4748 -1.4748 -1.3085 -1.3085 1.1209 1.1209 1.3311 1.3311 3.1997 3.1997 3.4261 3.4261 3.9629 3.9629 4.0371 4.0371 5.7938 5.7938 6.7576 6.7576 7.3202 7.3202 8.1830 8.1830 k = 0.3837 0.2215 0.2582 ( 15288 PWs) bands (ev): -40.6766 -40.6766 -40.6698 -40.6698 -40.4970 -40.4970 -40.4964 -40.4964 -2.7917 -2.7917 -2.6405 -2.6405 -2.0324 -2.0324 -2.0128 -2.0128 -1.9203 -1.9203 -1.8169 -1.8169 -1.6777 -1.6777 -1.6592 -1.6592 -1.6334 -1.6334 -1.5589 -1.5589 -1.4566 -1.4566 -1.2866 -1.2866 1.0323 1.0323 1.2547 1.2547 3.2251 3.2251 3.4735 3.4735 3.9327 3.9327 4.0097 4.0097 5.6988 5.6988 6.6927 6.6927 7.2919 7.2919 8.1672 8.1672 k = 0.3953 0.2283 0.2582 ( 15288 PWs) bands (ev): -40.6764 -40.6764 -40.6699 -40.6699 -40.4971 -40.4971 -40.4965 -40.4965 -2.7682 -2.7682 -2.6291 -2.6291 -2.0313 -2.0313 -2.0134 -2.0134 -1.9163 -1.9163 -1.8092 -1.8092 -1.6784 -1.6784 -1.6593 -1.6593 -1.6329 -1.6329 -1.5549 -1.5549 -1.4352 -1.4352 -1.2654 -1.2654 0.9463 0.9463 1.1832 1.1832 3.2517 3.2517 3.5221 3.5221 3.9053 3.9053 3.9849 3.9849 5.6067 5.6067 6.6294 6.6294 7.2679 7.2679 8.1537 8.1537 k = 0.4070 0.2350 0.2582 ( 15286 PWs) bands (ev): -40.6761 -40.6761 -40.6700 -40.6700 -40.4972 -40.4972 -40.4965 -40.4965 -2.7470 -2.7470 -2.6189 -2.6189 -2.0303 -2.0303 -2.0141 -2.0141 -1.9128 -1.9128 -1.8022 -1.8022 -1.6793 -1.6793 -1.6595 -1.6595 -1.6323 -1.6323 -1.5517 -1.5517 -1.4111 -1.4111 -1.2456 -1.2456 0.8647 0.8647 1.1167 1.1167 3.2787 3.2787 3.5707 3.5707 3.8806 3.8806 3.9627 3.9627 5.5186 5.5186 6.5692 6.5692 7.2476 7.2476 8.1422 8.1422 k = 0.4186 0.2417 0.2582 ( 15270 PWs) bands (ev): -40.6759 -40.6759 -40.6701 -40.6701 -40.4972 -40.4972 -40.4966 -40.4966 -2.7282 -2.7282 -2.6100 -2.6100 -2.0292 -2.0292 -2.0149 -2.0149 -1.9095 -1.9095 -1.7960 -1.7960 -1.6802 -1.6802 -1.6597 -1.6597 -1.6317 -1.6317 -1.5491 -1.5491 -1.3848 -1.3848 -1.2277 -1.2277 0.7890 0.7890 1.0556 1.0556 3.3052 3.3052 3.6186 3.6186 3.8588 3.8588 3.9431 3.9431 5.4355 5.4355 6.5131 6.5131 7.2306 7.2306 8.1324 8.1324 k = 0.4302 0.2484 0.2582 ( 15280 PWs) bands (ev): -40.6757 -40.6757 -40.6702 -40.6702 -40.4973 -40.4973 -40.4966 -40.4966 -2.7118 -2.7118 -2.6023 -2.6023 -2.0280 -2.0280 -2.0157 -2.0157 -1.9067 -1.9067 -1.7907 -1.7907 -1.6811 -1.6811 -1.6600 -1.6600 -1.6312 -1.6312 -1.5470 -1.5470 -1.3571 -1.3571 -1.2125 -1.2125 0.7204 0.7204 1.0004 1.0004 3.3303 3.3303 3.6647 3.6647 3.8399 3.8399 3.9261 3.9261 5.3584 5.3584 6.4623 6.4623 7.2163 7.2163 8.1242 8.1242 k = 0.4419 0.2551 0.2582 ( 15268 PWs) bands (ev): -40.6755 -40.6755 -40.6702 -40.6702 -40.4973 -40.4973 -40.4967 -40.4967 -2.6979 -2.6979 -2.5958 -2.5958 -2.0269 -2.0269 -2.0166 -2.0166 -1.9043 -1.9043 -1.7863 -1.7863 -1.6819 -1.6819 -1.6604 -1.6604 -1.6308 -1.6308 -1.5454 -1.5454 -1.3289 -1.3289 -1.2007 -1.2007 0.6600 0.6600 0.9520 0.9520 3.3533 3.3533 3.7078 3.7078 3.8238 3.8238 3.9117 3.9117 5.2887 5.2887 6.4177 6.4177 7.2047 7.2047 8.1175 8.1175 k = 0.4535 0.2618 0.2582 ( 15280 PWs) bands (ev): -40.6754 -40.6754 -40.6703 -40.6703 -40.4974 -40.4974 -40.4967 -40.4967 -2.6865 -2.6865 -2.5906 -2.5906 -2.0258 -2.0258 -2.0175 -2.0175 -1.9023 -1.9023 -1.7826 -1.7826 -1.6825 -1.6825 -1.6607 -1.6607 -1.6304 -1.6304 -1.5440 -1.5440 -1.3011 -1.3011 -1.1928 -1.1928 0.6089 0.6089 0.9110 0.9110 3.3732 3.3732 3.7465 3.7465 3.8107 3.8107 3.9001 3.9001 5.2281 5.2281 6.3799 6.3799 7.1953 7.1953 8.1121 8.1121 k = 0.4651 0.2685 0.2582 ( 15276 PWs) bands (ev): -40.6753 -40.6753 -40.6704 -40.6704 -40.4974 -40.4974 -40.4967 -40.4967 -2.6776 -2.6776 -2.5866 -2.5866 -2.0247 -2.0247 -2.0184 -2.0184 -1.9007 -1.9007 -1.7798 -1.7798 -1.6831 -1.6831 -1.6610 -1.6610 -1.6301 -1.6301 -1.5431 -1.5431 -1.2747 -1.2747 -1.1895 -1.1895 0.5681 0.5681 0.8782 0.8782 3.3895 3.3895 3.7790 3.7790 3.8005 3.8005 3.8911 3.8911 5.1781 5.1781 6.3499 6.3499 7.1882 7.1882 8.1080 8.1080 k = 0.4767 0.2752 0.2582 ( 15268 PWs) bands (ev): -40.6752 -40.6752 -40.6704 -40.6704 -40.4974 -40.4974 -40.4968 -40.4968 -2.6713 -2.6713 -2.5837 -2.5837 -2.0236 -2.0236 -2.0194 -2.0194 -1.8996 -1.8996 -1.7778 -1.7778 -1.6835 -1.6835 -1.6612 -1.6612 -1.6299 -1.6299 -1.5424 -1.5424 -1.2509 -1.2509 -1.1909 -1.1909 0.5382 0.5382 0.8542 0.8542 3.4016 3.4016 3.7930 3.7930 3.8039 3.8039 3.8849 3.8849 5.1407 5.1407 6.3280 6.3280 7.1832 7.1832 8.1052 8.1052 k = 0.4884 0.2820 0.2582 ( 15268 PWs) bands (ev): -40.6751 -40.6751 -40.6704 -40.6704 -40.4974 -40.4974 -40.4968 -40.4968 -2.6675 -2.6675 -2.5820 -2.5820 -2.0225 -2.0225 -2.0204 -2.0204 -1.8989 -1.8989 -1.7767 -1.7767 -1.6837 -1.6837 -1.6613 -1.6613 -1.6297 -1.6297 -1.5420 -1.5420 -1.2312 -1.2312 -1.1968 -1.1968 0.5201 0.5201 0.8396 0.8396 3.4090 3.4090 3.7886 3.7886 3.8192 3.8192 3.8813 3.8813 5.1175 5.1175 6.3147 6.3147 7.1802 7.1802 8.1035 8.1035 k = 0.5000 0.2887 0.2582 ( 15280 PWs) bands (ev): -40.6751 -40.6751 -40.6704 -40.6704 -40.4975 -40.4975 -40.4968 -40.4968 -2.6662 -2.6662 -2.5814 -2.5814 -2.0216 -2.0216 -2.0213 -2.0213 -1.8987 -1.8987 -1.7763 -1.7763 -1.6838 -1.6838 -1.6614 -1.6614 -1.6297 -1.6297 -1.5418 -1.5418 -1.2208 -1.2208 -1.2025 -1.2025 0.5140 0.5140 0.8347 0.8347 3.4115 3.4115 3.7872 3.7872 3.8244 3.8244 3.8802 3.8802 5.1096 5.1096 6.3102 6.3102 7.1793 7.1793 8.1029 8.1029 k = 0.5000 0.2887 0.2582 ( 15280 PWs) bands (ev): -40.6751 -40.6751 -40.6704 -40.6704 -40.4975 -40.4975 -40.4968 -40.4968 -2.6662 -2.6662 -2.5814 -2.5814 -2.0216 -2.0216 -2.0213 -2.0213 -1.8987 -1.8987 -1.7763 -1.7763 -1.6838 -1.6838 -1.6614 -1.6614 -1.6297 -1.6297 -1.5418 -1.5418 -1.2208 -1.2208 -1.2025 -1.2025 0.5140 0.5140 0.8347 0.8347 3.4115 3.4115 3.7872 3.7872 3.8244 3.8244 3.8802 3.8802 5.1096 5.1096 6.3102 6.3102 7.1793 7.1793 8.1029 8.1029 k = 0.4933 0.3002 0.2582 ( 15288 PWs) bands (ev): -40.6751 -40.6751 -40.6704 -40.6704 -40.4975 -40.4975 -40.4968 -40.4968 -2.6658 -2.6658 -2.5812 -2.5812 -2.0229 -2.0229 -2.0199 -2.0199 -1.8987 -1.8987 -1.7764 -1.7764 -1.6837 -1.6837 -1.6613 -1.6613 -1.6297 -1.6297 -1.5419 -1.5419 -1.2208 -1.2208 -1.2014 -1.2014 0.5143 0.5143 0.8344 0.8344 3.4120 3.4120 3.7688 3.7688 3.8360 3.8360 3.8739 3.8739 5.1154 5.1154 6.3105 6.3105 7.1877 7.1877 8.1095 8.1095 k = 0.4867 0.3118 0.2582 ( 15276 PWs) bands (ev): -40.6751 -40.6751 -40.6705 -40.6705 -40.4975 -40.4975 -40.4968 -40.4968 -2.6647 -2.6647 -2.5806 -2.5806 -2.0243 -2.0243 -2.0182 -2.0182 -1.8987 -1.8987 -1.7770 -1.7770 -1.6836 -1.6836 -1.6610 -1.6610 -1.6298 -1.6298 -1.5419 -1.5419 -1.2207 -1.2207 -1.1983 -1.1983 0.5153 0.5153 0.8336 0.8336 3.4134 3.4134 3.7326 3.7326 3.8457 3.8457 3.8617 3.8617 5.1322 5.1322 6.3115 6.3115 7.2128 7.2128 8.1293 8.1293 k = 0.4800 0.3233 0.2582 ( 15284 PWs) bands (ev): -40.6751 -40.6751 -40.6705 -40.6705 -40.4975 -40.4975 -40.4968 -40.4968 -2.6627 -2.6627 -2.5797 -2.5797 -2.0255 -2.0255 -2.0164 -2.0164 -1.8987 -1.8987 -1.7778 -1.7778 -1.6833 -1.6833 -1.6606 -1.6606 -1.6299 -1.6299 -1.5420 -1.5420 -1.2201 -1.2201 -1.1935 -1.1935 0.5169 0.5169 0.8323 0.8323 3.4154 3.4154 3.6871 3.6871 3.8196 3.8196 3.8716 3.8716 5.1589 5.1589 6.3130 6.3130 7.2534 7.2534 8.1620 8.1620 k = 0.4733 0.3349 0.2582 ( 15286 PWs) bands (ev): -40.6750 -40.6750 -40.6705 -40.6705 -40.4975 -40.4975 -40.4968 -40.4968 -2.6601 -2.6601 -2.5784 -2.5784 -2.0267 -2.0267 -2.0144 -2.0144 -1.8987 -1.8987 -1.7789 -1.7789 -1.6830 -1.6830 -1.6601 -1.6601 -1.6300 -1.6300 -1.5422 -1.5422 -1.2190 -1.2190 -1.1873 -1.1873 0.5191 0.5191 0.8304 0.8304 3.4173 3.4173 3.6334 3.6334 3.7802 3.7802 3.8839 3.8839 5.1937 5.1937 6.3151 6.3151 7.3078 7.3078 8.2071 8.2071 k = 0.4667 0.3464 0.2582 ( 15274 PWs) bands (ev): -40.6750 -40.6750 -40.6705 -40.6705 -40.4975 -40.4975 -40.4968 -40.4968 -2.6567 -2.6567 -2.5767 -2.5767 -2.0278 -2.0278 -2.0123 -2.0123 -1.8988 -1.8988 -1.7803 -1.7803 -1.6825 -1.6825 -1.6594 -1.6594 -1.6301 -1.6301 -1.5424 -1.5424 -1.2170 -1.2170 -1.1798 -1.1798 0.5217 0.5217 0.8279 0.8279 3.4177 3.4177 3.5725 3.5725 3.7353 3.7353 3.8948 3.8948 5.2347 5.2347 6.3175 6.3175 7.3739 7.3739 8.2638 8.2638 k = 0.4600 0.3580 0.2582 ( 15288 PWs) bands (ev): -40.6749 -40.6749 -40.6705 -40.6705 -40.4975 -40.4975 -40.4968 -40.4968 -2.6527 -2.6527 -2.5748 -2.5748 -2.0288 -2.0288 -2.0101 -2.0101 -1.8989 -1.8989 -1.7819 -1.7819 -1.6819 -1.6819 -1.6587 -1.6587 -1.6302 -1.6302 -1.5427 -1.5427 -1.2142 -1.2142 -1.1710 -1.1710 0.5249 0.5249 0.8247 0.8247 3.4143 3.4143 3.5053 3.5053 3.6897 3.6897 3.9047 3.9047 5.2804 5.2804 6.3202 6.3202 7.4485 7.4485 8.3298 8.3298 k = 0.4533 0.3695 0.2582 ( 15294 PWs) bands (ev): -40.6749 -40.6749 -40.6706 -40.6706 -40.4975 -40.4975 -40.4968 -40.4968 -2.6481 -2.6481 -2.5725 -2.5725 -2.0297 -2.0297 -2.0077 -2.0077 -1.8990 -1.8990 -1.7836 -1.7836 -1.6811 -1.6811 -1.6579 -1.6579 -1.6303 -1.6303 -1.5431 -1.5431 -1.2105 -1.2105 -1.1612 -1.1612 0.5284 0.5284 0.8206 0.8206 3.4024 3.4024 3.4335 3.4335 3.6493 3.6493 3.9138 3.9138 5.3294 5.3294 6.3231 6.3231 7.5283 7.5283 8.3961 8.3961 k = 0.4467 0.3811 0.2582 ( 15298 PWs) bands (ev): -40.6748 -40.6748 -40.6706 -40.6706 -40.4976 -40.4976 -40.4969 -40.4969 -2.6429 -2.6429 -2.5700 -2.5700 -2.0306 -2.0306 -2.0052 -2.0052 -1.8992 -1.8992 -1.7854 -1.7854 -1.6802 -1.6802 -1.6572 -1.6572 -1.6302 -1.6302 -1.5436 -1.5436 -1.2059 -1.2059 -1.1504 -1.1504 0.5321 0.5321 0.8157 0.8157 3.3554 3.3554 3.3803 3.3803 3.6208 3.6208 3.9225 3.9225 5.3807 5.3807 6.3261 6.3261 7.6086 7.6086 8.3990 8.3990 k = 0.4400 0.3926 0.2582 ( 15304 PWs) bands (ev): -40.6747 -40.6747 -40.6707 -40.6707 -40.4976 -40.4976 -40.4969 -40.4969 -2.6373 -2.6373 -2.5673 -2.5673 -2.0314 -2.0314 -2.0026 -2.0026 -1.8995 -1.8995 -1.7873 -1.7873 -1.6792 -1.6792 -1.6565 -1.6565 -1.6300 -1.6300 -1.5442 -1.5442 -1.2003 -1.2003 -1.1386 -1.1386 0.5360 0.5360 0.8098 0.8098 3.2773 3.2773 3.3408 3.3408 3.6074 3.6074 3.9310 3.9310 5.4335 5.4335 6.3292 6.3292 7.6843 7.6843 8.2848 8.2848 k = 0.4333 0.4041 0.2582 ( 15304 PWs) bands (ev): -40.6746 -40.6746 -40.6707 -40.6707 -40.4976 -40.4976 -40.4969 -40.4969 -2.6313 -2.6313 -2.5644 -2.5644 -2.0321 -2.0321 -1.9998 -1.9998 -1.8999 -1.8999 -1.7892 -1.7892 -1.6782 -1.6782 -1.6558 -1.6558 -1.6298 -1.6298 -1.5449 -1.5449 -1.1938 -1.1938 -1.1261 -1.1261 0.5399 0.5399 0.8027 0.8027 3.1975 3.1975 3.2903 3.2903 3.6072 3.6072 3.9391 3.9391 5.4874 5.4874 6.3321 6.3321 7.7494 7.7494 8.1456 8.1456 k = 0.4267 0.4157 0.2582 ( 15308 PWs) bands (ev): -40.6745 -40.6745 -40.6708 -40.6708 -40.4976 -40.4976 -40.4969 -40.4969 -2.6250 -2.6250 -2.5614 -2.5614 -2.0328 -2.0328 -1.9970 -1.9970 -1.9004 -1.9004 -1.7909 -1.7909 -1.6770 -1.6770 -1.6552 -1.6552 -1.6293 -1.6293 -1.5457 -1.5457 -1.1864 -1.1864 -1.1129 -1.1129 0.5437 0.5437 0.7945 0.7945 3.1175 3.1175 3.2334 3.2334 3.6160 3.6160 3.9471 3.9471 5.5421 5.5421 6.3349 6.3349 7.7982 7.7982 8.0042 8.0042 k = 0.4200 0.4272 0.2582 ( 15320 PWs) bands (ev): -40.6744 -40.6744 -40.6708 -40.6708 -40.4977 -40.4977 -40.4970 -40.4970 -2.6185 -2.6185 -2.5583 -2.5583 -2.0335 -2.0335 -1.9940 -1.9940 -1.9010 -1.9010 -1.7926 -1.7926 -1.6758 -1.6758 -1.6546 -1.6546 -1.6288 -1.6288 -1.5466 -1.5466 -1.1780 -1.1780 -1.0992 -1.0992 0.5473 0.5473 0.7849 0.7849 3.0386 3.0386 3.1739 3.1739 3.6307 3.6307 3.9548 3.9548 5.5973 5.5973 6.3373 6.3373 7.8255 7.8255 7.8651 7.8651 k = 0.4133 0.4388 0.2582 ( 15306 PWs) bands (ev): -40.6742 -40.6742 -40.6709 -40.6709 -40.4977 -40.4977 -40.4970 -40.4970 -2.6118 -2.6118 -2.5552 -2.5552 -2.0341 -2.0341 -1.9910 -1.9910 -1.9017 -1.9017 -1.7941 -1.7941 -1.6745 -1.6745 -1.6542 -1.6542 -1.6281 -1.6281 -1.5475 -1.5475 -1.1686 -1.1686 -1.0852 -1.0852 0.5504 0.5504 0.7739 0.7739 2.9618 2.9618 3.1145 3.1145 3.6495 3.6495 3.9620 3.9620 5.6532 5.6532 6.3394 6.3394 7.7253 7.7253 7.8350 7.8350 k = 0.4067 0.4503 0.2582 ( 15302 PWs) bands (ev): -40.6741 -40.6741 -40.6710 -40.6710 -40.4977 -40.4977 -40.4970 -40.4970 -2.6051 -2.6051 -2.5520 -2.5520 -2.0346 -2.0346 -1.9880 -1.9880 -1.9025 -1.9025 -1.7954 -1.7954 -1.6732 -1.6732 -1.6539 -1.6539 -1.6272 -1.6272 -1.5485 -1.5485 -1.1583 -1.1583 -1.0711 -1.0711 0.5531 0.5531 0.7615 0.7615 2.8880 2.8880 3.0568 3.0568 3.6711 3.6711 3.9687 3.9687 5.7096 5.7096 6.3408 6.3408 7.5907 7.5907 7.8239 7.8239 k = 0.4000 0.4619 0.2582 ( 15294 PWs) bands (ev): -40.6740 -40.6740 -40.6710 -40.6710 -40.4977 -40.4977 -40.4970 -40.4970 -2.5985 -2.5985 -2.5490 -2.5490 -2.0352 -2.0352 -1.9850 -1.9850 -1.9034 -1.9034 -1.7965 -1.7965 -1.6720 -1.6720 -1.6538 -1.6538 -1.6263 -1.6263 -1.5494 -1.5494 -1.1471 -1.1471 -1.0571 -1.0571 0.5552 0.5552 0.7476 0.7476 2.8183 2.8183 3.0021 3.0021 3.6948 3.6948 3.9746 3.9746 5.7666 5.7666 6.3416 6.3416 7.4593 7.4593 7.7995 7.7995 k = 0.3933 0.4734 0.2582 ( 15298 PWs) bands (ev): -40.6738 -40.6738 -40.6711 -40.6711 -40.4978 -40.4978 -40.4970 -40.4970 -2.5920 -2.5920 -2.5460 -2.5460 -2.0356 -2.0356 -1.9821 -1.9821 -1.9044 -1.9044 -1.7973 -1.7973 -1.6707 -1.6707 -1.6537 -1.6537 -1.6253 -1.6253 -1.5504 -1.5504 -1.1351 -1.1351 -1.0434 -1.0434 0.5567 0.5567 0.7323 0.7323 2.7533 2.7533 2.9511 2.9511 3.7200 3.7200 3.9797 3.9797 5.8243 5.8243 6.3416 6.3416 7.3318 7.3318 7.7665 7.7665 k = 0.3867 0.4850 0.2582 ( 15306 PWs) bands (ev): -40.6737 -40.6737 -40.6712 -40.6712 -40.4978 -40.4978 -40.4971 -40.4971 -2.5858 -2.5858 -2.5433 -2.5433 -2.0360 -2.0360 -1.9792 -1.9792 -1.9055 -1.9055 -1.7980 -1.7980 -1.6695 -1.6695 -1.6537 -1.6537 -1.6242 -1.6242 -1.5513 -1.5513 -1.1224 -1.1224 -1.0305 -1.0305 0.5577 0.5577 0.7157 0.7157 2.6938 2.6938 2.9047 2.9047 3.7463 3.7463 3.9835 3.9835 5.8827 5.8827 6.3408 6.3408 7.2083 7.2083 7.7294 7.7294 k = 0.3800 0.4965 0.2582 ( 15298 PWs) bands (ev): -40.6735 -40.6735 -40.6713 -40.6713 -40.4978 -40.4978 -40.4971 -40.4971 -2.5799 -2.5799 -2.5407 -2.5407 -2.0364 -2.0364 -1.9766 -1.9766 -1.9065 -1.9065 -1.7985 -1.7985 -1.6684 -1.6684 -1.6539 -1.6539 -1.6232 -1.6232 -1.5521 -1.5521 -1.1092 -1.1092 -1.0186 -1.0186 0.5582 0.5582 0.6979 0.6979 2.6404 2.6404 2.8631 2.8631 3.7733 3.7733 3.9859 3.9859 5.9420 5.9420 6.3391 6.3391 7.0895 7.0895 7.6916 7.6916 k = 0.3733 0.5081 0.2582 ( 15300 PWs) bands (ev): -40.6733 -40.6733 -40.6715 -40.6715 -40.4978 -40.4978 -40.4971 -40.4971 -2.5744 -2.5744 -2.5385 -2.5385 -2.0367 -2.0367 -1.9741 -1.9741 -1.9076 -1.9076 -1.7988 -1.7988 -1.6674 -1.6674 -1.6542 -1.6542 -1.6222 -1.6222 -1.5528 -1.5528 -1.0956 -1.0956 -1.0080 -1.0080 0.5584 0.5584 0.6794 0.6794 2.5936 2.5936 2.8268 2.8268 3.8005 3.8005 3.9866 3.9866 6.0021 6.0021 6.3367 6.3367 6.9756 6.9756 7.6555 7.6555 k = 0.3667 0.5196 0.2582 ( 15294 PWs) bands (ev): -40.6732 -40.6732 -40.6716 -40.6716 -40.4978 -40.4978 -40.4971 -40.4971 -2.5696 -2.5696 -2.5365 -2.5365 -2.0370 -2.0370 -1.9719 -1.9719 -1.9085 -1.9085 -1.7989 -1.7989 -1.6664 -1.6664 -1.6545 -1.6545 -1.6212 -1.6212 -1.5534 -1.5534 -1.0820 -1.0820 -0.9990 -0.9990 0.5587 0.5587 0.6603 0.6603 2.5538 2.5538 2.7961 2.7961 3.8274 3.8274 3.9854 3.9854 6.0631 6.0631 6.3336 6.3336 6.8674 6.8674 7.6230 7.6230 k = 0.3600 0.5312 0.2582 ( 15280 PWs) bands (ev): -40.6730 -40.6730 -40.6717 -40.6717 -40.4979 -40.4979 -40.4971 -40.4971 -2.5653 -2.5653 -2.5348 -2.5348 -2.0372 -2.0372 -1.9700 -1.9700 -1.9094 -1.9094 -1.7990 -1.7990 -1.6655 -1.6655 -1.6549 -1.6549 -1.6204 -1.6204 -1.5539 -1.5539 -1.0687 -1.0687 -0.9921 -0.9921 0.5595 0.5595 0.6414 0.6414 2.5212 2.5212 2.7711 2.7711 3.8537 3.8537 3.9820 3.9820 6.1246 6.1246 6.3303 6.3303 6.7656 6.7656 7.5955 7.5955 k = 0.3533 0.5427 0.2582 ( 15272 PWs) bands (ev): -40.6728 -40.6728 -40.6718 -40.6718 -40.4979 -40.4979 -40.4971 -40.4971 -2.5618 -2.5618 -2.5335 -2.5335 -2.0374 -2.0374 -1.9685 -1.9685 -1.9100 -1.9100 -1.7989 -1.7989 -1.6647 -1.6647 -1.6553 -1.6553 -1.6197 -1.6197 -1.5543 -1.5543 -1.0564 -1.0564 -0.9874 -0.9874 0.5612 0.5612 0.6232 0.6232 2.4960 2.4960 2.7517 2.7517 3.8787 3.8787 3.9760 3.9760 6.1862 6.1862 6.3270 6.3270 6.6713 6.6713 7.5736 7.5736 k = 0.3467 0.5543 0.2582 ( 15276 PWs) bands (ev): -40.6727 -40.6727 -40.6720 -40.6720 -40.4979 -40.4979 -40.4971 -40.4971 -2.5591 -2.5591 -2.5326 -2.5326 -2.0375 -2.0375 -1.9674 -1.9674 -1.9105 -1.9105 -1.7988 -1.7988 -1.6641 -1.6641 -1.6557 -1.6557 -1.6192 -1.6192 -1.5545 -1.5545 -1.0459 -1.0459 -0.9848 -0.9848 0.5644 0.5644 0.6064 0.6064 2.4782 2.4782 2.7381 2.7381 3.9020 3.9020 3.9675 3.9675 6.2460 6.2460 6.3242 6.3242 6.5870 6.5870 7.5578 7.5578 k = 0.3400 0.5658 0.2582 ( 15296 PWs) bands (ev): -40.6725 -40.6725 -40.6722 -40.6722 -40.4979 -40.4979 -40.4971 -40.4971 -2.5575 -2.5575 -2.5321 -2.5321 -2.0376 -2.0376 -1.9668 -1.9668 -1.9108 -1.9108 -1.7988 -1.7988 -1.6637 -1.6637 -1.6560 -1.6560 -1.6189 -1.6189 -1.5547 -1.5547 -1.0383 -1.0383 -0.9840 -0.9840 0.5695 0.5695 0.5920 0.5920 2.4677 2.4677 2.7300 2.7300 3.9227 3.9227 3.9561 3.9561 6.2981 6.2981 6.3227 6.3227 6.5191 6.5191 7.5484 7.5484 k = 0.3333 0.5774 0.2582 ( 15306 PWs) bands (ev): -40.6723 -40.6723 -40.6723 -40.6723 -40.4979 -40.4979 -40.4971 -40.4971 -2.5569 -2.5569 -2.5319 -2.5319 -2.0376 -2.0376 -1.9666 -1.9666 -1.9109 -1.9109 -1.7987 -1.7987 -1.6636 -1.6636 -1.6561 -1.6561 -1.6188 -1.6188 -1.5547 -1.5547 -1.0353 -1.0353 -0.9839 -0.9839 0.5743 0.5743 0.5839 0.5839 2.4642 2.4642 2.7273 2.7273 3.9372 3.9372 3.9449 3.9449 6.3202 6.3202 6.3248 6.3248 6.4889 6.4889 7.5453 7.5453 k = 0.3333 0.5774 0.2582 ( 15306 PWs) bands (ev): -40.6723 -40.6723 -40.6723 -40.6723 -40.4979 -40.4979 -40.4971 -40.4971 -2.5569 -2.5569 -2.5319 -2.5319 -2.0376 -2.0376 -1.9666 -1.9666 -1.9109 -1.9109 -1.7987 -1.7987 -1.6636 -1.6636 -1.6561 -1.6561 -1.6188 -1.6188 -1.5547 -1.5547 -1.0353 -1.0353 -0.9839 -0.9839 0.5743 0.5743 0.5839 0.5839 2.4642 2.4642 2.7273 2.7273 3.9372 3.9372 3.9449 3.9449 6.3202 6.3202 6.3248 6.3248 6.4889 6.4889 7.5453 7.5453 k = 0.3267 0.5658 0.2582 ( 15286 PWs) bands (ev): -40.6725 -40.6725 -40.6722 -40.6722 -40.4979 -40.4979 -40.4971 -40.4971 -2.5575 -2.5575 -2.5321 -2.5321 -2.0376 -2.0376 -1.9668 -1.9668 -1.9108 -1.9108 -1.7988 -1.7988 -1.6637 -1.6637 -1.6560 -1.6560 -1.6189 -1.6189 -1.5547 -1.5547 -1.0386 -1.0386 -0.9838 -0.9838 0.5699 0.5699 0.5921 0.5921 2.4676 2.4676 2.7299 2.7299 3.9228 3.9228 3.9557 3.9557 6.2985 6.2985 6.3251 6.3251 6.5167 6.5167 7.5483 7.5483 k = 0.3200 0.5543 0.2582 ( 15266 PWs) bands (ev): -40.6727 -40.6727 -40.6720 -40.6720 -40.4979 -40.4979 -40.4971 -40.4971 -2.5594 -2.5594 -2.5327 -2.5327 -2.0375 -2.0375 -1.9674 -1.9674 -1.9106 -1.9106 -1.7990 -1.7990 -1.6641 -1.6641 -1.6557 -1.6557 -1.6192 -1.6192 -1.5546 -1.5546 -1.0486 -1.0486 -0.9836 -0.9836 0.5671 0.5671 0.6074 0.6074 2.4774 2.4774 2.7375 2.7375 3.9022 3.9022 3.9654 3.9654 6.2553 6.2553 6.3301 6.3301 6.5751 6.5751 7.5573 7.5573 k = 0.3133 0.5427 0.2582 ( 15280 PWs) bands (ev): -40.6729 -40.6729 -40.6718 -40.6718 -40.4979 -40.4979 -40.4971 -40.4971 -2.5626 -2.5626 -2.5338 -2.5338 -2.0374 -2.0374 -1.9683 -1.9683 -1.9104 -1.9104 -1.7993 -1.7993 -1.6647 -1.6647 -1.6552 -1.6552 -1.6197 -1.6197 -1.5544 -1.5544 -1.0643 -1.0643 -0.9847 -0.9847 0.5695 0.5695 0.6273 0.6273 2.4933 2.4933 2.7499 2.7499 3.8783 3.8783 3.9704 3.9704 6.2131 6.2131 6.3386 6.3386 6.6439 6.6439 7.5717 7.5717 k = 0.3067 0.5312 0.2582 ( 15272 PWs) bands (ev): -40.6731 -40.6731 -40.6716 -40.6716 -40.4978 -40.4978 -40.4971 -40.4971 -2.5672 -2.5672 -2.5354 -2.5354 -2.0373 -2.0373 -1.9695 -1.9695 -1.9102 -1.9102 -1.7998 -1.7998 -1.6654 -1.6654 -1.6545 -1.6545 -1.6205 -1.6205 -1.5543 -1.5543 -1.0848 -1.0848 -0.9881 -0.9881 0.5779 0.5779 0.6517 0.6517 2.5149 2.5149 2.7668 2.7668 3.8515 3.8515 3.9701 3.9701 6.1780 6.1780 6.3509 6.3509 6.7175 6.7175 7.5915 7.5915 k = 0.3000 0.5196 0.2582 ( 15292 PWs) bands (ev): -40.6733 -40.6733 -40.6715 -40.6715 -40.4978 -40.4978 -40.4971 -40.4971 -2.5732 -2.5732 -2.5377 -2.5377 -2.0371 -2.0371 -1.9710 -1.9710 -1.9100 -1.9100 -1.8006 -1.8006 -1.6661 -1.6661 -1.6538 -1.6538 -1.6214 -1.6214 -1.5542 -1.5542 -1.1092 -1.1092 -0.9945 -0.9945 0.5930 0.5930 0.6809 0.6809 2.5419 2.5419 2.7880 2.7880 3.8221 3.8221 3.9640 3.9640 6.1519 6.1519 6.3672 6.3672 6.7945 6.7945 7.6161 7.6161 k = 0.2933 0.5081 0.2582 ( 15272 PWs) bands (ev): -40.6735 -40.6735 -40.6713 -40.6713 -40.4978 -40.4978 -40.4971 -40.4971 -2.5807 -2.5807 -2.5407 -2.5407 -2.0369 -2.0369 -1.9727 -1.9727 -1.9100 -1.9100 -1.8016 -1.8016 -1.6669 -1.6669 -1.6530 -1.6530 -1.6225 -1.6225 -1.5541 -1.5541 -1.1368 -1.1368 -1.0043 -1.0043 0.6152 0.6152 0.7146 0.7146 2.5738 2.5738 2.8133 2.8133 3.7903 3.7903 3.9521 3.9521 6.1357 6.1357 6.3877 6.3877 6.8740 6.8740 7.6453 7.6453 k = 0.2867 0.4965 0.2582 ( 15276 PWs) bands (ev): -40.6738 -40.6738 -40.6712 -40.6712 -40.4978 -40.4978 -40.4970 -40.4970 -2.5897 -2.5897 -2.5444 -2.5444 -2.0367 -2.0367 -1.9745 -1.9745 -1.9102 -1.9102 -1.8030 -1.8030 -1.6676 -1.6676 -1.6522 -1.6522 -1.6237 -1.6237 -1.5540 -1.5540 -1.1668 -1.1668 -1.0176 -1.0176 0.6448 0.6448 0.7529 0.7529 2.6102 2.6102 2.8423 2.8423 3.7565 3.7565 3.9344 3.9344 6.1296 6.1296 6.4126 6.4126 6.9558 6.9558 7.6787 7.6787 k = 0.2800 0.4850 0.2582 ( 15286 PWs) bands (ev): -40.6740 -40.6740 -40.6710 -40.6710 -40.4977 -40.4977 -40.4970 -40.4970 -2.6003 -2.6003 -2.5490 -2.5490 -2.0364 -2.0364 -1.9764 -1.9764 -1.9107 -1.9107 -1.8047 -1.8047 -1.6683 -1.6683 -1.6514 -1.6514 -1.6251 -1.6251 -1.5541 -1.5541 -1.1985 -1.1985 -1.0342 -1.0342 0.6816 0.6816 0.7953 0.7953 2.6507 2.6507 2.8748 2.8748 3.7212 3.7212 3.9112 3.9112 6.1335 6.1335 6.4418 6.4418 7.0397 7.0397 7.7160 7.7160 k = 0.2733 0.4734 0.2582 ( 15290 PWs) bands (ev): -40.6743 -40.6743 -40.6709 -40.6709 -40.4977 -40.4977 -40.4970 -40.4970 -2.6126 -2.6126 -2.5544 -2.5544 -2.0362 -2.0362 -1.9784 -1.9784 -1.9115 -1.9115 -1.8067 -1.8067 -1.6690 -1.6690 -1.6506 -1.6506 -1.6266 -1.6266 -1.5542 -1.5542 -1.2313 -1.2313 -1.0539 -1.0539 0.7257 0.7257 0.8418 0.8418 2.6950 2.6950 2.9106 2.9106 3.6849 3.6849 3.8829 3.8829 6.1470 6.1470 6.4754 6.4754 7.1256 7.1256 7.7570 7.7570 k = 0.2667 0.4619 0.2582 ( 15272 PWs) bands (ev): -40.6745 -40.6745 -40.6707 -40.6707 -40.4976 -40.4976 -40.4969 -40.4969 -2.6266 -2.6266 -2.5607 -2.5607 -2.0360 -2.0360 -1.9805 -1.9805 -1.9127 -1.9127 -1.8091 -1.8091 -1.6695 -1.6695 -1.6499 -1.6499 -1.6281 -1.6281 -1.5544 -1.5544 -1.2645 -1.2645 -1.0763 -1.0763 0.7768 0.7768 0.8918 0.8918 2.7427 2.7427 2.9493 2.9493 3.6482 3.6482 3.8501 3.8501 6.1695 6.1695 6.5131 6.5131 7.2134 7.2134 7.8013 7.8013 k = 0.2600 0.4503 0.2582 ( 15274 PWs) bands (ev): -40.6748 -40.6748 -40.6706 -40.6706 -40.4976 -40.4976 -40.4969 -40.4969 -2.6425 -2.6425 -2.5680 -2.5680 -2.0357 -2.0357 -1.9825 -1.9825 -1.9142 -1.9142 -1.8120 -1.8120 -1.6700 -1.6700 -1.6493 -1.6493 -1.6297 -1.6297 -1.5547 -1.5547 -1.2975 -1.2975 -1.1009 -1.1009 0.8345 0.8345 0.9451 0.9451 2.7933 2.7933 2.9907 2.9907 3.6118 3.6118 3.8137 3.8137 6.2004 6.2004 6.5550 6.5550 7.3030 7.3030 7.8487 7.8487 k = 0.2533 0.4388 0.2582 ( 15268 PWs) bands (ev): -40.6750 -40.6750 -40.6704 -40.6704 -40.4975 -40.4975 -40.4968 -40.4968 -2.6602 -2.6602 -2.5763 -2.5763 -2.0355 -2.0355 -1.9846 -1.9846 -1.9162 -1.9162 -1.8153 -1.8153 -1.6705 -1.6705 -1.6490 -1.6490 -1.6311 -1.6311 -1.5551 -1.5551 -1.3297 -1.3297 -1.1271 -1.1271 0.8986 0.8986 1.0011 1.0011 2.8464 2.8464 3.0343 3.0343 3.5765 3.5765 3.7746 3.7746 6.2389 6.2389 6.6006 6.6006 7.3942 7.3942 7.8989 7.8989 k = 0.2467 0.4272 0.2582 ( 15264 PWs) bands (ev): -40.6753 -40.6753 -40.6703 -40.6703 -40.4974 -40.4974 -40.4967 -40.4967 -2.6799 -2.6799 -2.5855 -2.5855 -2.0354 -2.0354 -1.9867 -1.9867 -1.9185 -1.9185 -1.8192 -1.8192 -1.6709 -1.6709 -1.6490 -1.6490 -1.6322 -1.6322 -1.5558 -1.5558 -1.3606 -1.3606 -1.1546 -1.1546 0.9686 0.9686 1.0594 1.0594 2.9013 2.9013 3.0796 3.0796 3.5432 3.5432 3.7338 3.7338 6.2842 6.2842 6.6499 6.6499 7.4869 7.4869 7.9515 7.9515 k = 0.2400 0.4157 0.2582 ( 15250 PWs) bands (ev): -40.6756 -40.6756 -40.6702 -40.6702 -40.4974 -40.4974 -40.4967 -40.4967 -2.7015 -2.7015 -2.5958 -2.5958 -2.0353 -2.0353 -1.9887 -1.9887 -1.9213 -1.9213 -1.8235 -1.8235 -1.6712 -1.6712 -1.6495 -1.6495 -1.6329 -1.6329 -1.5566 -1.5566 -1.3897 -1.3897 -1.1829 -1.1829 1.0441 1.0441 1.1196 1.1196 2.9574 2.9574 3.1258 3.1258 3.5131 3.5131 3.6928 3.6928 6.3354 6.3354 6.7026 6.7026 7.5808 7.5808 8.0062 8.0062 k = 0.2333 0.4041 0.2582 ( 15242 PWs) bands (ev): -40.6759 -40.6759 -40.6701 -40.6701 -40.4973 -40.4973 -40.4966 -40.4966 -2.7251 -2.7251 -2.6071 -2.6071 -2.0352 -2.0352 -1.9906 -1.9906 -1.9245 -1.9245 -1.8283 -1.8283 -1.6716 -1.6716 -1.6506 -1.6506 -1.6331 -1.6331 -1.5577 -1.5577 -1.4167 -1.4167 -1.2114 -1.2114 1.1247 1.1247 1.1811 1.1811 3.0135 3.0135 3.1716 3.1716 3.4878 3.4878 3.6533 3.6533 6.3919 6.3919 6.7584 6.7584 7.6759 7.6759 8.0625 8.0625 k = 0.2267 0.3926 0.2582 ( 15258 PWs) bands (ev): -40.6762 -40.6762 -40.6700 -40.6700 -40.4972 -40.4972 -40.4965 -40.4965 -2.7505 -2.7505 -2.6194 -2.6194 -2.0352 -2.0352 -1.9925 -1.9925 -1.9280 -1.9280 -1.8336 -1.8336 -1.6720 -1.6720 -1.6522 -1.6522 -1.6328 -1.6328 -1.5592 -1.5592 -1.4412 -1.4412 -1.2399 -1.2399 1.2098 1.2098 1.2434 1.2434 3.0679 3.0679 3.2146 3.2146 3.4696 3.4696 3.6182 3.6182 6.4528 6.4528 6.8171 6.8171 7.7715 7.7715 8.1198 8.1198 k = 0.2200 0.3811 0.2582 ( 15246 PWs) bands (ev): -40.6765 -40.6765 -40.6699 -40.6699 -40.4971 -40.4971 -40.4964 -40.4964 -2.7778 -2.7778 -2.6328 -2.6328 -2.0353 -2.0353 -1.9943 -1.9943 -1.9319 -1.9319 -1.8394 -1.8394 -1.6727 -1.6727 -1.6541 -1.6541 -1.6320 -1.6320 -1.5610 -1.5610 -1.4630 -1.4630 -1.2678 -1.2678 1.2965 1.2965 1.3085 1.3085 3.1180 3.1180 3.2507 3.2507 3.4616 3.4616 3.5921 3.5921 6.5173 6.5173 6.8784 6.8784 7.8674 7.8674 8.1773 8.1773 k = 0.2133 0.3695 0.2582 ( 15250 PWs) bands (ev): -40.6768 -40.6768 -40.6698 -40.6698 -40.4970 -40.4970 -40.4963 -40.4963 -2.8068 -2.8068 -2.6471 -2.6471 -2.0355 -2.0355 -1.9960 -1.9960 -1.9360 -1.9360 -1.8457 -1.8457 -1.6737 -1.6737 -1.6559 -1.6559 -1.6309 -1.6309 -1.5635 -1.5635 -1.4818 -1.4818 -1.2951 -1.2951 1.3641 1.3641 1.3957 1.3957 3.1605 3.1605 3.2737 3.2737 3.4679 3.4679 3.5816 3.5816 6.5848 6.5848 6.9419 6.9419 7.9628 7.9628 8.2338 8.2338 k = 0.2067 0.3580 0.2582 ( 15254 PWs) bands (ev): -40.6771 -40.6771 -40.6697 -40.6697 -40.4969 -40.4969 -40.4963 -40.4963 -2.8374 -2.8374 -2.6625 -2.6625 -2.0357 -2.0357 -1.9976 -1.9976 -1.9403 -1.9403 -1.8524 -1.8524 -1.6753 -1.6753 -1.6575 -1.6575 -1.6296 -1.6296 -1.5666 -1.5666 -1.4976 -1.4976 -1.3213 -1.3213 1.4240 1.4240 1.4926 1.4926 3.1928 3.1928 3.2779 3.2779 3.4917 3.4917 3.5928 3.5928 6.6543 6.6543 7.0075 7.0075 8.0567 8.0567 8.2880 8.2880 k = 0.2000 0.3464 0.2582 ( 15258 PWs) bands (ev): -40.6774 -40.6774 -40.6696 -40.6696 -40.4968 -40.4968 -40.4962 -40.4962 -2.8694 -2.8694 -2.6787 -2.6787 -2.0361 -2.0361 -1.9991 -1.9991 -1.9447 -1.9447 -1.8595 -1.8595 -1.6775 -1.6775 -1.6586 -1.6586 -1.6282 -1.6282 -1.5706 -1.5706 -1.5104 -1.5104 -1.3463 -1.3463 1.4809 1.4809 1.5931 1.5931 3.2159 3.2159 3.2642 3.2642 3.5329 3.5329 3.6254 3.6254 6.7253 6.7253 7.0747 7.0747 8.1478 8.1478 8.3377 8.3377 k = 0.1933 0.3349 0.2582 ( 15254 PWs) bands (ev): -40.6777 -40.6777 -40.6695 -40.6695 -40.4967 -40.4967 -40.4961 -40.4961 -2.9026 -2.9026 -2.6959 -2.6959 -2.0365 -2.0365 -2.0004 -2.0004 -1.9492 -1.9492 -1.8668 -1.8668 -1.6804 -1.6804 -1.6592 -1.6592 -1.6267 -1.6267 -1.5753 -1.5753 -1.5202 -1.5202 -1.3700 -1.3700 1.5342 1.5342 1.6963 1.6963 3.2329 3.2329 3.2403 3.2403 3.5879 3.5879 3.6734 3.6734 6.7968 6.7968 7.1433 7.1433 8.2341 8.2341 8.3801 8.3801 k = 0.1867 0.3233 0.2582 ( 15250 PWs) bands (ev): -40.6780 -40.6780 -40.6695 -40.6695 -40.4966 -40.4966 -40.4960 -40.4960 -2.9368 -2.9368 -2.7138 -2.7138 -2.0370 -2.0370 -2.0017 -2.0017 -1.9536 -1.9536 -1.8744 -1.8744 -1.6838 -1.6838 -1.6594 -1.6594 -1.6253 -1.6253 -1.5805 -1.5805 -1.5275 -1.5275 -1.3922 -1.3922 1.5830 1.5830 1.8015 1.8015 3.2077 3.2077 3.2533 3.2533 3.6526 3.6526 3.7314 3.7314 6.8680 6.8680 7.2128 7.2128 8.3130 8.3130 8.4121 8.4121 k = 0.1800 0.3118 0.2582 ( 15248 PWs) bands (ev): -40.6783 -40.6783 -40.6694 -40.6694 -40.4965 -40.4965 -40.4959 -40.4959 -2.9718 -2.9718 -2.7325 -2.7325 -2.0376 -2.0376 -2.0028 -2.0028 -1.9580 -1.9580 -1.8821 -1.8821 -1.6876 -1.6876 -1.6593 -1.6593 -1.6239 -1.6239 -1.5858 -1.5858 -1.5329 -1.5329 -1.4128 -1.4128 1.6266 1.6266 1.9079 1.9079 3.1758 3.1758 3.2759 3.2759 3.7237 3.7237 3.7957 3.7957 6.9381 6.9381 7.2828 7.2828 8.3813 8.3813 8.4311 8.4311 k = 0.1733 0.3002 0.2582 ( 15260 PWs) bands (ev): -40.6786 -40.6786 -40.6693 -40.6693 -40.4964 -40.4964 -40.4958 -40.4958 -3.0073 -3.0073 -2.7519 -2.7519 -2.0382 -2.0382 -2.0038 -2.0038 -1.9623 -1.9623 -1.8899 -1.8899 -1.6915 -1.6915 -1.6590 -1.6590 -1.6228 -1.6228 -1.5906 -1.5906 -1.5370 -1.5370 -1.4318 -1.4318 1.6642 1.6642 2.0143 2.0143 3.1458 3.1458 3.3053 3.3053 3.7993 3.7993 3.8646 3.8646 7.0060 7.0060 7.3528 7.3528 8.4304 8.4304 8.4414 8.4414 k = 0.1667 0.2887 0.2582 ( 15264 PWs) bands (ev): -40.6789 -40.6789 -40.6693 -40.6693 -40.4962 -40.4962 -40.4957 -40.4957 -3.0431 -3.0431 -2.7717 -2.7717 -2.0388 -2.0388 -2.0048 -2.0048 -1.9663 -1.9663 -1.8977 -1.8977 -1.6955 -1.6955 -1.6586 -1.6586 -1.6222 -1.6222 -1.5946 -1.5946 -1.5402 -1.5402 -1.4493 -1.4493 1.6954 1.6954 2.1191 2.1191 3.1203 3.1203 3.3430 3.3430 3.8781 3.8781 3.9368 3.9368 7.0710 7.0710 7.4222 7.4222 8.4260 8.4260 8.4768 8.4768 k = 0.1600 0.2771 0.2582 ( 15264 PWs) bands (ev): -40.6792 -40.6792 -40.6692 -40.6692 -40.4961 -40.4961 -40.4955 -40.4955 -3.0791 -3.0791 -2.7920 -2.7920 -2.0395 -2.0395 -2.0056 -2.0056 -1.9702 -1.9702 -1.9054 -1.9054 -1.6995 -1.6995 -1.6581 -1.6581 -1.6223 -1.6223 -1.5973 -1.5973 -1.5428 -1.5428 -1.4651 -1.4651 1.7200 1.7200 2.2196 2.2196 3.1024 3.1024 3.3897 3.3897 3.9594 3.9594 4.0116 4.0116 7.1318 7.1318 7.4904 7.4904 8.4085 8.4085 8.5011 8.5011 k = 0.1533 0.2656 0.2582 ( 15276 PWs) bands (ev): -40.6796 -40.6796 -40.6692 -40.6692 -40.4960 -40.4960 -40.4954 -40.4954 -3.1149 -3.1149 -2.8126 -2.8126 -2.0401 -2.0401 -2.0064 -2.0064 -1.9739 -1.9739 -1.9129 -1.9129 -1.7034 -1.7034 -1.6577 -1.6577 -1.6235 -1.6235 -1.5986 -1.5986 -1.5450 -1.5450 -1.4794 -1.4794 1.7381 1.7381 2.3124 2.3124 3.0961 3.0961 3.4459 3.4459 4.0424 4.0424 4.0887 4.0887 7.1877 7.1877 7.5564 7.5564 8.3852 8.3852 8.5131 8.5131 k = 0.1467 0.2540 0.2582 ( 15272 PWs) bands (ev): -40.6798 -40.6798 -40.6692 -40.6692 -40.4959 -40.4959 -40.4953 -40.4953 -3.1503 -3.1503 -2.8334 -2.8334 -2.0407 -2.0407 -2.0071 -2.0071 -1.9773 -1.9773 -1.9204 -1.9204 -1.7071 -1.7071 -1.6574 -1.6574 -1.6255 -1.6255 -1.5985 -1.5985 -1.5471 -1.5471 -1.4921 -1.4921 1.7501 1.7501 2.3923 2.3923 3.1065 3.1065 3.5114 3.5114 4.1269 4.1269 4.1676 4.1676 7.2377 7.2377 7.6193 7.6193 8.3600 8.3600 8.5158 8.5158 k = 0.1400 0.2425 0.2582 ( 15268 PWs) bands (ev): -40.6801 -40.6801 -40.6691 -40.6691 -40.4958 -40.4958 -40.4952 -40.4952 -3.1853 -3.1853 -2.8542 -2.8542 -2.0412 -2.0412 -2.0078 -2.0078 -1.9805 -1.9805 -1.9276 -1.9276 -1.7108 -1.7108 -1.6571 -1.6571 -1.6281 -1.6281 -1.5974 -1.5974 -1.5491 -1.5491 -1.5033 -1.5033 1.7565 1.7565 2.4543 2.4543 3.1390 3.1390 3.5857 3.5857 4.2125 4.2125 4.2481 4.2481 7.2811 7.2811 7.6775 7.6775 8.3360 8.3360 8.5117 8.5117 k = 0.1333 0.2309 0.2582 ( 15246 PWs) bands (ev): -40.6804 -40.6804 -40.6691 -40.6691 -40.4957 -40.4957 -40.4951 -40.4951 -3.2196 -3.2196 -2.8750 -2.8750 -2.0417 -2.0417 -2.0084 -2.0084 -1.9834 -1.9834 -1.9345 -1.9345 -1.7142 -1.7142 -1.6569 -1.6569 -1.6309 -1.6309 -1.5957 -1.5957 -1.5512 -1.5512 -1.5131 -1.5131 1.7579 1.7579 2.4952 2.4952 3.1967 3.1967 3.6682 3.6682 4.2987 4.2987 4.3298 4.3298 7.3176 7.3176 7.7292 7.7292 8.3162 8.3162 8.5023 8.5023 k = 0.1267 0.2194 0.2582 ( 15274 PWs) bands (ev): -40.6807 -40.6807 -40.6691 -40.6691 -40.4956 -40.4956 -40.4950 -40.4950 -3.2530 -3.2530 -2.8955 -2.8955 -2.0420 -2.0420 -2.0090 -2.0090 -1.9862 -1.9862 -1.9413 -1.9413 -1.7175 -1.7175 -1.6568 -1.6568 -1.6337 -1.6337 -1.5936 -1.5936 -1.5534 -1.5534 -1.5213 -1.5213 1.7553 1.7553 2.5161 2.5161 3.2784 3.2784 3.7581 3.7581 4.3855 4.3855 4.4127 4.4127 7.3469 7.3469 7.7725 7.7725 8.3032 8.3032 8.4883 8.4883 k = 0.1200 0.2078 0.2582 ( 15276 PWs) bands (ev): -40.6810 -40.6810 -40.6691 -40.6691 -40.4954 -40.4954 -40.4949 -40.4949 -3.2854 -3.2854 -2.9158 -2.9158 -2.0423 -2.0423 -2.0095 -2.0095 -1.9888 -1.9888 -1.9477 -1.9477 -1.7205 -1.7205 -1.6568 -1.6568 -1.6366 -1.6366 -1.5912 -1.5912 -1.5558 -1.5558 -1.5281 -1.5281 1.7493 1.7493 2.5214 2.5214 3.3796 3.3796 3.8547 3.8547 4.4724 4.4724 4.4964 4.4964 7.3691 7.3691 7.8053 7.8053 8.2994 8.2994 8.4695 8.4695 k = 0.1133 0.1963 0.2582 ( 15266 PWs) bands (ev): -40.6812 -40.6812 -40.6691 -40.6691 -40.4953 -40.4953 -40.4948 -40.4948 -3.3167 -3.3167 -2.9356 -2.9356 -2.0424 -2.0424 -2.0101 -2.0101 -1.9911 -1.9911 -1.9539 -1.9539 -1.7234 -1.7234 -1.6570 -1.6570 -1.6393 -1.6393 -1.5888 -1.5888 -1.5585 -1.5585 -1.5335 -1.5335 1.7406 1.7406 2.5162 2.5162 3.4954 3.4954 3.9572 3.9572 4.5592 4.5592 4.5806 4.5806 7.3847 7.3847 7.8264 7.8264 8.3060 8.3060 8.4458 8.4458 k = 0.1067 0.1848 0.2582 ( 15266 PWs) bands (ev): -40.6815 -40.6815 -40.6691 -40.6691 -40.4952 -40.4952 -40.4947 -40.4947 -3.3468 -3.3468 -2.9548 -2.9548 -2.0424 -2.0424 -2.0106 -2.0106 -1.9933 -1.9933 -1.9597 -1.9597 -1.7260 -1.7260 -1.6573 -1.6573 -1.6419 -1.6419 -1.5863 -1.5863 -1.5613 -1.5613 -1.5377 -1.5377 1.7300 1.7300 2.5044 2.5044 3.6215 3.6215 4.0647 4.0647 4.6456 4.6456 4.6651 4.6651 7.3941 7.3941 7.8363 7.8363 8.3222 8.3222 8.4170 8.4170 k = 0.1000 0.1732 0.2582 ( 15266 PWs) bands (ev): -40.6817 -40.6817 -40.6691 -40.6691 -40.4951 -40.4951 -40.4946 -40.4946 -3.3755 -3.3755 -2.9735 -2.9735 -2.0423 -2.0423 -2.0111 -2.0111 -1.9953 -1.9953 -1.9653 -1.9653 -1.7285 -1.7285 -1.6576 -1.6576 -1.6444 -1.6444 -1.5839 -1.5839 -1.5642 -1.5642 -1.5409 -1.5409 1.7179 1.7179 2.4888 2.4888 3.7551 3.7551 4.1766 4.1766 4.7314 4.7314 4.7495 4.7495 7.3982 7.3982 7.8369 7.8369 8.3449 8.3449 8.3836 8.3836 k = 0.0933 0.1617 0.2582 ( 15272 PWs) bands (ev): -40.6819 -40.6819 -40.6691 -40.6691 -40.4950 -40.4950 -40.4945 -40.4945 -3.4027 -3.4027 -2.9913 -2.9913 -2.0420 -2.0420 -2.0116 -2.0116 -1.9972 -1.9972 -1.9706 -1.9706 -1.7307 -1.7307 -1.6581 -1.6581 -1.6468 -1.6468 -1.5817 -1.5817 -1.5667 -1.5667 -1.5433 -1.5433 1.7048 1.7048 2.4712 2.4712 3.8941 3.8941 4.2920 4.2920 4.8161 4.8161 4.8334 4.8334 7.3975 7.3975 7.8310 7.8310 8.3412 8.3412 8.3753 8.3753 k = 0.0867 0.1501 0.2582 ( 15254 PWs) bands (ev): -40.6821 -40.6821 -40.6690 -40.6690 -40.4949 -40.4949 -40.4944 -40.4944 -3.4284 -3.4284 -3.0083 -3.0083 -2.0416 -2.0416 -2.0121 -2.0121 -1.9989 -1.9989 -1.9756 -1.9756 -1.7328 -1.7328 -1.6586 -1.6586 -1.6490 -1.6490 -1.5800 -1.5800 -1.5686 -1.5686 -1.5452 -1.5452 1.6913 1.6913 2.4527 2.4527 4.0370 4.0370 4.4103 4.4103 4.8994 4.8994 4.9165 4.9165 7.3929 7.3929 7.8211 7.8211 8.2985 8.2985 8.3997 8.3997 k = 0.0800 0.1386 0.2582 ( 15250 PWs) bands (ev): -40.6823 -40.6823 -40.6690 -40.6690 -40.4948 -40.4948 -40.4943 -40.4943 -3.4524 -3.4524 -3.0244 -3.0244 -2.0411 -2.0411 -2.0126 -2.0126 -2.0004 -2.0004 -1.9803 -1.9803 -1.7346 -1.7346 -1.6592 -1.6592 -1.6511 -1.6511 -1.5792 -1.5792 -1.5695 -1.5695 -1.5468 -1.5468 1.6776 1.6776 2.4342 2.4342 4.1828 4.1828 4.5306 4.5306 4.9809 4.9809 4.9982 4.9982 7.3849 7.3849 7.8093 7.8093 8.2510 8.2510 8.4142 8.4142 k = 0.0733 0.1270 0.2582 ( 15252 PWs) bands (ev): -40.6825 -40.6825 -40.6690 -40.6690 -40.4948 -40.4948 -40.4942 -40.4942 -3.4748 -3.4748 -3.0395 -3.0395 -2.0404 -2.0404 -2.0131 -2.0131 -2.0019 -2.0019 -1.9848 -1.9848 -1.7363 -1.7363 -1.6598 -1.6598 -1.6531 -1.6531 -1.5795 -1.5795 -1.5690 -1.5690 -1.5480 -1.5480 1.6642 1.6642 2.4162 2.4162 4.3303 4.3303 4.6522 4.6522 5.0600 5.0600 5.0782 5.0782 7.3741 7.3741 7.7970 7.7970 8.2000 8.2000 8.4000 8.4000 k = 0.0667 0.1155 0.2582 ( 15244 PWs) bands (ev): -40.6827 -40.6827 -40.6690 -40.6690 -40.4947 -40.4947 -40.4942 -40.4942 -3.4954 -3.4954 -3.0535 -3.0535 -2.0396 -2.0396 -2.0135 -2.0135 -2.0032 -2.0032 -1.9889 -1.9889 -1.7378 -1.7378 -1.6604 -1.6604 -1.6549 -1.6549 -1.5805 -1.5805 -1.5678 -1.5678 -1.5490 -1.5490 1.6511 1.6511 2.3991 2.3991 4.4787 4.4787 4.7741 4.7741 5.1360 5.1360 5.1560 5.1560 7.3607 7.3607 7.7852 7.7852 8.1462 8.1462 8.3498 8.3498 k = 0.0600 0.1039 0.2582 ( 15236 PWs) bands (ev): -40.6829 -40.6829 -40.6690 -40.6690 -40.4946 -40.4946 -40.4941 -40.4941 -3.5142 -3.5142 -3.0663 -3.0663 -2.0387 -2.0387 -2.0140 -2.0140 -2.0044 -2.0044 -1.9928 -1.9928 -1.7391 -1.7391 -1.6611 -1.6611 -1.6565 -1.6565 -1.5816 -1.5816 -1.5662 -1.5662 -1.5499 -1.5499 1.6388 1.6388 2.3832 2.3832 4.6269 4.6269 4.8952 4.8952 5.2084 5.2084 5.2308 5.2308 7.3451 7.3451 7.7743 7.7743 8.0902 8.0902 8.2820 8.2820 k = 0.0533 0.0924 0.2582 ( 15224 PWs) bands (ev): -40.6830 -40.6830 -40.6690 -40.6690 -40.4945 -40.4945 -40.4940 -40.4940 -3.5311 -3.5311 -3.0779 -3.0779 -2.0376 -2.0376 -2.0145 -2.0145 -2.0055 -2.0055 -1.9964 -1.9964 -1.7402 -1.7402 -1.6617 -1.6617 -1.6580 -1.6580 -1.5827 -1.5827 -1.5645 -1.5645 -1.5506 -1.5506 1.6273 1.6273 2.3685 2.3685 4.7737 4.7737 5.0142 5.0142 5.2763 5.2763 5.3021 5.3021 7.3273 7.3273 7.7644 7.7644 8.0320 8.0320 8.2095 8.2095 k = 0.0467 0.0808 0.2582 ( 15228 PWs) bands (ev): -40.6831 -40.6831 -40.6690 -40.6690 -40.4945 -40.4945 -40.4940 -40.4940 -3.5461 -3.5461 -3.0883 -3.0883 -2.0365 -2.0365 -2.0150 -2.0150 -2.0065 -2.0065 -1.9997 -1.9997 -1.7412 -1.7412 -1.6622 -1.6622 -1.6594 -1.6594 -1.5837 -1.5837 -1.5630 -1.5630 -1.5512 -1.5512 1.6169 1.6169 2.3554 2.3554 4.9175 4.9175 5.1296 5.1296 5.3390 5.3390 5.3689 5.3689 7.3074 7.3074 7.7548 7.7548 7.9716 7.9716 8.1385 8.1385 k = 0.0400 0.0693 0.2582 ( 15224 PWs) bands (ev): -40.6832 -40.6832 -40.6691 -40.6691 -40.4944 -40.4944 -40.4939 -40.4939 -3.5592 -3.5592 -3.0974 -3.0974 -2.0352 -2.0352 -2.0156 -2.0156 -2.0074 -2.0074 -2.0026 -2.0026 -1.7421 -1.7421 -1.6627 -1.6627 -1.6605 -1.6605 -1.5846 -1.5846 -1.5616 -1.5616 -1.5517 -1.5517 1.6076 1.6076 2.3438 2.3438 5.0562 5.0562 5.2394 5.2394 5.3957 5.3957 5.4304 5.4304 7.2852 7.2852 7.7434 7.7434 7.9084 7.9084 8.0736 8.0736 k = 0.0333 0.0577 0.2582 ( 15224 PWs) bands (ev): -40.6833 -40.6833 -40.6691 -40.6691 -40.4944 -40.4944 -40.4939 -40.4939 -3.5703 -3.5703 -3.1051 -3.1051 -2.0337 -2.0337 -2.0164 -2.0164 -2.0082 -2.0082 -2.0050 -2.0050 -1.7427 -1.7427 -1.6632 -1.6632 -1.6615 -1.6615 -1.5852 -1.5852 -1.5604 -1.5604 -1.5520 -1.5520 1.5995 1.5995 2.3339 2.3339 5.1871 5.1871 5.3411 5.3411 5.4459 5.4459 5.4853 5.4853 7.2606 7.2606 7.7272 7.7272 7.8428 7.8428 8.0208 8.0208 k = 0.0267 0.0462 0.2582 ( 15220 PWs) bands (ev): -40.6834 -40.6834 -40.6691 -40.6691 -40.4943 -40.4943 -40.4938 -40.4938 -3.5795 -3.5795 -3.1115 -3.1115 -2.0322 -2.0322 -2.0174 -2.0174 -2.0090 -2.0090 -2.0068 -2.0068 -1.7433 -1.7433 -1.6636 -1.6636 -1.6623 -1.6623 -1.5858 -1.5858 -1.5594 -1.5594 -1.5523 -1.5523 1.5928 1.5928 2.3258 2.3258 5.3065 5.3065 5.4312 5.4312 5.4889 5.4889 5.5327 5.5327 7.2339 7.2339 7.7027 7.7027 7.7775 7.7775 7.9863 7.9863 k = 0.0200 0.0346 0.2582 ( 15228 PWs) bands (ev): -40.6835 -40.6835 -40.6691 -40.6691 -40.4943 -40.4943 -40.4938 -40.4938 -3.5866 -3.5866 -3.1165 -3.1165 -2.0306 -2.0306 -2.0188 -2.0188 -2.0097 -2.0097 -2.0080 -2.0080 -1.7437 -1.7437 -1.6639 -1.6639 -1.6629 -1.6629 -1.5862 -1.5862 -1.5587 -1.5587 -1.5524 -1.5524 1.5876 1.5876 2.3194 2.3194 5.4093 5.4093 5.5043 5.5043 5.5262 5.5262 5.5716 5.5716 7.2062 7.2062 7.6700 7.6700 7.7189 7.7189 7.9733 7.9733 k = 0.0133 0.0231 0.2582 ( 15236 PWs) bands (ev): -40.6835 -40.6835 -40.6691 -40.6691 -40.4943 -40.4943 -40.4938 -40.4938 -3.5917 -3.5917 -3.1201 -3.1201 -2.0290 -2.0290 -2.0203 -2.0203 -2.0103 -2.0103 -2.0087 -2.0087 -1.7440 -1.7440 -1.6642 -1.6642 -1.6634 -1.6634 -1.5865 -1.5865 -1.5582 -1.5582 -1.5525 -1.5525 1.5838 1.5838 2.3148 2.3148 5.4887 5.4887 5.5450 5.5450 5.5686 5.5686 5.6018 5.6018 7.1803 7.1803 7.6354 7.6354 7.6742 7.6742 7.9792 7.9792 k = 0.0067 0.0115 0.2582 ( 15232 PWs) bands (ev): -40.6836 -40.6836 -40.6691 -40.6691 -40.4943 -40.4943 -40.4938 -40.4938 -3.5948 -3.5948 -3.1222 -3.1222 -2.0275 -2.0275 -2.0218 -2.0218 -2.0106 -2.0106 -2.0091 -2.0091 -1.7442 -1.7442 -1.6644 -1.6644 -1.6636 -1.6636 -1.5866 -1.5866 -1.5580 -1.5580 -1.5525 -1.5525 1.5815 1.5815 2.3120 2.3120 5.5358 5.5358 5.5673 5.5673 5.5993 5.5993 5.6234 5.6234 7.1613 7.1613 7.6094 7.6094 7.6467 7.6467 7.9969 7.9969 k = 0.0000 0.0000 0.2582 ( 15230 PWs) bands (ev): -40.6836 -40.6836 -40.6691 -40.6691 -40.4943 -40.4943 -40.4938 -40.4938 -3.5958 -3.5958 -3.1230 -3.1230 -2.0267 -2.0267 -2.0225 -2.0225 -2.0107 -2.0107 -2.0092 -2.0092 -1.7442 -1.7442 -1.6644 -1.6644 -1.6637 -1.6637 -1.5867 -1.5867 -1.5579 -1.5579 -1.5525 -1.5525 1.5807 1.5807 2.3111 2.3111 5.5488 5.5488 5.5781 5.5781 5.6084 5.6084 5.6322 5.6322 7.1542 7.1542 7.5999 7.5999 7.6374 7.6374 8.0059 8.0059 k = 0.5000 0.2887 0.2582 ( 15280 PWs) bands (ev): -40.6751 -40.6751 -40.6704 -40.6704 -40.4975 -40.4975 -40.4968 -40.4968 -2.6662 -2.6662 -2.5814 -2.5814 -2.0216 -2.0216 -2.0213 -2.0213 -1.8987 -1.8987 -1.7763 -1.7763 -1.6838 -1.6838 -1.6614 -1.6614 -1.6297 -1.6297 -1.5418 -1.5418 -1.2208 -1.2208 -1.2025 -1.2025 0.5140 0.5140 0.8347 0.8347 3.4115 3.4115 3.7872 3.7872 3.8244 3.8244 3.8802 3.8802 5.1096 5.1096 6.3102 6.3102 7.1793 7.1793 8.1029 8.1029 k = 0.5000 0.2887 0.2453 ( 15268 PWs) bands (ev): -40.6751 -40.6751 -40.6704 -40.6704 -40.4975 -40.4975 -40.4968 -40.4968 -2.6666 -2.6666 -2.5810 -2.5810 -2.0216 -2.0216 -2.0213 -2.0213 -1.8987 -1.8987 -1.7762 -1.7762 -1.6838 -1.6838 -1.6614 -1.6614 -1.6297 -1.6297 -1.5418 -1.5418 -1.2218 -1.2218 -1.2013 -1.2013 0.5131 0.5131 0.8366 0.8366 3.4025 3.4025 3.7750 3.7750 3.8279 3.8279 3.8926 3.8926 5.1126 5.1126 6.3196 6.3196 7.1793 7.1793 8.1033 8.1033 k = 0.5000 0.2887 0.2324 ( 15266 PWs) bands (ev): -40.6751 -40.6751 -40.6704 -40.6704 -40.4974 -40.4974 -40.4968 -40.4968 -2.6678 -2.6678 -2.5800 -2.5800 -2.0217 -2.0217 -2.0213 -2.0213 -1.8987 -1.8987 -1.7761 -1.7761 -1.6838 -1.6838 -1.6614 -1.6614 -1.6297 -1.6297 -1.5418 -1.5418 -1.2244 -1.2244 -1.1984 -1.1984 0.5106 0.5106 0.8423 0.8423 3.3775 3.3775 3.7494 3.7494 3.8354 3.8354 3.9202 3.9202 5.1222 5.1222 6.3475 6.3475 7.1794 7.1794 8.1044 8.1044 k = 0.5000 0.2887 0.2195 ( 15268 PWs) bands (ev): -40.6751 -40.6751 -40.6704 -40.6704 -40.4974 -40.4974 -40.4968 -40.4968 -2.6697 -2.6697 -2.5783 -2.5783 -2.0217 -2.0217 -2.0212 -2.0212 -1.8988 -1.8988 -1.7759 -1.7759 -1.6837 -1.6837 -1.6614 -1.6614 -1.6297 -1.6297 -1.5417 -1.5417 -1.2276 -1.2276 -1.1946 -1.1946 0.5066 0.5066 0.8514 0.8514 3.3402 3.3402 3.7202 3.7202 3.8425 3.8425 3.9533 3.9533 5.1396 5.1396 6.3927 6.3927 7.1796 7.1796 8.1061 8.1061 k = 0.5000 0.2887 0.2066 ( 15268 PWs) bands (ev): -40.6751 -40.6751 -40.6704 -40.6704 -40.4975 -40.4975 -40.4968 -40.4968 -2.6721 -2.6721 -2.5761 -2.5761 -2.0218 -2.0218 -2.0212 -2.0212 -1.8989 -1.8989 -1.7756 -1.7756 -1.6837 -1.6837 -1.6614 -1.6614 -1.6297 -1.6297 -1.5417 -1.5417 -1.2310 -1.2310 -1.1903 -1.1903 0.5016 0.5016 0.8635 0.8635 3.2949 3.2949 3.6905 3.6905 3.8455 3.8455 3.9886 3.9886 5.1664 5.1664 6.4532 6.4532 7.1799 7.1799 8.1085 8.1085 k = 0.5000 0.2887 0.1937 ( 15270 PWs) bands (ev): -40.6751 -40.6751 -40.6704 -40.6704 -40.4974 -40.4974 -40.4968 -40.4968 -2.6750 -2.6750 -2.5735 -2.5735 -2.0218 -2.0218 -2.0212 -2.0212 -1.8990 -1.8990 -1.7753 -1.7753 -1.6836 -1.6836 -1.6614 -1.6614 -1.6297 -1.6297 -1.5416 -1.5416 -1.2345 -1.2345 -1.1858 -1.1858 0.4959 0.4959 0.8780 0.8780 3.2450 3.2450 3.6613 3.6613 3.8415 3.8415 4.0249 4.0249 5.2039 5.2039 6.5271 6.5271 7.1806 7.1806 8.1112 8.1112 k = 0.5000 0.2887 0.1808 ( 15280 PWs) bands (ev): -40.6751 -40.6751 -40.6704 -40.6704 -40.4975 -40.4975 -40.4968 -40.4968 -2.6782 -2.6782 -2.5707 -2.5707 -2.0219 -2.0219 -2.0212 -2.0212 -1.8991 -1.8991 -1.7749 -1.7749 -1.6836 -1.6836 -1.6615 -1.6615 -1.6297 -1.6297 -1.5415 -1.5415 -1.2378 -1.2378 -1.1813 -1.1813 0.4900 0.4900 0.8944 0.8944 3.1932 3.1932 3.6332 3.6332 3.8294 3.8294 4.0613 4.0613 5.2525 5.2525 6.6124 6.6124 7.1817 7.1817 8.1140 8.1140 k = 0.5000 0.2887 0.1679 ( 15284 PWs) bands (ev): -40.6751 -40.6751 -40.6704 -40.6704 -40.4975 -40.4975 -40.4968 -40.4968 -2.6816 -2.6816 -2.5677 -2.5677 -2.0219 -2.0219 -2.0211 -2.0211 -1.8992 -1.8992 -1.7745 -1.7745 -1.6835 -1.6835 -1.6615 -1.6615 -1.6297 -1.6297 -1.5414 -1.5414 -1.2409 -1.2409 -1.1768 -1.1768 0.4841 0.4841 0.9121 0.9121 3.1411 3.1411 3.6064 3.6064 3.8092 3.8092 4.0976 4.0976 5.3121 5.3121 6.7069 6.7069 7.1835 7.1835 8.1168 8.1168 k = 0.5000 0.2887 0.1549 ( 15272 PWs) bands (ev): -40.6751 -40.6751 -40.6704 -40.6704 -40.4975 -40.4975 -40.4968 -40.4968 -2.6851 -2.6851 -2.5646 -2.5646 -2.0220 -2.0220 -2.0211 -2.0211 -1.8994 -1.8994 -1.7740 -1.7740 -1.6834 -1.6834 -1.6615 -1.6615 -1.6298 -1.6298 -1.5412 -1.5412 -1.2439 -1.2439 -1.1723 -1.1723 0.4785 0.4785 0.9306 0.9306 3.0902 3.0902 3.5812 3.5812 3.7821 3.7821 4.1333 4.1333 5.3815 5.3815 6.8086 6.8086 7.1865 7.1865 8.1189 8.1189 k = 0.5000 0.2887 0.1420 ( 15276 PWs) bands (ev): -40.6751 -40.6751 -40.6704 -40.6704 -40.4975 -40.4975 -40.4968 -40.4968 -2.6886 -2.6886 -2.5616 -2.5616 -2.0220 -2.0220 -2.0211 -2.0211 -1.8995 -1.8995 -1.7736 -1.7736 -1.6833 -1.6833 -1.6615 -1.6615 -1.6298 -1.6298 -1.5411 -1.5411 -1.2466 -1.2466 -1.1681 -1.1681 0.4733 0.4733 0.9494 0.9494 3.0415 3.0415 3.5576 3.5576 3.7496 3.7496 4.1680 4.1680 5.4592 5.4592 6.9149 6.9149 7.1917 7.1917 8.1200 8.1200 k = 0.5000 0.2887 0.1291 ( 15276 PWs) bands (ev): -40.6751 -40.6751 -40.6704 -40.6704 -40.4975 -40.4975 -40.4968 -40.4968 -2.6920 -2.6920 -2.5587 -2.5587 -2.0221 -2.0221 -2.0211 -2.0211 -1.8997 -1.8997 -1.7731 -1.7731 -1.6832 -1.6832 -1.6616 -1.6616 -1.6298 -1.6298 -1.5410 -1.5410 -1.2491 -1.2491 -1.1640 -1.1640 0.4687 0.4687 0.9681 0.9681 2.9959 2.9959 3.5359 3.5359 3.7134 3.7134 4.2014 4.2014 5.5435 5.5435 7.0216 7.0216 7.2021 7.2021 8.1190 8.1190 k = 0.5000 0.2887 0.1162 ( 15270 PWs) bands (ev): -40.6751 -40.6751 -40.6704 -40.6704 -40.4975 -40.4975 -40.4968 -40.4968 -2.6952 -2.6952 -2.5559 -2.5559 -2.0221 -2.0221 -2.0212 -2.0212 -1.8998 -1.8998 -1.7726 -1.7726 -1.6832 -1.6832 -1.6616 -1.6616 -1.6298 -1.6298 -1.5408 -1.5408 -1.2514 -1.2514 -1.1602 -1.1602 0.4647 0.4647 0.9863 0.9863 2.9538 2.9538 3.5159 3.5159 3.6751 3.6751 4.2331 4.2331 5.6325 5.6325 7.1145 7.1145 7.2301 7.2301 8.1149 8.1149 k = 0.5000 0.2887 0.1033 ( 15282 PWs) bands (ev): -40.6751 -40.6751 -40.6704 -40.6704 -40.4975 -40.4975 -40.4968 -40.4968 -2.6983 -2.6983 -2.5533 -2.5533 -2.0221 -2.0221 -2.0212 -2.0212 -1.9000 -1.9000 -1.7721 -1.7721 -1.6831 -1.6831 -1.6616 -1.6616 -1.6298 -1.6298 -1.5407 -1.5407 -1.2535 -1.2535 -1.1566 -1.1566 0.4614 0.4614 1.0037 1.0037 2.9157 2.9157 3.4980 3.4980 3.6364 3.6364 4.2627 4.2627 5.7242 5.7242 7.1639 7.1639 7.3035 7.3035 8.1061 8.1061 k = 0.5000 0.2887 0.0904 ( 15270 PWs) bands (ev): -40.6751 -40.6751 -40.6704 -40.6704 -40.4975 -40.4975 -40.4968 -40.4968 -2.7011 -2.7011 -2.5510 -2.5510 -2.0221 -2.0221 -2.0212 -2.0212 -1.9001 -1.9001 -1.7717 -1.7717 -1.6830 -1.6830 -1.6617 -1.6617 -1.6298 -1.6298 -1.5406 -1.5406 -1.2553 -1.2553 -1.1534 -1.1534 0.4587 0.4587 1.0197 1.0197 2.8819 2.8819 3.4820 3.4820 3.5987 3.5987 4.2900 4.2900 5.8163 5.8163 7.1845 7.1845 7.4047 7.4047 8.0912 8.0912 k = 0.5000 0.2887 0.0775 ( 15262 PWs) bands (ev): -40.6751 -40.6751 -40.6704 -40.6704 -40.4975 -40.4975 -40.4968 -40.4968 -2.7036 -2.7036 -2.5489 -2.5489 -2.0221 -2.0221 -2.0213 -2.0213 -1.9002 -1.9002 -1.7712 -1.7712 -1.6829 -1.6829 -1.6617 -1.6617 -1.6298 -1.6298 -1.5405 -1.5405 -1.2568 -1.2568 -1.1506 -1.1506 0.4565 0.4565 1.0343 1.0343 2.8527 2.8527 3.4680 3.4680 3.5632 3.5632 4.3145 4.3145 5.9066 5.9066 7.1996 7.1996 7.5048 7.5048 8.0704 8.0704 k = 0.5000 0.2887 0.0646 ( 15264 PWs) bands (ev): -40.6751 -40.6751 -40.6704 -40.6704 -40.4975 -40.4975 -40.4968 -40.4968 -2.7057 -2.7057 -2.5471 -2.5471 -2.0221 -2.0221 -2.0213 -2.0213 -1.9003 -1.9003 -1.7709 -1.7709 -1.6828 -1.6828 -1.6617 -1.6617 -1.6298 -1.6298 -1.5404 -1.5404 -1.2581 -1.2581 -1.1481 -1.1481 0.4549 0.4549 1.0470 1.0470 2.8282 2.8282 3.4561 3.4561 3.5312 3.5312 4.3359 4.3359 5.9921 5.9921 7.2157 7.2157 7.5877 7.5877 8.0498 8.0498 k = 0.5000 0.2887 0.0516 ( 15278 PWs) bands (ev): -40.6751 -40.6751 -40.6704 -40.6704 -40.4975 -40.4975 -40.4968 -40.4968 -2.7075 -2.7075 -2.5456 -2.5456 -2.0221 -2.0221 -2.0213 -2.0213 -1.9004 -1.9004 -1.7706 -1.7706 -1.6828 -1.6828 -1.6617 -1.6617 -1.6298 -1.6298 -1.5403 -1.5403 -1.2592 -1.2592 -1.1461 -1.1461 0.4538 0.4538 1.0577 1.0577 2.8082 2.8082 3.4464 3.4464 3.5035 3.5035 4.3538 4.3538 6.0699 6.0699 7.2348 7.2348 7.6361 7.6361 8.0435 8.0435 k = 0.5000 0.2887 0.0387 ( 15254 PWs) bands (ev): -40.6751 -40.6751 -40.6704 -40.6704 -40.4975 -40.4975 -40.4968 -40.4968 -2.7090 -2.7090 -2.5444 -2.5444 -2.0220 -2.0220 -2.0214 -2.0214 -1.9005 -1.9005 -1.7703 -1.7703 -1.6827 -1.6827 -1.6618 -1.6618 -1.6298 -1.6298 -1.5402 -1.5402 -1.2600 -1.2600 -1.1445 -1.1445 0.4529 0.4529 1.0662 1.0662 2.7929 2.7929 3.4388 3.4388 3.4810 3.4810 4.3681 4.3681 6.1362 6.1362 7.2574 7.2574 7.6402 7.6402 8.0607 8.0607 k = 0.5000 0.2887 0.0258 ( 15260 PWs) bands (ev): -40.6751 -40.6751 -40.6704 -40.6704 -40.4975 -40.4975 -40.4968 -40.4968 -2.7100 -2.7100 -2.5435 -2.5435 -2.0220 -2.0220 -2.0214 -2.0214 -1.9006 -1.9006 -1.7701 -1.7701 -1.6827 -1.6827 -1.6618 -1.6618 -1.6298 -1.6298 -1.5402 -1.5402 -1.2606 -1.2606 -1.1433 -1.1433 0.4524 0.4524 1.0724 1.0724 2.7820 2.7820 3.4333 3.4333 3.4644 3.4644 4.3785 4.3785 6.1872 6.1872 7.2823 7.2823 7.6140 7.6140 8.0895 8.0895 k = 0.5000 0.2887 0.0129 ( 15250 PWs) bands (ev): -40.6751 -40.6751 -40.6704 -40.6704 -40.4975 -40.4975 -40.4968 -40.4968 -2.7106 -2.7106 -2.5430 -2.5430 -2.0220 -2.0220 -2.0214 -2.0214 -1.9006 -1.9006 -1.7700 -1.7700 -1.6827 -1.6827 -1.6618 -1.6618 -1.6298 -1.6298 -1.5401 -1.5401 -1.2610 -1.2610 -1.1426 -1.1426 0.4521 0.4521 1.0761 1.0761 2.7755 2.7755 3.4301 3.4301 3.4542 3.4542 4.3848 4.3848 6.2196 6.2196 7.3046 7.3046 7.5825 7.5825 8.1117 8.1117 k = 0.5000 0.2887-0.0000 ( 15246 PWs) bands (ev): -40.6751 -40.6751 -40.6704 -40.6704 -40.4975 -40.4975 -40.4968 -40.4968 -2.7108 -2.7108 -2.5429 -2.5429 -2.0220 -2.0220 -2.0214 -2.0214 -1.9006 -1.9006 -1.7700 -1.7700 -1.6826 -1.6826 -1.6618 -1.6618 -1.6298 -1.6298 -1.5401 -1.5401 -1.2611 -1.2611 -1.1424 -1.1424 0.4520 0.4520 1.0774 1.0774 2.7734 2.7734 3.4290 3.4290 3.4508 3.4508 4.3869 4.3869 6.2307 6.2307 7.3143 7.3143 7.5685 7.5685 8.1196 8.1196 k = 0.3333 0.5774-0.0000 ( 15309 PWs) bands (ev): -40.6723 -40.6723 -40.6723 -40.6723 -40.4979 -40.4979 -40.4971 -40.4971 -2.5574 -2.5574 -2.5319 -2.5319 -2.0389 -2.0389 -1.9663 -1.9663 -1.9120 -1.9120 -1.7978 -1.7978 -1.6613 -1.6613 -1.6558 -1.6558 -1.6194 -1.6194 -1.5546 -1.5546 -1.0529 -1.0529 -0.9991 -0.9991 0.6758 0.6758 0.6862 0.6862 2.1005 2.1005 3.4587 3.4587 3.4634 3.4634 3.4756 3.4756 5.1988 5.1988 7.6987 7.6987 7.7053 7.7053 9.3512 9.3512 k = 0.3333 0.5774 0.0129 ( 15309 PWs) bands (ev): -40.6723 -40.6723 -40.6723 -40.6723 -40.4979 -40.4979 -40.4971 -40.4971 -2.5574 -2.5574 -2.5319 -2.5319 -2.0389 -2.0389 -1.9663 -1.9663 -1.9120 -1.9120 -1.7978 -1.7978 -1.6613 -1.6613 -1.6558 -1.6558 -1.6194 -1.6194 -1.5546 -1.5546 -1.0527 -1.0527 -0.9991 -0.9991 0.6751 0.6751 0.6856 0.6856 2.1018 2.1018 3.4560 3.4560 3.4659 3.4659 3.4763 3.4763 5.2053 5.2053 7.6847 7.6847 7.6913 7.6913 9.3669 9.3669 k = 0.3333 0.5774 0.0258 ( 15294 PWs) bands (ev): -40.6723 -40.6723 -40.6723 -40.6723 -40.4979 -40.4979 -40.4971 -40.4971 -2.5574 -2.5574 -2.5319 -2.5319 -2.0389 -2.0389 -1.9663 -1.9663 -1.9120 -1.9120 -1.7978 -1.7978 -1.6614 -1.6614 -1.6558 -1.6558 -1.6194 -1.6194 -1.5546 -1.5546 -1.0524 -1.0524 -0.9988 -0.9988 0.6731 0.6731 0.6836 0.6836 2.1054 2.1054 3.4447 3.4447 3.4732 3.4732 3.4815 3.4815 5.2247 5.2247 7.6445 7.6445 7.6510 7.6510 9.4125 9.4126 k = 0.3333 0.5774 0.0387 ( 15297 PWs) bands (ev): -40.6723 -40.6723 -40.6723 -40.6723 -40.4979 -40.4979 -40.4971 -40.4971 -2.5574 -2.5574 -2.5319 -2.5319 -2.0388 -2.0388 -1.9663 -1.9663 -1.9119 -1.9119 -1.7978 -1.7978 -1.6614 -1.6614 -1.6558 -1.6558 -1.6194 -1.6194 -1.5546 -1.5546 -1.0519 -1.0519 -0.9983 -0.9983 0.6699 0.6699 0.6804 0.6804 2.1115 2.1115 3.4241 3.4241 3.4853 3.4853 3.4927 3.4927 5.2564 5.2564 7.5823 7.5823 7.5886 7.5886 9.4835 9.4836 k = 0.3333 0.5774 0.0516 ( 15303 PWs) bands (ev): -40.6723 -40.6723 -40.6723 -40.6723 -40.4979 -40.4979 -40.4971 -40.4971 -2.5573 -2.5573 -2.5319 -2.5319 -2.0388 -2.0388 -1.9663 -1.9663 -1.9119 -1.9119 -1.7979 -1.7979 -1.6615 -1.6615 -1.6558 -1.6558 -1.6194 -1.6194 -1.5546 -1.5546 -1.0512 -1.0512 -0.9977 -0.9977 0.6656 0.6656 0.6760 0.6760 2.1199 2.1199 3.3956 3.3956 3.5019 3.5019 3.5090 3.5090 5.2993 5.2993 7.5033 7.5033 7.5096 7.5096 9.4544 9.4544 k = 0.3333 0.5774 0.0646 ( 15303 PWs) bands (ev): -40.6723 -40.6723 -40.6723 -40.6723 -40.4979 -40.4979 -40.4971 -40.4971 -2.5573 -2.5573 -2.5319 -2.5319 -2.0387 -2.0387 -1.9663 -1.9663 -1.9118 -1.9118 -1.7979 -1.7979 -1.6616 -1.6616 -1.6558 -1.6558 -1.6193 -1.6193 -1.5546 -1.5546 -1.0503 -1.0503 -0.9970 -0.9970 0.6602 0.6602 0.6705 0.6705 2.1307 2.1307 3.3607 3.3607 3.5228 3.5228 3.5298 3.5298 5.3524 5.3524 7.4127 7.4127 7.4188 7.4188 9.3107 9.3107 k = 0.3333 0.5774 0.0775 ( 15303 PWs) bands (ev): -40.6723 -40.6723 -40.6723 -40.6723 -40.4979 -40.4979 -40.4971 -40.4971 -2.5573 -2.5573 -2.5319 -2.5319 -2.0386 -2.0386 -1.9663 -1.9663 -1.9118 -1.9118 -1.7980 -1.7980 -1.6618 -1.6618 -1.6559 -1.6559 -1.6193 -1.6193 -1.5546 -1.5546 -1.0493 -1.0493 -0.9961 -0.9961 0.6539 0.6539 0.6642 0.6642 2.1439 2.1439 3.3206 3.3206 3.5477 3.5477 3.5546 3.5546 5.4145 5.4145 7.3146 7.3146 7.3206 7.3206 9.1632 9.1632 k = 0.3333 0.5774 0.0904 ( 15303 PWs) bands (ev): -40.6723 -40.6723 -40.6723 -40.6723 -40.4979 -40.4979 -40.4971 -40.4971 -2.5572 -2.5572 -2.5319 -2.5319 -2.0385 -2.0385 -1.9664 -1.9664 -1.9117 -1.9117 -1.7980 -1.7980 -1.6619 -1.6619 -1.6559 -1.6559 -1.6193 -1.6193 -1.5546 -1.5546 -1.0482 -1.0482 -0.9951 -0.9951 0.6470 0.6470 0.6572 0.6572 2.1594 2.1594 3.2764 3.2764 3.5762 3.5762 3.5831 3.5831 5.4844 5.4844 7.2124 7.2124 7.2182 7.2182 9.0145 9.0145 k = 0.3333 0.5774 0.1033 ( 15303 PWs) bands (ev): -40.6723 -40.6723 -40.6723 -40.6723 -40.4979 -40.4979 -40.4971 -40.4971 -2.5572 -2.5572 -2.5319 -2.5319 -2.0385 -2.0385 -1.9664 -1.9664 -1.9116 -1.9116 -1.7981 -1.7981 -1.6621 -1.6621 -1.6559 -1.6559 -1.6192 -1.6192 -1.5546 -1.5546 -1.0469 -1.0469 -0.9940 -0.9940 0.6395 0.6395 0.6496 0.6496 2.1772 2.1772 3.2291 3.2291 3.6076 3.6076 3.6146 3.6146 5.5611 5.5611 7.1087 7.1087 7.1144 7.1144 8.8658 8.8658 k = 0.3333 0.5774 0.1162 ( 15297 PWs) bands (ev): -40.6723 -40.6723 -40.6723 -40.6723 -40.4979 -40.4979 -40.4971 -40.4971 -2.5572 -2.5572 -2.5319 -2.5319 -2.0384 -2.0384 -1.9664 -1.9664 -1.9115 -1.9115 -1.7982 -1.7982 -1.6623 -1.6623 -1.6560 -1.6560 -1.6192 -1.6192 -1.5546 -1.5546 -1.0456 -1.0456 -0.9928 -0.9928 0.6316 0.6316 0.6418 0.6418 2.1971 2.1971 3.1797 3.1797 3.6416 3.6416 3.6486 3.6486 5.6434 5.6434 7.0056 7.0056 7.0113 7.0113 8.7182 8.7182 k = 0.3333 0.5774 0.1291 ( 15303 PWs) bands (ev): -40.6723 -40.6723 -40.6723 -40.6723 -40.4979 -40.4979 -40.4971 -40.4971 -2.5571 -2.5571 -2.5319 -2.5319 -2.0383 -2.0383 -1.9664 -1.9664 -1.9114 -1.9114 -1.7982 -1.7982 -1.6624 -1.6624 -1.6560 -1.6560 -1.6191 -1.6191 -1.5546 -1.5546 -1.0442 -1.0442 -0.9917 -0.9917 0.6237 0.6237 0.6337 0.6337 2.2192 2.2192 3.1290 3.1290 3.6773 3.6773 3.6844 3.6844 5.7304 5.7304 6.9049 6.9049 6.9105 6.9105 8.5725 8.5725 k = 0.3333 0.5774 0.1420 ( 15318 PWs) bands (ev): -40.6723 -40.6723 -40.6723 -40.6723 -40.4979 -40.4979 -40.4971 -40.4971 -2.5571 -2.5571 -2.5319 -2.5319 -2.0382 -2.0382 -1.9664 -1.9664 -1.9114 -1.9114 -1.7983 -1.7983 -1.6626 -1.6626 -1.6560 -1.6560 -1.6191 -1.6191 -1.5547 -1.5547 -1.0428 -1.0428 -0.9905 -0.9905 0.6158 0.6158 0.6258 0.6258 2.2432 2.2432 3.0776 3.0776 3.7141 3.7141 3.7213 3.7213 5.8211 5.8211 6.8081 6.8081 6.8136 6.8136 8.4294 8.4294 k = 0.3333 0.5774 0.1549 ( 15300 PWs) bands (ev): -40.6723 -40.6723 -40.6723 -40.6723 -40.4979 -40.4979 -40.4971 -40.4971 -2.5571 -2.5571 -2.5319 -2.5319 -2.0381 -2.0381 -1.9665 -1.9665 -1.9113 -1.9113 -1.7984 -1.7984 -1.6628 -1.6628 -1.6560 -1.6560 -1.6190 -1.6190 -1.5547 -1.5547 -1.0415 -1.0415 -0.9893 -0.9893 0.6081 0.6081 0.6181 0.6181 2.2692 2.2692 3.0262 3.0262 3.7512 3.7512 3.7584 3.7584 5.9144 5.9144 6.7165 6.7165 6.7219 6.7219 8.2897 8.2897 k = 0.3333 0.5774 0.1679 ( 15297 PWs) bands (ev): -40.6723 -40.6723 -40.6723 -40.6723 -40.4979 -40.4979 -40.4971 -40.4971 -2.5570 -2.5570 -2.5319 -2.5319 -2.0380 -2.0380 -1.9665 -1.9665 -1.9112 -1.9112 -1.7985 -1.7985 -1.6630 -1.6630 -1.6561 -1.6561 -1.6190 -1.6190 -1.5547 -1.5547 -1.0402 -1.0402 -0.9882 -0.9882 0.6009 0.6009 0.6108 0.6108 2.2967 2.2967 2.9754 2.9754 3.7875 3.7875 3.7949 3.7949 6.0091 6.0091 6.6315 6.6315 6.6368 6.6368 8.1545 8.1545 k = 0.3333 0.5774 0.1808 ( 15297 PWs) bands (ev): -40.6723 -40.6723 -40.6723 -40.6723 -40.4979 -40.4979 -40.4971 -40.4971 -2.5570 -2.5570 -2.5319 -2.5319 -2.0379 -2.0379 -1.9665 -1.9665 -1.9111 -1.9111 -1.7985 -1.7985 -1.6631 -1.6631 -1.6561 -1.6561 -1.6189 -1.6189 -1.5547 -1.5547 -1.0390 -1.0390 -0.9871 -0.9871 0.5943 0.5943 0.6042 0.6042 2.3256 2.3256 2.9257 2.9257 3.8222 3.8222 3.8296 3.8296 6.1039 6.1039 6.5543 6.5543 6.5595 6.5595 8.0249 8.0249 k = 0.3333 0.5774 0.1937 ( 15282 PWs) bands (ev): -40.6723 -40.6723 -40.6723 -40.6723 -40.4979 -40.4979 -40.4971 -40.4971 -2.5570 -2.5570 -2.5319 -2.5319 -2.0378 -2.0378 -1.9665 -1.9665 -1.9111 -1.9111 -1.7986 -1.7986 -1.6633 -1.6633 -1.6561 -1.6561 -1.6189 -1.6189 -1.5547 -1.5547 -1.0380 -1.0380 -0.9862 -0.9862 0.5885 0.5885 0.5983 0.5983 2.3554 2.3554 2.8781 2.8781 3.8541 3.8541 3.8616 3.8616 6.1966 6.1966 6.4862 6.4862 6.4913 6.4913 7.9029 7.9029 k = 0.3333 0.5774 0.2066 ( 15270 PWs) bands (ev): -40.6723 -40.6723 -40.6723 -40.6723 -40.4979 -40.4979 -40.4971 -40.4971 -2.5569 -2.5569 -2.5319 -2.5319 -2.0377 -2.0377 -1.9665 -1.9665 -1.9110 -1.9110 -1.7986 -1.7986 -1.6634 -1.6634 -1.6561 -1.6561 -1.6189 -1.6189 -1.5547 -1.5547 -1.0370 -1.0370 -0.9854 -0.9854 0.5835 0.5835 0.5932 0.5932 2.3852 2.3852 2.8333 2.8333 3.8822 3.8822 3.8898 3.8898 6.2846 6.2846 6.4283 6.4283 6.4334 6.4334 7.7911 7.7911 k = 0.3333 0.5774 0.2195 ( 15276 PWs) bands (ev): -40.6723 -40.6723 -40.6723 -40.6723 -40.4979 -40.4979 -40.4971 -40.4971 -2.5569 -2.5569 -2.5319 -2.5319 -2.0377 -2.0377 -1.9665 -1.9665 -1.9110 -1.9110 -1.7987 -1.7987 -1.6635 -1.6635 -1.6561 -1.6561 -1.6188 -1.6188 -1.5547 -1.5547 -1.0363 -1.0363 -0.9848 -0.9848 0.5795 0.5795 0.5892 0.5892 2.4139 2.4139 2.7929 2.7929 3.9054 3.9054 3.9130 3.9130 6.3631 6.3631 6.3819 6.3819 6.3880 6.3880 7.6932 7.6932 k = 0.3333 0.5774 0.2324 ( 15276 PWs) bands (ev): -40.6723 -40.6723 -40.6723 -40.6723 -40.4979 -40.4979 -40.4971 -40.4971 -2.5569 -2.5569 -2.5319 -2.5319 -2.0376 -2.0376 -1.9666 -1.9666 -1.9109 -1.9109 -1.7987 -1.7987 -1.6635 -1.6635 -1.6561 -1.6561 -1.6188 -1.6188 -1.5547 -1.5547 -1.0358 -1.0358 -0.9843 -0.9843 0.5766 0.5766 0.5863 0.5863 2.4391 2.4391 2.7592 2.7592 3.9228 3.9228 3.9304 3.9304 6.3479 6.3479 6.3523 6.3523 6.4298 6.4298 7.6150 7.6150 k = 0.3333 0.5774 0.2453 ( 15291 PWs) bands (ev): -40.6723 -40.6723 -40.6723 -40.6723 -40.4979 -40.4979 -40.4971 -40.4971 -2.5569 -2.5569 -2.5319 -2.5319 -2.0376 -2.0376 -1.9666 -1.9666 -1.9109 -1.9109 -1.7987 -1.7987 -1.6636 -1.6636 -1.6561 -1.6561 -1.6188 -1.6188 -1.5547 -1.5547 -1.0354 -1.0354 -0.9840 -0.9840 0.5749 0.5749 0.5845 0.5845 2.4574 2.4574 2.7359 2.7359 3.9335 3.9335 3.9412 3.9412 6.3272 6.3272 6.3317 6.3317 6.4733 6.4733 7.5635 7.5635 k = 0.3333 0.5774 0.2582 ( 15306 PWs) bands (ev): -40.6723 -40.6723 -40.6723 -40.6723 -40.4979 -40.4979 -40.4971 -40.4971 -2.5569 -2.5569 -2.5319 -2.5319 -2.0376 -2.0376 -1.9666 -1.9666 -1.9109 -1.9109 -1.7987 -1.7987 -1.6636 -1.6636 -1.6561 -1.6561 -1.6188 -1.6188 -1.5547 -1.5547 -1.0353 -1.0353 -0.9839 -0.9839 0.5743 0.5743 0.5839 0.5839 2.4642 2.4642 2.7273 2.7273 3.9372 3.9372 3.9449 3.9449 6.3202 6.3202 6.3248 6.3248 6.4889 6.4889 7.5453 7.5453 Writing output data file Li2ZnSi.save init_run : 0.68s CPU 0.86s WALL ( 1 calls) electrons : 318.17s CPU 321.26s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 318.16s CPU 321.24s 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 : 0.10s CPU 0.16s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.16s CPU 0.30s WALL ( 305 calls) cegterg : 274.02s CPU 276.02s WALL ( 351 calls) Called by sum_band: Called by *egterg: h_psi : 196.15s CPU 197.65s WALL ( 6301 calls) s_psi : 16.60s CPU 16.73s WALL ( 6301 calls) g_psi : 0.70s CPU 0.75s WALL ( 5645 calls) cdiaghg : 48.32s CPU 48.75s WALL ( 5950 calls) cegterg:over : 16.33s CPU 16.42s WALL ( 5645 calls) cegterg:upda : 16.92s CPU 17.05s WALL ( 5645 calls) cegterg:last : 7.30s CPU 7.32s WALL ( 972 calls) cdiaghg:chol : 2.70s CPU 2.82s WALL ( 5950 calls) cdiaghg:inve : 2.06s CPU 1.92s WALL ( 5950 calls) cdiaghg:para : 3.08s CPU 2.97s WALL ( 11900 calls) Called by h_psi: h_psi:vloc : 169.05s CPU 170.41s WALL ( 6301 calls) h_psi:vnl : 26.30s CPU 26.39s WALL ( 6301 calls) add_vuspsi : 13.59s CPU 13.47s WALL ( 6301 calls) General routines calbec : 12.68s CPU 12.90s WALL ( 6301 calls) fft : 0.01s CPU 0.01s WALL ( 15 calls) fftw : 160.43s CPU 161.78s WALL ( 726208 calls) davcio : 0.31s CPU 0.66s WALL ( 610 calls) Parallel routines fft_scatter : 47.92s CPU 48.90s WALL ( 726223 calls) PWSCF : 5m54.68s CPU 6m11.62s WALL This run was terminated on: 20:23:21 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=