Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14: 5: 2 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: ./BaxMgSbx2.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P 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 60 37 10 3832 1817 276 Max 61 38 11 3839 1847 283 Sum 2161 1333 379 138011 65943 9993 bravais-lattice index = 14 lattice parameter (alat) = 9.0140 a.u. unit-cell volume = 1077.0824 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.013993 celldm(2)= 1.000000 celldm(3)= 1.698113 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 1.698113 ) 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 0.588889 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 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 Mg read from file: /users/gautes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) Sb 5.00 121.76000 Sb( 1.00) Mg 10.00 24.30500 Mg( 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= 279 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 2) = ( 0.0128205 0.0074019 -0.0000000), wk = 0.0035842 k( 3) = ( 0.0256410 0.0148039 -0.0000000), wk = 0.0035842 k( 4) = ( 0.0384615 0.0222058 -0.0000000), wk = 0.0035842 k( 5) = ( 0.0512821 0.0296077 -0.0000000), wk = 0.0035842 k( 6) = ( 0.0641026 0.0370096 -0.0000000), wk = 0.0035842 k( 7) = ( 0.0769231 0.0444116 -0.0000000), wk = 0.0035842 k( 8) = ( 0.0897436 0.0518135 -0.0000000), wk = 0.0035842 k( 9) = ( 0.1025641 0.0592154 -0.0000000), wk = 0.0035842 k( 10) = ( 0.1153846 0.0666173 -0.0000000), wk = 0.0035842 k( 11) = ( 0.1282051 0.0740193 -0.0000000), wk = 0.0035842 k( 12) = ( 0.1410256 0.0814212 -0.0000000), wk = 0.0035842 k( 13) = ( 0.1538461 0.0888231 -0.0000000), wk = 0.0035842 k( 14) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0035842 k( 15) = ( 0.1794872 0.1036270 -0.0000000), wk = 0.0035842 k( 16) = ( 0.1923077 0.1110289 -0.0000000), wk = 0.0035842 k( 17) = ( 0.2051282 0.1184308 -0.0000000), wk = 0.0035842 k( 18) = ( 0.2179487 0.1258328 -0.0000000), wk = 0.0035842 k( 19) = ( 0.2307692 0.1332347 -0.0000000), wk = 0.0035842 k( 20) = ( 0.2435897 0.1406366 -0.0000000), wk = 0.0035842 k( 21) = ( 0.2564103 0.1480385 -0.0000000), wk = 0.0035842 k( 22) = ( 0.2692308 0.1554405 -0.0000000), wk = 0.0035842 k( 23) = ( 0.2820513 0.1628424 -0.0000000), wk = 0.0035842 k( 24) = ( 0.2948718 0.1702443 -0.0000000), wk = 0.0035842 k( 25) = ( 0.3076923 0.1776462 -0.0000000), wk = 0.0035842 k( 26) = ( 0.3205128 0.1850482 -0.0000000), wk = 0.0035842 k( 27) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0035842 k( 28) = ( 0.3461538 0.1998520 -0.0000000), wk = 0.0035842 k( 29) = ( 0.3589744 0.2072539 -0.0000000), wk = 0.0035842 k( 30) = ( 0.3717949 0.2146559 -0.0000000), wk = 0.0035842 k( 31) = ( 0.3846154 0.2220578 -0.0000000), wk = 0.0035842 k( 32) = ( 0.3974359 0.2294597 -0.0000000), wk = 0.0035842 k( 33) = ( 0.4102564 0.2368616 -0.0000000), wk = 0.0035842 k( 34) = ( 0.4230769 0.2442636 -0.0000000), wk = 0.0035842 k( 35) = ( 0.4358974 0.2516655 -0.0000000), wk = 0.0035842 k( 36) = ( 0.4487179 0.2590674 -0.0000000), wk = 0.0035842 k( 37) = ( 0.4615385 0.2664694 -0.0000000), wk = 0.0035842 k( 38) = ( 0.4743590 0.2738713 -0.0000000), wk = 0.0035842 k( 39) = ( 0.4871795 0.2812732 -0.0000000), wk = 0.0035842 k( 40) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0035842 k( 41) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0035842 k( 42) = ( 0.4924242 0.3017967 -0.0000000), wk = 0.0035842 k( 43) = ( 0.4848485 0.3149183 -0.0000000), wk = 0.0035842 k( 44) = ( 0.4772727 0.3280399 -0.0000000), wk = 0.0035842 k( 45) = ( 0.4696970 0.3411615 -0.0000000), wk = 0.0035842 k( 46) = ( 0.4621212 0.3542831 -0.0000000), wk = 0.0035842 k( 47) = ( 0.4545455 0.3674047 -0.0000000), wk = 0.0035842 k( 48) = ( 0.4469697 0.3805263 -0.0000000), wk = 0.0035842 k( 49) = ( 0.4393939 0.3936479 -0.0000000), wk = 0.0035842 k( 50) = ( 0.4318182 0.4067695 -0.0000000), wk = 0.0035842 k( 51) = ( 0.4242424 0.4198911 -0.0000000), wk = 0.0035842 k( 52) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0035842 k( 53) = ( 0.4090909 0.4461343 -0.0000000), wk = 0.0035842 k( 54) = ( 0.4015151 0.4592559 -0.0000000), wk = 0.0035842 k( 55) = ( 0.3939394 0.4723775 -0.0000000), wk = 0.0035842 k( 56) = ( 0.3863636 0.4854991 -0.0000000), wk = 0.0035842 k( 57) = ( 0.3787879 0.4986207 -0.0000000), wk = 0.0035842 k( 58) = ( 0.3712121 0.5117423 -0.0000000), wk = 0.0035842 k( 59) = ( 0.3636364 0.5248639 -0.0000000), wk = 0.0035842 k( 60) = ( 0.3560606 0.5379855 -0.0000000), wk = 0.0035842 k( 61) = ( 0.3484849 0.5511071 -0.0000000), wk = 0.0035842 k( 62) = ( 0.3409091 0.5642287 -0.0000000), wk = 0.0035842 k( 63) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0035842 k( 64) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0035842 k( 65) = ( 0.3257576 0.5642287 -0.0000000), wk = 0.0035842 k( 66) = ( 0.3181818 0.5511071 -0.0000000), wk = 0.0035842 k( 67) = ( 0.3106061 0.5379855 -0.0000000), wk = 0.0035842 k( 68) = ( 0.3030303 0.5248639 -0.0000000), wk = 0.0035842 k( 69) = ( 0.2954545 0.5117423 -0.0000000), wk = 0.0035842 k( 70) = ( 0.2878788 0.4986207 -0.0000000), wk = 0.0035842 k( 71) = ( 0.2803030 0.4854991 -0.0000000), wk = 0.0035842 k( 72) = ( 0.2727273 0.4723775 -0.0000000), wk = 0.0035842 k( 73) = ( 0.2651515 0.4592559 -0.0000000), wk = 0.0035842 k( 74) = ( 0.2575758 0.4461343 -0.0000000), wk = 0.0035842 k( 75) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0035842 k( 76) = ( 0.2424242 0.4198911 -0.0000000), wk = 0.0035842 k( 77) = ( 0.2348485 0.4067695 -0.0000000), wk = 0.0035842 k( 78) = ( 0.2272727 0.3936479 -0.0000000), wk = 0.0035842 k( 79) = ( 0.2196970 0.3805263 -0.0000000), wk = 0.0035842 k( 80) = ( 0.2121212 0.3674047 -0.0000000), wk = 0.0035842 k( 81) = ( 0.2045454 0.3542831 -0.0000000), wk = 0.0035842 k( 82) = ( 0.1969697 0.3411615 -0.0000000), wk = 0.0035842 k( 83) = ( 0.1893939 0.3280399 -0.0000000), wk = 0.0035842 k( 84) = ( 0.1818182 0.3149183 -0.0000000), wk = 0.0035842 k( 85) = ( 0.1742424 0.3017967 -0.0000000), wk = 0.0035842 k( 86) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0035842 k( 87) = ( 0.1590909 0.2755535 -0.0000000), wk = 0.0035842 k( 88) = ( 0.1515151 0.2624319 -0.0000000), wk = 0.0035842 k( 89) = ( 0.1439394 0.2493103 -0.0000000), wk = 0.0035842 k( 90) = ( 0.1363636 0.2361888 -0.0000000), wk = 0.0035842 k( 91) = ( 0.1287879 0.2230672 -0.0000000), wk = 0.0035842 k( 92) = ( 0.1212121 0.2099456 -0.0000000), wk = 0.0035842 k( 93) = ( 0.1136364 0.1968239 -0.0000000), wk = 0.0035842 k( 94) = ( 0.1060606 0.1837024 -0.0000000), wk = 0.0035842 k( 95) = ( 0.0984848 0.1705808 -0.0000000), wk = 0.0035842 k( 96) = ( 0.0909091 0.1574592 -0.0000000), wk = 0.0035842 k( 97) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0035842 k( 98) = ( 0.0757576 0.1312160 -0.0000000), wk = 0.0035842 k( 99) = ( 0.0681818 0.1180944 -0.0000000), wk = 0.0035842 k( 100) = ( 0.0606061 0.1049728 -0.0000000), wk = 0.0035842 k( 101) = ( 0.0530303 0.0918512 -0.0000000), wk = 0.0035842 k( 102) = ( 0.0454546 0.0787296 -0.0000000), wk = 0.0035842 k( 103) = ( 0.0378788 0.0656080 -0.0000000), wk = 0.0035842 k( 104) = ( 0.0303030 0.0524864 -0.0000000), wk = 0.0035842 k( 105) = ( 0.0227273 0.0393648 -0.0000000), wk = 0.0035842 k( 106) = ( 0.0151515 0.0262432 -0.0000000), wk = 0.0035842 k( 107) = ( 0.0075758 0.0131216 -0.0000000), wk = 0.0035842 k( 108) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 109) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 110) = ( 0.0000000 0.0000000 0.0147222), wk = 0.0035842 k( 111) = ( 0.0000000 0.0000000 0.0294444), wk = 0.0035842 k( 112) = ( 0.0000000 0.0000000 0.0441667), wk = 0.0035842 k( 113) = ( 0.0000000 0.0000000 0.0588889), wk = 0.0035842 k( 114) = ( 0.0000000 0.0000000 0.0736111), wk = 0.0035842 k( 115) = ( 0.0000000 0.0000000 0.0883333), wk = 0.0035842 k( 116) = ( 0.0000000 0.0000000 0.1030556), wk = 0.0035842 k( 117) = ( 0.0000000 0.0000000 0.1177778), wk = 0.0035842 k( 118) = ( 0.0000000 0.0000000 0.1325000), wk = 0.0035842 k( 119) = ( 0.0000000 0.0000000 0.1472222), wk = 0.0035842 k( 120) = ( 0.0000000 0.0000000 0.1619444), wk = 0.0035842 k( 121) = ( 0.0000000 0.0000000 0.1766667), wk = 0.0035842 k( 122) = ( 0.0000000 0.0000000 0.1913889), wk = 0.0035842 k( 123) = ( 0.0000000 0.0000000 0.2061111), wk = 0.0035842 k( 124) = ( 0.0000000 0.0000000 0.2208333), wk = 0.0035842 k( 125) = ( 0.0000000 0.0000000 0.2355556), wk = 0.0035842 k( 126) = ( 0.0000000 0.0000000 0.2502778), wk = 0.0035842 k( 127) = ( 0.0000000 0.0000000 0.2650000), wk = 0.0035842 k( 128) = ( 0.0000000 0.0000000 0.2797222), wk = 0.0035842 k( 129) = ( 0.0000000 0.0000000 0.2944444), wk = 0.0035842 k( 130) = ( 0.0000000 0.0000000 0.2944444), wk = 0.0035842 k( 131) = ( 0.0128205 0.0074019 0.2944444), wk = 0.0035842 k( 132) = ( 0.0256410 0.0148039 0.2944444), wk = 0.0035842 k( 133) = ( 0.0384615 0.0222058 0.2944444), wk = 0.0035842 k( 134) = ( 0.0512821 0.0296077 0.2944444), wk = 0.0035842 k( 135) = ( 0.0641026 0.0370096 0.2944444), wk = 0.0035842 k( 136) = ( 0.0769231 0.0444116 0.2944444), wk = 0.0035842 k( 137) = ( 0.0897436 0.0518135 0.2944444), wk = 0.0035842 k( 138) = ( 0.1025641 0.0592154 0.2944444), wk = 0.0035842 k( 139) = ( 0.1153846 0.0666173 0.2944444), wk = 0.0035842 k( 140) = ( 0.1282051 0.0740193 0.2944444), wk = 0.0035842 k( 141) = ( 0.1410256 0.0814212 0.2944444), wk = 0.0035842 k( 142) = ( 0.1538461 0.0888231 0.2944444), wk = 0.0035842 k( 143) = ( 0.1666667 0.0962250 0.2944444), wk = 0.0035842 k( 144) = ( 0.1794872 0.1036270 0.2944444), wk = 0.0035842 k( 145) = ( 0.1923077 0.1110289 0.2944444), wk = 0.0035842 k( 146) = ( 0.2051282 0.1184308 0.2944444), wk = 0.0035842 k( 147) = ( 0.2179487 0.1258328 0.2944444), wk = 0.0035842 k( 148) = ( 0.2307692 0.1332347 0.2944444), wk = 0.0035842 k( 149) = ( 0.2435897 0.1406366 0.2944444), wk = 0.0035842 k( 150) = ( 0.2564103 0.1480385 0.2944444), wk = 0.0035842 k( 151) = ( 0.2692308 0.1554405 0.2944444), wk = 0.0035842 k( 152) = ( 0.2820513 0.1628424 0.2944444), wk = 0.0035842 k( 153) = ( 0.2948718 0.1702443 0.2944444), wk = 0.0035842 k( 154) = ( 0.3076923 0.1776462 0.2944444), wk = 0.0035842 k( 155) = ( 0.3205128 0.1850482 0.2944444), wk = 0.0035842 k( 156) = ( 0.3333333 0.1924501 0.2944444), wk = 0.0035842 k( 157) = ( 0.3461538 0.1998520 0.2944444), wk = 0.0035842 k( 158) = ( 0.3589744 0.2072539 0.2944444), wk = 0.0035842 k( 159) = ( 0.3717949 0.2146559 0.2944444), wk = 0.0035842 k( 160) = ( 0.3846154 0.2220578 0.2944444), wk = 0.0035842 k( 161) = ( 0.3974359 0.2294597 0.2944444), wk = 0.0035842 k( 162) = ( 0.4102564 0.2368616 0.2944444), wk = 0.0035842 k( 163) = ( 0.4230769 0.2442636 0.2944444), wk = 0.0035842 k( 164) = ( 0.4358974 0.2516655 0.2944444), wk = 0.0035842 k( 165) = ( 0.4487179 0.2590674 0.2944444), wk = 0.0035842 k( 166) = ( 0.4615385 0.2664694 0.2944444), wk = 0.0035842 k( 167) = ( 0.4743590 0.2738713 0.2944444), wk = 0.0035842 k( 168) = ( 0.4871795 0.2812732 0.2944444), wk = 0.0035842 k( 169) = ( 0.5000000 0.2886751 0.2944444), wk = 0.0035842 k( 170) = ( 0.5000000 0.2886751 0.2944444), wk = 0.0035842 k( 171) = ( 0.4924242 0.3017967 0.2944444), wk = 0.0035842 k( 172) = ( 0.4848485 0.3149183 0.2944444), wk = 0.0035842 k( 173) = ( 0.4772727 0.3280399 0.2944444), wk = 0.0035842 k( 174) = ( 0.4696970 0.3411615 0.2944444), wk = 0.0035842 k( 175) = ( 0.4621212 0.3542831 0.2944444), wk = 0.0035842 k( 176) = ( 0.4545455 0.3674047 0.2944444), wk = 0.0035842 k( 177) = ( 0.4469697 0.3805263 0.2944444), wk = 0.0035842 k( 178) = ( 0.4393939 0.3936479 0.2944444), wk = 0.0035842 k( 179) = ( 0.4318182 0.4067695 0.2944444), wk = 0.0035842 k( 180) = ( 0.4242424 0.4198911 0.2944444), wk = 0.0035842 k( 181) = ( 0.4166667 0.4330127 0.2944444), wk = 0.0035842 k( 182) = ( 0.4090909 0.4461343 0.2944444), wk = 0.0035842 k( 183) = ( 0.4015151 0.4592559 0.2944444), wk = 0.0035842 k( 184) = ( 0.3939394 0.4723775 0.2944444), wk = 0.0035842 k( 185) = ( 0.3863636 0.4854991 0.2944444), wk = 0.0035842 k( 186) = ( 0.3787879 0.4986207 0.2944444), wk = 0.0035842 k( 187) = ( 0.3712121 0.5117423 0.2944444), wk = 0.0035842 k( 188) = ( 0.3636364 0.5248639 0.2944444), wk = 0.0035842 k( 189) = ( 0.3560606 0.5379855 0.2944444), wk = 0.0035842 k( 190) = ( 0.3484849 0.5511071 0.2944444), wk = 0.0035842 k( 191) = ( 0.3409091 0.5642287 0.2944444), wk = 0.0035842 k( 192) = ( 0.3333333 0.5773503 0.2944444), wk = 0.0035842 k( 193) = ( 0.3333333 0.5773503 0.2944444), wk = 0.0035842 k( 194) = ( 0.3257576 0.5642287 0.2944444), wk = 0.0035842 k( 195) = ( 0.3181818 0.5511071 0.2944444), wk = 0.0035842 k( 196) = ( 0.3106061 0.5379855 0.2944444), wk = 0.0035842 k( 197) = ( 0.3030303 0.5248639 0.2944444), wk = 0.0035842 k( 198) = ( 0.2954545 0.5117423 0.2944444), wk = 0.0035842 k( 199) = ( 0.2878788 0.4986207 0.2944444), wk = 0.0035842 k( 200) = ( 0.2803030 0.4854991 0.2944444), wk = 0.0035842 k( 201) = ( 0.2727273 0.4723775 0.2944444), wk = 0.0035842 k( 202) = ( 0.2651515 0.4592559 0.2944444), wk = 0.0035842 k( 203) = ( 0.2575758 0.4461343 0.2944444), wk = 0.0035842 k( 204) = ( 0.2500000 0.4330127 0.2944444), wk = 0.0035842 k( 205) = ( 0.2424242 0.4198911 0.2944444), wk = 0.0035842 k( 206) = ( 0.2348485 0.4067695 0.2944444), wk = 0.0035842 k( 207) = ( 0.2272727 0.3936479 0.2944444), wk = 0.0035842 k( 208) = ( 0.2196970 0.3805263 0.2944444), wk = 0.0035842 k( 209) = ( 0.2121212 0.3674047 0.2944444), wk = 0.0035842 k( 210) = ( 0.2045454 0.3542831 0.2944444), wk = 0.0035842 k( 211) = ( 0.1969697 0.3411615 0.2944444), wk = 0.0035842 k( 212) = ( 0.1893939 0.3280399 0.2944444), wk = 0.0035842 k( 213) = ( 0.1818182 0.3149183 0.2944444), wk = 0.0035842 k( 214) = ( 0.1742424 0.3017967 0.2944444), wk = 0.0035842 k( 215) = ( 0.1666667 0.2886751 0.2944444), wk = 0.0035842 k( 216) = ( 0.1590909 0.2755535 0.2944444), wk = 0.0035842 k( 217) = ( 0.1515151 0.2624319 0.2944444), wk = 0.0035842 k( 218) = ( 0.1439394 0.2493103 0.2944444), wk = 0.0035842 k( 219) = ( 0.1363636 0.2361888 0.2944444), wk = 0.0035842 k( 220) = ( 0.1287879 0.2230672 0.2944444), wk = 0.0035842 k( 221) = ( 0.1212121 0.2099456 0.2944444), wk = 0.0035842 k( 222) = ( 0.1136364 0.1968239 0.2944444), wk = 0.0035842 k( 223) = ( 0.1060606 0.1837024 0.2944444), wk = 0.0035842 k( 224) = ( 0.0984848 0.1705808 0.2944444), wk = 0.0035842 k( 225) = ( 0.0909091 0.1574592 0.2944444), wk = 0.0035842 k( 226) = ( 0.0833333 0.1443376 0.2944444), wk = 0.0035842 k( 227) = ( 0.0757576 0.1312160 0.2944444), wk = 0.0035842 k( 228) = ( 0.0681818 0.1180944 0.2944444), wk = 0.0035842 k( 229) = ( 0.0606061 0.1049728 0.2944444), wk = 0.0035842 k( 230) = ( 0.0530303 0.0918512 0.2944444), wk = 0.0035842 k( 231) = ( 0.0454546 0.0787296 0.2944444), wk = 0.0035842 k( 232) = ( 0.0378788 0.0656080 0.2944444), wk = 0.0035842 k( 233) = ( 0.0303030 0.0524864 0.2944444), wk = 0.0035842 k( 234) = ( 0.0227273 0.0393648 0.2944444), wk = 0.0035842 k( 235) = ( 0.0151515 0.0262432 0.2944444), wk = 0.0035842 k( 236) = ( 0.0075758 0.0131216 0.2944444), wk = 0.0035842 k( 237) = ( 0.0000000 0.0000000 0.2944444), wk = 0.0035842 k( 238) = ( 0.5000000 0.2886751 0.2944444), wk = 0.0035842 k( 239) = ( 0.5000000 0.2886751 0.2797222), wk = 0.0035842 k( 240) = ( 0.5000000 0.2886751 0.2650000), wk = 0.0035842 k( 241) = ( 0.5000000 0.2886751 0.2502778), wk = 0.0035842 k( 242) = ( 0.5000000 0.2886751 0.2355556), wk = 0.0035842 k( 243) = ( 0.5000000 0.2886751 0.2208333), wk = 0.0035842 k( 244) = ( 0.5000000 0.2886751 0.2061111), wk = 0.0035842 k( 245) = ( 0.5000000 0.2886751 0.1913889), wk = 0.0035842 k( 246) = ( 0.5000000 0.2886751 0.1766667), wk = 0.0035842 k( 247) = ( 0.5000000 0.2886751 0.1619444), wk = 0.0035842 k( 248) = ( 0.5000000 0.2886751 0.1472222), wk = 0.0035842 k( 249) = ( 0.5000000 0.2886751 0.1325000), wk = 0.0035842 k( 250) = ( 0.5000000 0.2886751 0.1177778), wk = 0.0035842 k( 251) = ( 0.5000000 0.2886751 0.1030556), wk = 0.0035842 k( 252) = ( 0.5000000 0.2886751 0.0883333), wk = 0.0035842 k( 253) = ( 0.5000000 0.2886751 0.0736111), wk = 0.0035842 k( 254) = ( 0.5000000 0.2886751 0.0588889), wk = 0.0035842 k( 255) = ( 0.5000000 0.2886751 0.0441667), wk = 0.0035842 k( 256) = ( 0.5000000 0.2886751 0.0294444), wk = 0.0035842 k( 257) = ( 0.5000000 0.2886751 0.0147222), wk = 0.0035842 k( 258) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0035842 k( 259) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0035842 k( 260) = ( 0.3333333 0.5773503 0.0147222), wk = 0.0035842 k( 261) = ( 0.3333333 0.5773503 0.0294444), wk = 0.0035842 k( 262) = ( 0.3333333 0.5773503 0.0441667), wk = 0.0035842 k( 263) = ( 0.3333333 0.5773503 0.0588889), wk = 0.0035842 k( 264) = ( 0.3333333 0.5773503 0.0736111), wk = 0.0035842 k( 265) = ( 0.3333333 0.5773503 0.0883333), wk = 0.0035842 k( 266) = ( 0.3333333 0.5773503 0.1030556), wk = 0.0035842 k( 267) = ( 0.3333333 0.5773503 0.1177778), wk = 0.0035842 k( 268) = ( 0.3333333 0.5773503 0.1325000), wk = 0.0035842 k( 269) = ( 0.3333333 0.5773503 0.1472222), wk = 0.0035842 k( 270) = ( 0.3333333 0.5773503 0.1619444), wk = 0.0035842 k( 271) = ( 0.3333333 0.5773503 0.1766667), wk = 0.0035842 k( 272) = ( 0.3333333 0.5773503 0.1913889), wk = 0.0035842 k( 273) = ( 0.3333333 0.5773503 0.2061111), wk = 0.0035842 k( 274) = ( 0.3333333 0.5773503 0.2208333), wk = 0.0035842 k( 275) = ( 0.3333333 0.5773503 0.2355556), wk = 0.0035842 k( 276) = ( 0.3333333 0.5773503 0.2502778), wk = 0.0035842 k( 277) = ( 0.3333333 0.5773503 0.2650000), wk = 0.0035842 k( 278) = ( 0.3333333 0.5773503 0.2797222), wk = 0.0035842 k( 279) = ( 0.3333333 0.5773503 0.2944444), wk = 0.0035842 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 2) = ( 0.0128205 0.0000000 0.0000000), wk = 0.0035842 k( 3) = ( 0.0256410 0.0000000 -0.0000000), wk = 0.0035842 k( 4) = ( 0.0384615 0.0000000 0.0000000), wk = 0.0035842 k( 5) = ( 0.0512821 0.0000000 0.0000000), wk = 0.0035842 k( 6) = ( 0.0641026 0.0000000 0.0000000), wk = 0.0035842 k( 7) = ( 0.0769231 0.0000000 0.0000000), wk = 0.0035842 k( 8) = ( 0.0897436 -0.0000000 0.0000000), wk = 0.0035842 k( 9) = ( 0.1025641 0.0000000 0.0000000), wk = 0.0035842 k( 10) = ( 0.1153846 -0.0000000 -0.0000000), wk = 0.0035842 k( 11) = ( 0.1282051 0.0000000 0.0000000), wk = 0.0035842 k( 12) = ( 0.1410256 0.0000000 0.0000000), wk = 0.0035842 k( 13) = ( 0.1538461 -0.0000000 -0.0000000), wk = 0.0035842 k( 14) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0035842 k( 15) = ( 0.1794872 -0.0000000 0.0000000), wk = 0.0035842 k( 16) = ( 0.1923077 0.0000000 0.0000000), wk = 0.0035842 k( 17) = ( 0.2051282 0.0000000 0.0000000), wk = 0.0035842 k( 18) = ( 0.2179487 0.0000000 0.0000000), wk = 0.0035842 k( 19) = ( 0.2307692 0.0000000 0.0000000), wk = 0.0035842 k( 20) = ( 0.2435897 -0.0000000 -0.0000000), wk = 0.0035842 k( 21) = ( 0.2564103 0.0000000 0.0000000), wk = 0.0035842 k( 22) = ( 0.2692308 0.0000000 -0.0000000), wk = 0.0035842 k( 23) = ( 0.2820513 0.0000000 0.0000000), wk = 0.0035842 k( 24) = ( 0.2948718 -0.0000000 -0.0000000), wk = 0.0035842 k( 25) = ( 0.3076923 -0.0000000 0.0000000), wk = 0.0035842 k( 26) = ( 0.3205128 -0.0000000 0.0000000), wk = 0.0035842 k( 27) = ( 0.3333333 0.0000000 -0.0000000), wk = 0.0035842 k( 28) = ( 0.3461538 0.0000000 -0.0000000), wk = 0.0035842 k( 29) = ( 0.3589744 -0.0000000 0.0000000), wk = 0.0035842 k( 30) = ( 0.3717949 -0.0000000 0.0000000), wk = 0.0035842 k( 31) = ( 0.3846154 0.0000000 0.0000000), wk = 0.0035842 k( 32) = ( 0.3974359 0.0000000 0.0000000), wk = 0.0035842 k( 33) = ( 0.4102564 0.0000000 -0.0000000), wk = 0.0035842 k( 34) = ( 0.4230769 0.0000000 0.0000000), wk = 0.0035842 k( 35) = ( 0.4358974 0.0000000 0.0000000), wk = 0.0035842 k( 36) = ( 0.4487179 0.0000000 -0.0000000), wk = 0.0035842 k( 37) = ( 0.4615385 0.0000000 0.0000000), wk = 0.0035842 k( 38) = ( 0.4743590 -0.0000000 -0.0000000), wk = 0.0035842 k( 39) = ( 0.4871795 -0.0000000 0.0000000), wk = 0.0035842 k( 40) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0035842 k( 41) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0035842 k( 42) = ( 0.4924242 0.0151515 0.0000000), wk = 0.0035842 k( 43) = ( 0.4848485 0.0303030 -0.0000000), wk = 0.0035842 k( 44) = ( 0.4772727 0.0454546 -0.0000000), wk = 0.0035842 k( 45) = ( 0.4696970 0.0606061 0.0000000), wk = 0.0035842 k( 46) = ( 0.4621212 0.0757576 -0.0000000), wk = 0.0035842 k( 47) = ( 0.4545455 0.0909091 -0.0000000), wk = 0.0035842 k( 48) = ( 0.4469697 0.1060606 0.0000000), wk = 0.0035842 k( 49) = ( 0.4393939 0.1212121 0.0000000), wk = 0.0035842 k( 50) = ( 0.4318182 0.1363636 -0.0000000), wk = 0.0035842 k( 51) = ( 0.4242424 0.1515151 -0.0000000), wk = 0.0035842 k( 52) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0035842 k( 53) = ( 0.4090909 0.1818182 0.0000000), wk = 0.0035842 k( 54) = ( 0.4015151 0.1969697 0.0000000), wk = 0.0035842 k( 55) = ( 0.3939394 0.2121212 -0.0000000), wk = 0.0035842 k( 56) = ( 0.3863636 0.2272727 0.0000000), wk = 0.0035842 k( 57) = ( 0.3787879 0.2424242 -0.0000000), wk = 0.0035842 k( 58) = ( 0.3712121 0.2575758 -0.0000000), wk = 0.0035842 k( 59) = ( 0.3636364 0.2727273 -0.0000000), wk = 0.0035842 k( 60) = ( 0.3560606 0.2878788 0.0000000), wk = 0.0035842 k( 61) = ( 0.3484849 0.3030303 0.0000000), wk = 0.0035842 k( 62) = ( 0.3409091 0.3181818 0.0000000), wk = 0.0035842 k( 63) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0035842 k( 64) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0035842 k( 65) = ( 0.3257576 0.3257576 -0.0000000), wk = 0.0035842 k( 66) = ( 0.3181818 0.3181818 -0.0000000), wk = 0.0035842 k( 67) = ( 0.3106061 0.3106061 0.0000000), wk = 0.0035842 k( 68) = ( 0.3030303 0.3030303 0.0000000), wk = 0.0035842 k( 69) = ( 0.2954545 0.2954545 0.0000000), wk = 0.0035842 k( 70) = ( 0.2878788 0.2878788 0.0000000), wk = 0.0035842 k( 71) = ( 0.2803030 0.2803030 -0.0000000), wk = 0.0035842 k( 72) = ( 0.2727273 0.2727273 -0.0000000), wk = 0.0035842 k( 73) = ( 0.2651515 0.2651515 0.0000000), wk = 0.0035842 k( 74) = ( 0.2575758 0.2575758 -0.0000000), wk = 0.0035842 k( 75) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0035842 k( 76) = ( 0.2424242 0.2424242 0.0000000), wk = 0.0035842 k( 77) = ( 0.2348485 0.2348485 0.0000000), wk = 0.0035842 k( 78) = ( 0.2272727 0.2272727 0.0000000), wk = 0.0035842 k( 79) = ( 0.2196970 0.2196970 -0.0000000), wk = 0.0035842 k( 80) = ( 0.2121212 0.2121212 0.0000000), wk = 0.0035842 k( 81) = ( 0.2045454 0.2045454 0.0000000), wk = 0.0035842 k( 82) = ( 0.1969697 0.1969697 0.0000000), wk = 0.0035842 k( 83) = ( 0.1893939 0.1893939 0.0000000), wk = 0.0035842 k( 84) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0035842 k( 85) = ( 0.1742424 0.1742424 0.0000000), wk = 0.0035842 k( 86) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0035842 k( 87) = ( 0.1590909 0.1590909 -0.0000000), wk = 0.0035842 k( 88) = ( 0.1515151 0.1515151 0.0000000), wk = 0.0035842 k( 89) = ( 0.1439394 0.1439394 -0.0000000), wk = 0.0035842 k( 90) = ( 0.1363636 0.1363636 -0.0000000), wk = 0.0035842 k( 91) = ( 0.1287879 0.1287879 -0.0000000), wk = 0.0035842 k( 92) = ( 0.1212121 0.1212121 0.0000000), wk = 0.0035842 k( 93) = ( 0.1136364 0.1136364 0.0000000), wk = 0.0035842 k( 94) = ( 0.1060606 0.1060606 -0.0000000), wk = 0.0035842 k( 95) = ( 0.0984848 0.0984849 0.0000000), wk = 0.0035842 k( 96) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0035842 k( 97) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0035842 k( 98) = ( 0.0757576 0.0757576 -0.0000000), wk = 0.0035842 k( 99) = ( 0.0681818 0.0681818 -0.0000000), wk = 0.0035842 k( 100) = ( 0.0606061 0.0606061 0.0000000), wk = 0.0035842 k( 101) = ( 0.0530303 0.0530303 -0.0000000), wk = 0.0035842 k( 102) = ( 0.0454546 0.0454545 -0.0000000), wk = 0.0035842 k( 103) = ( 0.0378788 0.0378788 -0.0000000), wk = 0.0035842 k( 104) = ( 0.0303030 0.0303030 0.0000000), wk = 0.0035842 k( 105) = ( 0.0227273 0.0227273 -0.0000000), wk = 0.0035842 k( 106) = ( 0.0151515 0.0151515 0.0000000), wk = 0.0035842 k( 107) = ( 0.0075758 0.0075758 0.0000000), wk = 0.0035842 k( 108) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 109) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035842 k( 110) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0035842 k( 111) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0035842 k( 112) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0035842 k( 113) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0035842 k( 114) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0035842 k( 115) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0035842 k( 116) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0035842 k( 117) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0035842 k( 118) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0035842 k( 119) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0035842 k( 120) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0035842 k( 121) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0035842 k( 122) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0035842 k( 123) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0035842 k( 124) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0035842 k( 125) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0035842 k( 126) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0035842 k( 127) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0035842 k( 128) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0035842 k( 129) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035842 k( 130) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035842 k( 131) = ( 0.0128205 0.0000000 0.5000000), wk = 0.0035842 k( 132) = ( 0.0256410 0.0000000 0.5000000), wk = 0.0035842 k( 133) = ( 0.0384615 0.0000000 0.5000000), wk = 0.0035842 k( 134) = ( 0.0512821 0.0000000 0.5000000), wk = 0.0035842 k( 135) = ( 0.0641026 0.0000000 0.5000000), wk = 0.0035842 k( 136) = ( 0.0769231 0.0000000 0.5000000), wk = 0.0035842 k( 137) = ( 0.0897436 -0.0000000 0.5000000), wk = 0.0035842 k( 138) = ( 0.1025641 0.0000000 0.5000000), wk = 0.0035842 k( 139) = ( 0.1153846 -0.0000000 0.5000000), wk = 0.0035842 k( 140) = ( 0.1282051 0.0000000 0.5000000), wk = 0.0035842 k( 141) = ( 0.1410256 0.0000000 0.5000000), wk = 0.0035842 k( 142) = ( 0.1538461 -0.0000000 0.5000000), wk = 0.0035842 k( 143) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0035842 k( 144) = ( 0.1794872 -0.0000000 0.5000000), wk = 0.0035842 k( 145) = ( 0.1923077 0.0000000 0.5000000), wk = 0.0035842 k( 146) = ( 0.2051282 0.0000000 0.5000000), wk = 0.0035842 k( 147) = ( 0.2179487 0.0000000 0.5000000), wk = 0.0035842 k( 148) = ( 0.2307692 0.0000000 0.5000000), wk = 0.0035842 k( 149) = ( 0.2435897 -0.0000000 0.5000000), wk = 0.0035842 k( 150) = ( 0.2564103 0.0000000 0.5000000), wk = 0.0035842 k( 151) = ( 0.2692308 0.0000000 0.5000000), wk = 0.0035842 k( 152) = ( 0.2820513 0.0000000 0.5000000), wk = 0.0035842 k( 153) = ( 0.2948718 -0.0000000 0.5000000), wk = 0.0035842 k( 154) = ( 0.3076923 -0.0000000 0.5000000), wk = 0.0035842 k( 155) = ( 0.3205128 -0.0000000 0.5000000), wk = 0.0035842 k( 156) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0035842 k( 157) = ( 0.3461538 0.0000000 0.5000000), wk = 0.0035842 k( 158) = ( 0.3589744 -0.0000000 0.5000000), wk = 0.0035842 k( 159) = ( 0.3717949 -0.0000000 0.5000000), wk = 0.0035842 k( 160) = ( 0.3846154 0.0000000 0.5000000), wk = 0.0035842 k( 161) = ( 0.3974359 0.0000000 0.5000000), wk = 0.0035842 k( 162) = ( 0.4102564 0.0000000 0.5000000), wk = 0.0035842 k( 163) = ( 0.4230769 0.0000000 0.5000000), wk = 0.0035842 k( 164) = ( 0.4358974 0.0000000 0.5000000), wk = 0.0035842 k( 165) = ( 0.4487179 0.0000000 0.5000000), wk = 0.0035842 k( 166) = ( 0.4615385 0.0000000 0.5000000), wk = 0.0035842 k( 167) = ( 0.4743590 -0.0000000 0.5000000), wk = 0.0035842 k( 168) = ( 0.4871795 -0.0000000 0.5000000), wk = 0.0035842 k( 169) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035842 k( 170) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035842 k( 171) = ( 0.4924242 0.0151515 0.5000000), wk = 0.0035842 k( 172) = ( 0.4848485 0.0303030 0.5000000), wk = 0.0035842 k( 173) = ( 0.4772727 0.0454546 0.5000000), wk = 0.0035842 k( 174) = ( 0.4696970 0.0606061 0.5000000), wk = 0.0035842 k( 175) = ( 0.4621212 0.0757576 0.5000000), wk = 0.0035842 k( 176) = ( 0.4545455 0.0909091 0.5000000), wk = 0.0035842 k( 177) = ( 0.4469697 0.1060606 0.5000000), wk = 0.0035842 k( 178) = ( 0.4393939 0.1212121 0.5000000), wk = 0.0035842 k( 179) = ( 0.4318182 0.1363636 0.5000000), wk = 0.0035842 k( 180) = ( 0.4242424 0.1515151 0.5000000), wk = 0.0035842 k( 181) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0035842 k( 182) = ( 0.4090909 0.1818182 0.5000000), wk = 0.0035842 k( 183) = ( 0.4015151 0.1969697 0.5000000), wk = 0.0035842 k( 184) = ( 0.3939394 0.2121212 0.5000000), wk = 0.0035842 k( 185) = ( 0.3863636 0.2272727 0.5000000), wk = 0.0035842 k( 186) = ( 0.3787879 0.2424242 0.5000000), wk = 0.0035842 k( 187) = ( 0.3712121 0.2575758 0.5000000), wk = 0.0035842 k( 188) = ( 0.3636364 0.2727273 0.5000000), wk = 0.0035842 k( 189) = ( 0.3560606 0.2878788 0.5000000), wk = 0.0035842 k( 190) = ( 0.3484849 0.3030303 0.5000000), wk = 0.0035842 k( 191) = ( 0.3409091 0.3181818 0.5000000), wk = 0.0035842 k( 192) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035842 k( 193) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035842 k( 194) = ( 0.3257576 0.3257576 0.5000000), wk = 0.0035842 k( 195) = ( 0.3181818 0.3181818 0.5000000), wk = 0.0035842 k( 196) = ( 0.3106061 0.3106061 0.5000000), wk = 0.0035842 k( 197) = ( 0.3030303 0.3030303 0.5000000), wk = 0.0035842 k( 198) = ( 0.2954545 0.2954545 0.5000000), wk = 0.0035842 k( 199) = ( 0.2878788 0.2878788 0.5000000), wk = 0.0035842 k( 200) = ( 0.2803030 0.2803030 0.5000000), wk = 0.0035842 k( 201) = ( 0.2727273 0.2727273 0.5000000), wk = 0.0035842 k( 202) = ( 0.2651515 0.2651515 0.5000000), wk = 0.0035842 k( 203) = ( 0.2575758 0.2575758 0.5000000), wk = 0.0035842 k( 204) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0035842 k( 205) = ( 0.2424242 0.2424242 0.5000000), wk = 0.0035842 k( 206) = ( 0.2348485 0.2348485 0.5000000), wk = 0.0035842 k( 207) = ( 0.2272727 0.2272727 0.5000000), wk = 0.0035842 k( 208) = ( 0.2196970 0.2196970 0.5000000), wk = 0.0035842 k( 209) = ( 0.2121212 0.2121212 0.5000000), wk = 0.0035842 k( 210) = ( 0.2045454 0.2045454 0.5000000), wk = 0.0035842 k( 211) = ( 0.1969697 0.1969697 0.5000000), wk = 0.0035842 k( 212) = ( 0.1893939 0.1893939 0.5000000), wk = 0.0035842 k( 213) = ( 0.1818182 0.1818182 0.5000000), wk = 0.0035842 k( 214) = ( 0.1742424 0.1742424 0.5000000), wk = 0.0035842 k( 215) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0035842 k( 216) = ( 0.1590909 0.1590909 0.5000000), wk = 0.0035842 k( 217) = ( 0.1515151 0.1515151 0.5000000), wk = 0.0035842 k( 218) = ( 0.1439394 0.1439394 0.5000000), wk = 0.0035842 k( 219) = ( 0.1363636 0.1363636 0.5000000), wk = 0.0035842 k( 220) = ( 0.1287879 0.1287879 0.5000000), wk = 0.0035842 k( 221) = ( 0.1212121 0.1212121 0.5000000), wk = 0.0035842 k( 222) = ( 0.1136364 0.1136364 0.5000000), wk = 0.0035842 k( 223) = ( 0.1060606 0.1060606 0.5000000), wk = 0.0035842 k( 224) = ( 0.0984848 0.0984849 0.5000000), wk = 0.0035842 k( 225) = ( 0.0909091 0.0909091 0.5000000), wk = 0.0035842 k( 226) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0035842 k( 227) = ( 0.0757576 0.0757576 0.5000000), wk = 0.0035842 k( 228) = ( 0.0681818 0.0681818 0.5000000), wk = 0.0035842 k( 229) = ( 0.0606061 0.0606061 0.5000000), wk = 0.0035842 k( 230) = ( 0.0530303 0.0530303 0.5000000), wk = 0.0035842 k( 231) = ( 0.0454546 0.0454545 0.5000000), wk = 0.0035842 k( 232) = ( 0.0378788 0.0378788 0.5000000), wk = 0.0035842 k( 233) = ( 0.0303030 0.0303030 0.5000000), wk = 0.0035842 k( 234) = ( 0.0227273 0.0227273 0.5000000), wk = 0.0035842 k( 235) = ( 0.0151515 0.0151515 0.5000000), wk = 0.0035842 k( 236) = ( 0.0075758 0.0075758 0.5000000), wk = 0.0035842 k( 237) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035842 k( 238) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035842 k( 239) = ( 0.5000000 0.0000000 0.4750000), wk = 0.0035842 k( 240) = ( 0.5000000 0.0000000 0.4500000), wk = 0.0035842 k( 241) = ( 0.5000000 0.0000000 0.4250000), wk = 0.0035842 k( 242) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0035842 k( 243) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0035842 k( 244) = ( 0.5000000 0.0000000 0.3500000), wk = 0.0035842 k( 245) = ( 0.5000000 0.0000000 0.3250000), wk = 0.0035842 k( 246) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0035842 k( 247) = ( 0.5000000 0.0000000 0.2750000), wk = 0.0035842 k( 248) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0035842 k( 249) = ( 0.5000000 0.0000000 0.2250000), wk = 0.0035842 k( 250) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0035842 k( 251) = ( 0.5000000 0.0000000 0.1750000), wk = 0.0035842 k( 252) = ( 0.5000000 0.0000000 0.1500000), wk = 0.0035842 k( 253) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0035842 k( 254) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0035842 k( 255) = ( 0.5000000 0.0000000 0.0750000), wk = 0.0035842 k( 256) = ( 0.5000000 0.0000000 0.0500000), wk = 0.0035842 k( 257) = ( 0.5000000 0.0000000 0.0250000), wk = 0.0035842 k( 258) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0035842 k( 259) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0035842 k( 260) = ( 0.3333333 0.3333333 0.0250000), wk = 0.0035842 k( 261) = ( 0.3333333 0.3333333 0.0500000), wk = 0.0035842 k( 262) = ( 0.3333333 0.3333333 0.0750000), wk = 0.0035842 k( 263) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0035842 k( 264) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0035842 k( 265) = ( 0.3333333 0.3333333 0.1500000), wk = 0.0035842 k( 266) = ( 0.3333333 0.3333333 0.1750000), wk = 0.0035842 k( 267) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0035842 k( 268) = ( 0.3333333 0.3333333 0.2250000), wk = 0.0035842 k( 269) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0035842 k( 270) = ( 0.3333333 0.3333333 0.2750000), wk = 0.0035842 k( 271) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0035842 k( 272) = ( 0.3333333 0.3333333 0.3250000), wk = 0.0035842 k( 273) = ( 0.3333333 0.3333333 0.3500000), wk = 0.0035842 k( 274) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0035842 k( 275) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0035842 k( 276) = ( 0.3333333 0.3333333 0.4250000), wk = 0.0035842 k( 277) = ( 0.3333333 0.3333333 0.4500000), wk = 0.0035842 k( 278) = ( 0.3333333 0.3333333 0.4750000), wk = 0.0035842 k( 279) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035842 Dense grid: 138011 G-vectors FFT dimensions: ( 60, 60, 96) Smooth grid: 65943 G-vectors FFT dimensions: ( 45, 45, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.34 Mb ( 464, 48) NL pseudopotentials 0.46 Mb ( 232, 131) Each V/rho on FFT grid 0.16 Mb ( 10800) Each G-vector array 0.03 Mb ( 3834) G-vector shells 0.01 Mb ( 1812) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.36 Mb ( 464, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.19 Mb ( 131, 2, 48) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./BaxMgSbx2.save/charge-density.dat Starting wfc are 46 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.7 secs Computing kpt #: 2 total cpu time spent up to now is 4.9 secs Computing kpt #: 3 total cpu time spent up to now is 6.3 secs Computing kpt #: 4 total cpu time spent up to now is 7.3 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 9.6 secs Computing kpt #: 7 total cpu time spent up to now is 10.8 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 12.6 secs Computing kpt #: 10 total cpu time spent up to now is 13.5 secs Computing kpt #: 11 total cpu time spent up to now is 14.2 secs Computing kpt #: 12 total cpu time spent up to now is 14.9 secs Computing kpt #: 13 total cpu time spent up to now is 15.7 secs Computing kpt #: 14 total cpu time spent up to now is 16.4 secs Computing kpt #: 15 total cpu time spent up to now is 17.3 secs Computing kpt #: 16 total cpu time spent up to now is 18.1 secs Computing kpt #: 17 total cpu time spent up to now is 18.8 secs Computing kpt #: 18 total cpu time spent up to now is 19.5 secs Computing kpt #: 19 total cpu time spent up to now is 20.2 secs Computing kpt #: 20 total cpu time spent up to now is 21.1 secs Computing kpt #: 21 total cpu time spent up to now is 21.9 secs Computing kpt #: 22 total cpu time spent up to now is 22.8 secs Computing kpt #: 23 total cpu time spent up to now is 23.5 secs Computing kpt #: 24 total cpu time spent up to now is 24.3 secs Computing kpt #: 25 total cpu time spent up to now is 25.3 secs Computing kpt #: 26 total cpu time spent up to now is 26.1 secs Computing kpt #: 27 total cpu time spent up to now is 26.7 secs Computing kpt #: 28 total cpu time spent up to now is 27.4 secs Computing kpt #: 29 total cpu time spent up to now is 28.1 secs Computing kpt #: 30 total cpu time spent up to now is 28.9 secs Computing kpt #: 31 total cpu time spent up to now is 29.6 secs Computing kpt #: 32 total cpu time spent up to now is 30.4 secs Computing kpt #: 33 total cpu time spent up to now is 31.1 secs Computing kpt #: 34 total cpu time spent up to now is 31.9 secs Computing kpt #: 35 total cpu time spent up to now is 32.6 secs Computing kpt #: 36 total cpu time spent up to now is 33.3 secs Computing kpt #: 37 total cpu time spent up to now is 33.9 secs Computing kpt #: 38 total cpu time spent up to now is 34.6 secs Computing kpt #: 39 total cpu time spent up to now is 35.2 secs Computing kpt #: 40 total cpu time spent up to now is 35.9 secs Computing kpt #: 41 total cpu time spent up to now is 36.5 secs Computing kpt #: 42 total cpu time spent up to now is 37.2 secs Computing kpt #: 43 total cpu time spent up to now is 37.8 secs Computing kpt #: 44 total cpu time spent up to now is 38.5 secs Computing kpt #: 45 total cpu time spent up to now is 39.2 secs Computing kpt #: 46 total cpu time spent up to now is 39.9 secs Computing kpt #: 47 total cpu time spent up to now is 40.6 secs Computing kpt #: 48 total cpu time spent up to now is 41.2 secs Computing kpt #: 49 total cpu time spent up to now is 41.9 secs Computing kpt #: 50 total cpu time spent up to now is 42.5 secs Computing kpt #: 51 total cpu time spent up to now is 43.2 secs Computing kpt #: 52 total cpu time spent up to now is 43.7 secs Computing kpt #: 53 total cpu time spent up to now is 44.3 secs Computing kpt #: 54 total cpu time spent up to now is 45.0 secs Computing kpt #: 55 total cpu time spent up to now is 45.5 secs Computing kpt #: 56 total cpu time spent up to now is 46.2 secs Computing kpt #: 57 total cpu time spent up to now is 46.7 secs Computing kpt #: 58 total cpu time spent up to now is 47.4 secs Computing kpt #: 59 total cpu time spent up to now is 48.1 secs Computing kpt #: 60 total cpu time spent up to now is 48.7 secs Computing kpt #: 61 total cpu time spent up to now is 49.4 secs Computing kpt #: 62 total cpu time spent up to now is 50.1 secs Computing kpt #: 63 total cpu time spent up to now is 50.7 secs Computing kpt #: 64 total cpu time spent up to now is 51.4 secs Computing kpt #: 65 total cpu time spent up to now is 52.1 secs Computing kpt #: 66 total cpu time spent up to now is 52.8 secs Computing kpt #: 67 total cpu time spent up to now is 53.5 secs Computing kpt #: 68 total cpu time spent up to now is 54.2 secs Computing kpt #: 69 total cpu time spent up to now is 54.9 secs Computing kpt #: 70 total cpu time spent up to now is 55.6 secs Computing kpt #: 71 total cpu time spent up to now is 56.4 secs Computing kpt #: 72 total cpu time spent up to now is 57.1 secs Computing kpt #: 73 total cpu time spent up to now is 57.8 secs Computing kpt #: 74 total cpu time spent up to now is 58.5 secs Computing kpt #: 75 total cpu time spent up to now is 59.2 secs Computing kpt #: 76 total cpu time spent up to now is 59.8 secs Computing kpt #: 77 total cpu time spent up to now is 60.5 secs Computing kpt #: 78 total cpu time spent up to now is 61.2 secs Computing kpt #: 79 total cpu time spent up to now is 61.9 secs Computing kpt #: 80 total cpu time spent up to now is 62.5 secs Computing kpt #: 81 total cpu time spent up to now is 63.2 secs Computing kpt #: 82 total cpu time spent up to now is 63.8 secs Computing kpt #: 83 total cpu time spent up to now is 64.5 secs Computing kpt #: 84 total cpu time spent up to now is 65.2 secs Computing kpt #: 85 total cpu time spent up to now is 65.8 secs Computing kpt #: 86 total cpu time spent up to now is 66.5 secs Computing kpt #: 87 total cpu time spent up to now is 67.2 secs Computing kpt #: 88 total cpu time spent up to now is 67.9 secs Computing kpt #: 89 total cpu time spent up to now is 68.6 secs Computing kpt #: 90 total cpu time spent up to now is 69.2 secs Computing kpt #: 91 total cpu time spent up to now is 69.9 secs Computing kpt #: 92 total cpu time spent up to now is 70.6 secs Computing kpt #: 93 total cpu time spent up to now is 71.5 secs Computing kpt #: 94 total cpu time spent up to now is 72.4 secs Computing kpt #: 95 total cpu time spent up to now is 73.2 secs Computing kpt #: 96 total cpu time spent up to now is 73.9 secs Computing kpt #: 97 total cpu time spent up to now is 74.7 secs Computing kpt #: 98 total cpu time spent up to now is 75.4 secs Computing kpt #: 99 total cpu time spent up to now is 76.2 secs Computing kpt #: 100 total cpu time spent up to now is 76.9 secs Computing kpt #: 101 total cpu time spent up to now is 77.6 secs Computing kpt #: 102 total cpu time spent up to now is 78.4 secs Computing kpt #: 103 total cpu time spent up to now is 79.4 secs Computing kpt #: 104 total cpu time spent up to now is 80.4 secs Computing kpt #: 105 total cpu time spent up to now is 81.5 secs Computing kpt #: 106 total cpu time spent up to now is 82.5 secs Computing kpt #: 107 total cpu time spent up to now is 83.7 secs Computing kpt #: 108 total cpu time spent up to now is 84.6 secs Computing kpt #: 109 total cpu time spent up to now is 85.8 secs Computing kpt #: 110 total cpu time spent up to now is 86.9 secs Computing kpt #: 111 total cpu time spent up to now is 88.1 secs Computing kpt #: 112 total cpu time spent up to now is 89.3 secs Computing kpt #: 113 total cpu time spent up to now is 90.4 secs Computing kpt #: 114 total cpu time spent up to now is 91.7 secs Computing kpt #: 115 total cpu time spent up to now is 92.9 secs Computing kpt #: 116 total cpu time spent up to now is 93.6 secs Computing kpt #: 117 total cpu time spent up to now is 94.6 secs Computing kpt #: 118 total cpu time spent up to now is 95.7 secs Computing kpt #: 119 total cpu time spent up to now is 96.5 secs Computing kpt #: 120 total cpu time spent up to now is 97.4 secs Computing kpt #: 121 total cpu time spent up to now is 98.1 secs Computing kpt #: 122 total cpu time spent up to now is 98.8 secs Computing kpt #: 123 total cpu time spent up to now is 99.4 secs Computing kpt #: 124 total cpu time spent up to now is 100.1 secs Computing kpt #: 125 total cpu time spent up to now is 100.7 secs Computing kpt #: 126 total cpu time spent up to now is 101.4 secs Computing kpt #: 127 total cpu time spent up to now is 102.1 secs Computing kpt #: 128 total cpu time spent up to now is 102.8 secs Computing kpt #: 129 total cpu time spent up to now is 103.4 secs Computing kpt #: 130 total cpu time spent up to now is 104.1 secs Computing kpt #: 131 total cpu time spent up to now is 104.8 secs Computing kpt #: 132 total cpu time spent up to now is 105.5 secs Computing kpt #: 133 total cpu time spent up to now is 106.0 secs Computing kpt #: 134 total cpu time spent up to now is 106.6 secs Computing kpt #: 135 total cpu time spent up to now is 107.2 secs Computing kpt #: 136 total cpu time spent up to now is 107.8 secs Computing kpt #: 137 total cpu time spent up to now is 108.3 secs Computing kpt #: 138 total cpu time spent up to now is 109.0 secs Computing kpt #: 139 total cpu time spent up to now is 109.7 secs Computing kpt #: 140 total cpu time spent up to now is 110.5 secs Computing kpt #: 141 total cpu time spent up to now is 111.4 secs Computing kpt #: 142 total cpu time spent up to now is 112.2 secs Computing kpt #: 143 total cpu time spent up to now is 112.9 secs Computing kpt #: 144 total cpu time spent up to now is 114.0 secs Computing kpt #: 145 total cpu time spent up to now is 114.9 secs Computing kpt #: 146 total cpu time spent up to now is 115.9 secs Computing kpt #: 147 total cpu time spent up to now is 116.7 secs Computing kpt #: 148 total cpu time spent up to now is 117.4 secs Computing kpt #: 149 total cpu time spent up to now is 117.9 secs Computing kpt #: 150 total cpu time spent up to now is 118.5 secs Computing kpt #: 151 total cpu time spent up to now is 119.0 secs Computing kpt #: 152 total cpu time spent up to now is 119.6 secs Computing kpt #: 153 total cpu time spent up to now is 120.1 secs Computing kpt #: 154 total cpu time spent up to now is 120.6 secs Computing kpt #: 155 total cpu time spent up to now is 121.1 secs Computing kpt #: 156 total cpu time spent up to now is 121.7 secs Computing kpt #: 157 total cpu time spent up to now is 122.2 secs Computing kpt #: 158 total cpu time spent up to now is 122.7 secs Computing kpt #: 159 total cpu time spent up to now is 123.2 secs Computing kpt #: 160 total cpu time spent up to now is 123.7 secs Computing kpt #: 161 total cpu time spent up to now is 124.2 secs Computing kpt #: 162 total cpu time spent up to now is 124.7 secs Computing kpt #: 163 total cpu time spent up to now is 125.2 secs Computing kpt #: 164 total cpu time spent up to now is 125.7 secs Computing kpt #: 165 total cpu time spent up to now is 126.1 secs Computing kpt #: 166 total cpu time spent up to now is 126.6 secs Computing kpt #: 167 total cpu time spent up to now is 127.1 secs Computing kpt #: 168 total cpu time spent up to now is 127.6 secs Computing kpt #: 169 total cpu time spent up to now is 128.1 secs Computing kpt #: 170 total cpu time spent up to now is 128.6 secs Computing kpt #: 171 total cpu time spent up to now is 129.1 secs Computing kpt #: 172 total cpu time spent up to now is 129.5 secs Computing kpt #: 173 total cpu time spent up to now is 130.0 secs Computing kpt #: 174 total cpu time spent up to now is 130.6 secs Computing kpt #: 175 total cpu time spent up to now is 131.1 secs Computing kpt #: 176 total cpu time spent up to now is 131.6 secs Computing kpt #: 177 total cpu time spent up to now is 132.2 secs Computing kpt #: 178 total cpu time spent up to now is 132.7 secs Computing kpt #: 179 total cpu time spent up to now is 133.3 secs Computing kpt #: 180 total cpu time spent up to now is 133.9 secs Computing kpt #: 181 total cpu time spent up to now is 134.4 secs Computing kpt #: 182 total cpu time spent up to now is 135.1 secs Computing kpt #: 183 total cpu time spent up to now is 135.7 secs Computing kpt #: 184 total cpu time spent up to now is 136.4 secs Computing kpt #: 185 total cpu time spent up to now is 137.0 secs Computing kpt #: 186 total cpu time spent up to now is 137.7 secs Computing kpt #: 187 total cpu time spent up to now is 138.4 secs Computing kpt #: 188 total cpu time spent up to now is 139.1 secs Computing kpt #: 189 total cpu time spent up to now is 139.8 secs Computing kpt #: 190 total cpu time spent up to now is 140.5 secs Computing kpt #: 191 total cpu time spent up to now is 141.3 secs Computing kpt #: 192 total cpu time spent up to now is 142.0 secs Computing kpt #: 193 total cpu time spent up to now is 142.7 secs Computing kpt #: 194 total cpu time spent up to now is 143.5 secs Computing kpt #: 195 total cpu time spent up to now is 144.2 secs Computing kpt #: 196 total cpu time spent up to now is 144.9 secs Computing kpt #: 197 total cpu time spent up to now is 145.6 secs Computing kpt #: 198 total cpu time spent up to now is 146.3 secs Computing kpt #: 199 total cpu time spent up to now is 147.1 secs Computing kpt #: 200 total cpu time spent up to now is 147.8 secs Computing kpt #: 201 total cpu time spent up to now is 148.5 secs Computing kpt #: 202 total cpu time spent up to now is 149.2 secs Computing kpt #: 203 total cpu time spent up to now is 149.9 secs Computing kpt #: 204 total cpu time spent up to now is 150.6 secs Computing kpt #: 205 total cpu time spent up to now is 151.3 secs Computing kpt #: 206 total cpu time spent up to now is 152.0 secs Computing kpt #: 207 total cpu time spent up to now is 152.8 secs Computing kpt #: 208 total cpu time spent up to now is 153.6 secs Computing kpt #: 209 total cpu time spent up to now is 154.5 secs Computing kpt #: 210 total cpu time spent up to now is 155.4 secs Computing kpt #: 211 total cpu time spent up to now is 156.2 secs Computing kpt #: 212 total cpu time spent up to now is 156.9 secs Computing kpt #: 213 total cpu time spent up to now is 157.7 secs Computing kpt #: 214 total cpu time spent up to now is 158.5 secs Computing kpt #: 215 total cpu time spent up to now is 159.3 secs Computing kpt #: 216 total cpu time spent up to now is 160.1 secs Computing kpt #: 217 total cpu time spent up to now is 160.9 secs Computing kpt #: 218 total cpu time spent up to now is 161.7 secs Computing kpt #: 219 total cpu time spent up to now is 162.4 secs Computing kpt #: 220 total cpu time spent up to now is 163.2 secs Computing kpt #: 221 total cpu time spent up to now is 163.9 secs Computing kpt #: 222 total cpu time spent up to now is 164.7 secs Computing kpt #: 223 total cpu time spent up to now is 165.4 secs Computing kpt #: 224 total cpu time spent up to now is 166.2 secs Computing kpt #: 225 total cpu time spent up to now is 167.0 secs Computing kpt #: 226 total cpu time spent up to now is 167.7 secs Computing kpt #: 227 total cpu time spent up to now is 168.3 secs Computing kpt #: 228 total cpu time spent up to now is 169.0 secs Computing kpt #: 229 total cpu time spent up to now is 169.7 secs Computing kpt #: 230 total cpu time spent up to now is 170.2 secs Computing kpt #: 231 total cpu time spent up to now is 170.9 secs Computing kpt #: 232 total cpu time spent up to now is 171.5 secs Computing kpt #: 233 total cpu time spent up to now is 172.1 secs Computing kpt #: 234 total cpu time spent up to now is 172.7 secs Computing kpt #: 235 total cpu time spent up to now is 173.2 secs Computing kpt #: 236 total cpu time spent up to now is 173.9 secs Computing kpt #: 237 total cpu time spent up to now is 174.6 secs Computing kpt #: 238 total cpu time spent up to now is 175.1 secs Computing kpt #: 239 total cpu time spent up to now is 175.6 secs Computing kpt #: 240 total cpu time spent up to now is 176.1 secs Computing kpt #: 241 total cpu time spent up to now is 176.6 secs Computing kpt #: 242 total cpu time spent up to now is 177.0 secs Computing kpt #: 243 total cpu time spent up to now is 177.5 secs Computing kpt #: 244 total cpu time spent up to now is 178.1 secs Computing kpt #: 245 total cpu time spent up to now is 178.6 secs Computing kpt #: 246 total cpu time spent up to now is 179.1 secs Computing kpt #: 247 total cpu time spent up to now is 179.7 secs Computing kpt #: 248 total cpu time spent up to now is 180.2 secs Computing kpt #: 249 total cpu time spent up to now is 180.8 secs Computing kpt #: 250 total cpu time spent up to now is 181.3 secs Computing kpt #: 251 total cpu time spent up to now is 182.0 secs Computing kpt #: 252 total cpu time spent up to now is 182.5 secs Computing kpt #: 253 total cpu time spent up to now is 183.1 secs Computing kpt #: 254 total cpu time spent up to now is 183.7 secs Computing kpt #: 255 total cpu time spent up to now is 184.4 secs Computing kpt #: 256 total cpu time spent up to now is 185.1 secs Computing kpt #: 257 total cpu time spent up to now is 185.7 secs Computing kpt #: 258 total cpu time spent up to now is 186.3 secs Computing kpt #: 259 total cpu time spent up to now is 187.0 secs Computing kpt #: 260 total cpu time spent up to now is 187.7 secs Computing kpt #: 261 total cpu time spent up to now is 188.4 secs Computing kpt #: 262 total cpu time spent up to now is 189.1 secs Computing kpt #: 263 total cpu time spent up to now is 189.8 secs Computing kpt #: 264 total cpu time spent up to now is 190.5 secs Computing kpt #: 265 total cpu time spent up to now is 191.1 secs Computing kpt #: 266 total cpu time spent up to now is 191.9 secs Computing kpt #: 267 total cpu time spent up to now is 192.6 secs Computing kpt #: 268 total cpu time spent up to now is 193.4 secs Computing kpt #: 269 total cpu time spent up to now is 194.1 secs Computing kpt #: 270 total cpu time spent up to now is 194.8 secs Computing kpt #: 271 total cpu time spent up to now is 195.5 secs Computing kpt #: 272 total cpu time spent up to now is 196.2 secs Computing kpt #: 273 total cpu time spent up to now is 196.8 secs Computing kpt #: 274 total cpu time spent up to now is 197.5 secs Computing kpt #: 275 total cpu time spent up to now is 198.1 secs Computing kpt #: 276 total cpu time spent up to now is 198.8 secs Computing kpt #: 277 total cpu time spent up to now is 199.4 secs Computing kpt #: 278 total cpu time spent up to now is 200.2 secs Computing kpt #: 279 total cpu time spent up to now is 200.9 secs ethr = 2.50E-08, avg # of iterations = 28.6 total cpu time spent up to now is 200.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8161 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0717 -37.0717 -36.7877 -36.7877 -36.7860 -36.7860 -36.7845 -36.7845 -36.7828 -36.7828 -21.9817 -21.9817 -8.6326 -8.6326 -6.7235 -6.7235 -6.5377 -6.5377 -3.5300 -3.5300 -2.4887 -2.4887 2.1807 2.1807 4.5283 4.5283 4.8412 4.8412 5.2113 5.2113 5.8646 5.8646 5.8860 5.8860 7.2232 7.2232 7.2454 7.2454 7.8294 7.8294 8.3375 8.3375 k = 0.0128 0.0074-0.0000 ( 8165 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0717 -37.0717 -36.7877 -36.7877 -36.7860 -36.7860 -36.7845 -36.7845 -36.7828 -36.7828 -21.9817 -21.9817 -8.6327 -8.6327 -6.7234 -6.7234 -6.5380 -6.5380 -3.5289 -3.5289 -2.4887 -2.4887 2.1822 2.1822 4.5250 4.5250 4.8372 4.8372 5.2065 5.2065 5.8583 5.8583 5.8774 5.8774 7.2298 7.2298 7.2515 7.2515 7.8375 7.8375 8.3425 8.3425 k = 0.0256 0.0148-0.0000 ( 8177 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0717 -37.0717 -36.7877 -36.7877 -36.7860 -36.7860 -36.7845 -36.7845 -36.7828 -36.7828 -21.9816 -21.9816 -8.6330 -8.6330 -6.7234 -6.7234 -6.5392 -6.5392 -3.5255 -3.5255 -2.4886 -2.4886 2.1867 2.1867 4.5148 4.5148 4.8258 4.8258 5.1919 5.1919 5.8305 5.8305 5.8621 5.8621 7.2493 7.2493 7.2683 7.2683 7.8611 7.8611 8.3572 8.3572 k = 0.0385 0.0222-0.0000 ( 8177 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0717 -37.0717 -36.7877 -36.7877 -36.7860 -36.7860 -36.7845 -36.7845 -36.7828 -36.7828 -21.9815 -21.9815 -8.6334 -8.6334 -6.7233 -6.7233 -6.5410 -6.5410 -3.5198 -3.5198 -2.4885 -2.4885 2.1942 2.1942 4.4971 4.4971 4.8082 4.8082 5.1672 5.1672 5.7800 5.7800 5.8460 5.8460 7.2799 7.2799 7.2930 7.2930 7.8985 7.8985 8.3798 8.3798 k = 0.0513 0.0296-0.0000 ( 8187 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0718 -37.0718 -36.7877 -36.7877 -36.7860 -36.7860 -36.7845 -36.7845 -36.7828 -36.7828 -21.9814 -21.9814 -8.6340 -8.6340 -6.7232 -6.7232 -6.5436 -6.5436 -3.5119 -3.5119 -2.4883 -2.4883 2.2046 2.2046 4.4710 4.4710 4.7865 4.7865 5.1317 5.1317 5.7162 5.7162 5.8258 5.8258 7.3147 7.3147 7.3268 7.3268 7.9467 7.9467 8.4049 8.4049 k = 0.0641 0.0370-0.0000 ( 8201 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0718 -37.0718 -36.7877 -36.7877 -36.7860 -36.7860 -36.7845 -36.7845 -36.7829 -36.7829 -21.9812 -21.9812 -8.6347 -8.6347 -6.7230 -6.7230 -6.5468 -6.5468 -3.5018 -3.5018 -2.4881 -2.4881 2.2180 2.2180 4.4355 4.4355 4.7628 4.7628 5.0849 5.0849 5.6458 5.6458 5.8010 5.8010 7.3442 7.3442 7.3737 7.3737 8.0020 8.0020 8.4274 8.4274 k = 0.0769 0.0444-0.0000 ( 8201 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0718 -37.0718 -36.7877 -36.7877 -36.7860 -36.7860 -36.7845 -36.7845 -36.7829 -36.7829 -21.9809 -21.9809 -8.6356 -8.6356 -6.7229 -6.7229 -6.5506 -6.5506 -3.4896 -3.4896 -2.4879 -2.4879 2.2341 2.2341 4.3904 4.3904 4.7388 4.7388 5.0264 5.0264 5.5741 5.5741 5.7719 5.7719 7.3710 7.3710 7.4256 7.4256 8.0610 8.0610 8.4454 8.4454 k = 0.0897 0.0518-0.0000 ( 8197 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0718 -37.0718 -36.7877 -36.7877 -36.7860 -36.7860 -36.7845 -36.7845 -36.7829 -36.7829 -21.9807 -21.9807 -8.6367 -8.6367 -6.7228 -6.7228 -6.5550 -6.5550 -3.4752 -3.4752 -2.4876 -2.4876 2.2530 2.2530 4.3358 4.3358 4.7152 4.7152 4.9570 4.9570 5.5044 5.5044 5.7390 5.7390 7.3949 7.3949 7.4777 7.4777 8.1218 8.1218 8.4609 8.4609 k = 0.1026 0.0592-0.0000 ( 8197 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0718 -37.0718 -36.7877 -36.7877 -36.7861 -36.7861 -36.7845 -36.7845 -36.7829 -36.7829 -21.9803 -21.9803 -8.6379 -8.6379 -6.7227 -6.7227 -6.5600 -6.5600 -3.4588 -3.4588 -2.4873 -2.4873 2.2744 2.2744 4.2725 4.2725 4.6914 4.6914 4.8788 4.8788 5.4386 5.4386 5.7027 5.7027 7.4146 7.4146 7.5262 7.5262 8.1847 8.1847 8.4790 8.4790 k = 0.1154 0.0666-0.0000 ( 8207 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0719 -37.0719 -36.7877 -36.7877 -36.7861 -36.7861 -36.7844 -36.7844 -36.7829 -36.7829 -21.9800 -21.9800 -8.6392 -8.6392 -6.7226 -6.7226 -6.5653 -6.5653 -3.4405 -3.4405 -2.4870 -2.4870 2.2982 2.2982 4.2016 4.2016 4.6645 4.6645 4.7970 4.7970 5.3772 5.3772 5.6636 5.6636 7.4277 7.4277 7.5691 7.5691 8.2514 8.2514 8.5039 8.5039 k = 0.1282 0.0740-0.0000 ( 8223 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0747 -37.0747 -37.0719 -37.0719 -36.7877 -36.7877 -36.7861 -36.7861 -36.7844 -36.7844 -36.7830 -36.7830 -21.9796 -21.9796 -8.6407 -8.6407 -6.7226 -6.7226 -6.5710 -6.5710 -3.4203 -3.4203 -2.4866 -2.4866 2.3243 2.3243 4.1242 4.1242 4.6243 4.6243 4.7240 4.7240 5.3196 5.3196 5.6220 5.6220 7.4315 7.4315 7.6068 7.6068 8.3237 8.3237 8.5365 8.5365 k = 0.1410 0.0814-0.0000 ( 8215 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0747 -37.0747 -37.0719 -37.0719 -36.7877 -36.7877 -36.7861 -36.7861 -36.7844 -36.7844 -36.7830 -36.7830 -21.9792 -21.9792 -8.6423 -8.6423 -6.7228 -6.7228 -6.5769 -6.5769 -3.3983 -3.3983 -2.4863 -2.4863 2.3524 2.3524 4.0414 4.0414 4.5554 4.5554 4.6777 4.6777 5.2651 5.2651 5.5786 5.5786 7.4236 7.4236 7.6418 7.6418 8.4020 8.4020 8.5753 8.5753 k = 0.1538 0.0888-0.0000 ( 8225 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0747 -37.0747 -37.0720 -37.0720 -36.7877 -36.7877 -36.7862 -36.7862 -36.7844 -36.7844 -36.7830 -36.7830 -21.9787 -21.9787 -8.6441 -8.6441 -6.7231 -6.7231 -6.5831 -6.5831 -3.3746 -3.3746 -2.4859 -2.4859 2.3824 2.3824 3.9538 3.9538 4.4675 4.4675 4.6506 4.6506 5.2129 5.2129 5.5336 5.5336 7.4034 7.4034 7.6769 7.6769 8.4842 8.4842 8.6154 8.6154 k = 0.1667 0.0962-0.0000 ( 8213 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0747 -37.0747 -37.0720 -37.0720 -36.7877 -36.7877 -36.7862 -36.7862 -36.7844 -36.7844 -36.7830 -36.7830 -21.9783 -21.9783 -8.6460 -8.6460 -6.7236 -6.7236 -6.5892 -6.5892 -3.3493 -3.3493 -2.4856 -2.4856 2.4138 2.4138 3.8623 3.8623 4.3749 4.3749 4.6300 4.6300 5.1624 5.1624 5.4876 5.4876 7.3723 7.3723 7.7138 7.7138 8.5658 8.5658 8.6517 8.6517 k = 0.1795 0.1036-0.0000 ( 8221 PWs) bands (ev): -70.1331 -70.1331 -70.1327 -70.1327 -37.0747 -37.0747 -37.0720 -37.0720 -36.7877 -36.7877 -36.7862 -36.7862 -36.7844 -36.7844 -36.7830 -36.7830 -21.9778 -21.9778 -8.6479 -8.6479 -6.7244 -6.7244 -6.5954 -6.5954 -3.3225 -3.3225 -2.4853 -2.4853 2.4465 2.4465 3.7674 3.7674 4.2834 4.2834 4.6118 4.6118 5.1131 5.1131 5.4408 5.4408 7.3325 7.3325 7.7531 7.7531 8.6395 8.6395 8.6883 8.6883 k = 0.1923 0.1110-0.0000 ( 8217 PWs) bands (ev): -70.1331 -70.1331 -70.1327 -70.1327 -37.0746 -37.0746 -37.0721 -37.0721 -36.7876 -36.7876 -36.7862 -36.7862 -36.7844 -36.7844 -36.7830 -36.7830 -21.9773 -21.9773 -8.6500 -8.6500 -6.7255 -6.7255 -6.6013 -6.6013 -3.2943 -3.2943 -2.4851 -2.4851 2.4799 2.4799 3.6698 3.6698 4.1956 4.1956 4.5946 4.5946 5.0649 5.0649 5.3936 5.3936 7.2866 7.2866 7.7948 7.7948 8.6937 8.6937 8.7367 8.7367 k = 0.2051 0.1184-0.0000 ( 8219 PWs) bands (ev): -70.1331 -70.1331 -70.1327 -70.1327 -37.0746 -37.0746 -37.0721 -37.0721 -36.7876 -36.7876 -36.7863 -36.7863 -36.7844 -36.7844 -36.7830 -36.7830 -21.9767 -21.9767 -8.6522 -8.6522 -6.7269 -6.7269 -6.6070 -6.6070 -3.2649 -3.2649 -2.4849 -2.4849 2.5136 2.5136 3.5701 3.5701 4.1127 4.1127 4.5780 4.5780 5.0176 5.0176 5.3463 5.3463 7.2368 7.2368 7.8387 7.8387 8.7338 8.7338 8.7912 8.7912 k = 0.2179 0.1258-0.0000 ( 8219 PWs) bands (ev): -70.1331 -70.1331 -70.1327 -70.1327 -37.0746 -37.0746 -37.0721 -37.0721 -36.7876 -36.7876 -36.7863 -36.7863 -36.7843 -36.7843 -36.7830 -36.7830 -21.9762 -21.9762 -8.6544 -8.6544 -6.7288 -6.7288 -6.6123 -6.6123 -3.2344 -3.2344 -2.4848 -2.4848 2.5471 2.5471 3.4692 3.4692 4.0358 4.0358 4.5618 4.5618 4.9711 4.9711 5.2991 5.2991 7.1846 7.1846 7.8843 7.8843 8.7725 8.7725 8.8388 8.8388 k = 0.2308 0.1332-0.0000 ( 8227 PWs) bands (ev): -70.1331 -70.1331 -70.1327 -70.1327 -37.0746 -37.0746 -37.0722 -37.0722 -36.7876 -36.7876 -36.7863 -36.7863 -36.7843 -36.7843 -36.7831 -36.7831 -21.9756 -21.9756 -8.6566 -8.6566 -6.7312 -6.7312 -6.6171 -6.6171 -3.2029 -3.2029 -2.4848 -2.4848 2.5796 2.5796 3.3680 3.3680 3.9654 3.9654 4.5458 4.5458 4.9254 4.9254 5.2524 5.2524 7.1315 7.1315 7.9313 7.9313 8.8132 8.8132 8.8772 8.8772 k = 0.2436 0.1406-0.0000 ( 8227 PWs) bands (ev): -70.1331 -70.1331 -70.1327 -70.1327 -37.0745 -37.0745 -37.0722 -37.0722 -36.7876 -36.7876 -36.7863 -36.7863 -36.7843 -36.7843 -36.7831 -36.7831 -21.9751 -21.9751 -8.6590 -8.6590 -6.7340 -6.7340 -6.6213 -6.6213 -3.1706 -3.1706 -2.4850 -2.4850 2.6103 2.6103 3.2675 3.2675 3.9022 3.9022 4.5301 4.5301 4.8805 4.8805 5.2062 5.2062 7.0783 7.0783 7.9792 7.9792 8.8564 8.8564 8.9088 8.9088 k = 0.2564 0.1480-0.0000 ( 8235 PWs) bands (ev): -70.1331 -70.1331 -70.1327 -70.1327 -37.0745 -37.0745 -37.0722 -37.0722 -36.7876 -36.7876 -36.7864 -36.7864 -36.7843 -36.7843 -36.7831 -36.7831 -21.9745 -21.9745 -8.6613 -8.6613 -6.7374 -6.7374 -6.6250 -6.6250 -3.1376 -3.1376 -2.4853 -2.4853 2.6380 2.6380 3.1688 3.1688 3.8465 3.8465 4.5147 4.5147 4.8364 4.8364 5.1610 5.1610 7.0259 7.0259 8.0274 8.0274 8.9003 8.9003 8.9385 8.9385 k = 0.2692 0.1554-0.0000 ( 8231 PWs) bands (ev): -70.1331 -70.1331 -70.1327 -70.1327 -37.0745 -37.0745 -37.0723 -37.0723 -36.7876 -36.7876 -36.7864 -36.7864 -36.7843 -36.7843 -36.7831 -36.7831 -21.9739 -21.9739 -8.6637 -8.6637 -6.7412 -6.7412 -6.6280 -6.6280 -3.1041 -3.1041 -2.4858 -2.4858 2.6610 2.6610 3.0735 3.0735 3.7990 3.7990 4.4995 4.4995 4.7932 4.7932 5.1167 5.1167 6.9747 6.9747 8.0754 8.0754 8.9393 8.9393 8.9751 8.9751 k = 0.2821 0.1628-0.0000 ( 8237 PWs) bands (ev): -70.1331 -70.1331 -70.1327 -70.1327 -37.0744 -37.0744 -37.0723 -37.0723 -36.7876 -36.7876 -36.7864 -36.7864 -36.7843 -36.7843 -36.7831 -36.7831 -21.9734 -21.9734 -8.6660 -8.6660 -6.7454 -6.7454 -6.6304 -6.6304 -3.0702 -3.0702 -2.4865 -2.4865 2.6766 2.6766 2.9842 2.9842 3.7601 3.7601 4.4846 4.4846 4.7510 4.7510 5.0737 5.0737 6.9252 6.9252 8.1226 8.1226 8.9697 8.9697 9.0241 9.0241 k = 0.2949 0.1702-0.0000 ( 8251 PWs) bands (ev): -70.1330 -70.1330 -70.1327 -70.1327 -37.0744 -37.0744 -37.0724 -37.0724 -36.7876 -36.7876 -36.7864 -36.7864 -36.7843 -36.7843 -36.7831 -36.7831 -21.9728 -21.9728 -8.6684 -8.6684 -6.7500 -6.7500 -6.6323 -6.6323 -3.0360 -3.0360 -2.4875 -2.4875 2.6796 2.6796 2.9058 2.9058 3.7303 3.7303 4.4701 4.4701 4.7098 4.7098 5.0322 5.0322 6.8778 6.8778 8.1682 8.1682 8.9978 8.9978 9.0804 9.0804 k = 0.3077 0.1776-0.0000 ( 8247 PWs) bands (ev): -70.1330 -70.1330 -70.1327 -70.1327 -37.0744 -37.0744 -37.0724 -37.0724 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7831 -36.7831 -21.9723 -21.9723 -8.6707 -8.6707 -6.7548 -6.7548 -6.6336 -6.6336 -3.0019 -3.0019 -2.4888 -2.4888 2.6604 2.6604 2.8480 2.8480 3.7100 3.7100 4.4558 4.4558 4.6697 4.6697 4.9921 4.9921 6.8326 6.8326 8.2117 8.2117 9.0264 9.0264 9.1349 9.1349 k = 0.3205 0.1850-0.0000 ( 8245 PWs) bands (ev): -70.1330 -70.1330 -70.1327 -70.1327 -37.0743 -37.0743 -37.0725 -37.0725 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7831 -36.7831 -21.9718 -21.9718 -8.6730 -8.6730 -6.7598 -6.7598 -6.6345 -6.6345 -2.9679 -2.9679 -2.4905 -2.4905 2.6134 2.6134 2.8164 2.8164 3.6991 3.6991 4.4418 4.4418 4.6309 4.6309 4.9538 4.9538 6.7900 6.7900 8.2524 8.2524 9.0527 9.0527 9.1269 9.1269 k = 0.3333 0.1925-0.0000 ( 8235 PWs) bands (ev): -70.1330 -70.1330 -70.1327 -70.1327 -37.0743 -37.0743 -37.0725 -37.0725 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7831 -36.7831 -21.9713 -21.9713 -8.6751 -8.6751 -6.7648 -6.7648 -6.6351 -6.6351 -2.9342 -2.9342 -2.4926 -2.4926 2.5488 2.5488 2.8013 2.8013 3.6974 3.6974 4.4278 4.4278 4.5935 4.5935 4.9173 4.9173 6.7499 6.7499 8.2898 8.2898 9.0568 9.0568 9.1297 9.1297 k = 0.3462 0.1999-0.0000 ( 8243 PWs) bands (ev): -70.1330 -70.1330 -70.1327 -70.1327 -37.0742 -37.0742 -37.0726 -37.0726 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9708 -21.9708 -8.6772 -8.6772 -6.7698 -6.7698 -6.6353 -6.6353 -2.9010 -2.9010 -2.4952 -2.4952 2.4785 2.4785 2.7915 2.7915 3.7041 3.7041 4.4137 4.4137 4.5579 4.5579 4.8828 4.8828 6.7125 6.7125 8.3234 8.3234 9.0264 9.0264 9.1612 9.1612 k = 0.3590 0.2073-0.0000 ( 8239 PWs) bands (ev): -70.1330 -70.1330 -70.1327 -70.1327 -37.0742 -37.0742 -37.0726 -37.0726 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9704 -21.9704 -8.6793 -8.6793 -6.7746 -6.7746 -6.6353 -6.6353 -2.8685 -2.8685 -2.4983 -2.4983 2.4087 2.4087 2.7821 2.7821 3.7184 3.7184 4.3990 4.3990 4.5246 4.5246 4.8504 4.8504 6.6780 6.6780 8.3528 8.3528 8.9822 8.9822 9.2040 9.2040 k = 0.3718 0.2147-0.0000 ( 8237 PWs) bands (ev): -70.1330 -70.1330 -70.1327 -70.1327 -37.0742 -37.0742 -37.0726 -37.0726 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9700 -21.9700 -8.6811 -8.6811 -6.7793 -6.7793 -6.6351 -6.6351 -2.8368 -2.8368 -2.5021 -2.5021 2.3419 2.3419 2.7718 2.7718 3.7391 3.7391 4.3828 4.3828 4.4942 4.4942 4.8202 4.8202 6.6464 6.6464 8.3779 8.3779 8.9339 8.9339 9.2513 9.2513 k = 0.3846 0.2221-0.0000 ( 8239 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0741 -37.0741 -37.0727 -37.0727 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9696 -21.9696 -8.6829 -8.6829 -6.7837 -6.7837 -6.6348 -6.6348 -2.8062 -2.8062 -2.5066 -2.5066 2.2795 2.2795 2.7603 2.7603 3.7650 3.7650 4.3643 4.3643 4.4677 4.4677 4.7924 4.7924 6.6176 6.6176 8.3982 8.3982 8.8860 8.8860 9.3005 9.3005 k = 0.3974 0.2295-0.0000 ( 8243 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0741 -37.0741 -37.0727 -37.0727 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9692 -21.9692 -8.6845 -8.6845 -6.7877 -6.7877 -6.6345 -6.6345 -2.7767 -2.7767 -2.5118 -2.5118 2.2222 2.2222 2.7483 2.7483 3.7949 3.7949 4.3424 4.3424 4.4461 4.4461 4.7670 4.7670 6.5919 6.5919 8.4136 8.4136 8.8414 8.8414 9.3497 9.3497 k = 0.4103 0.2369-0.0000 ( 8243 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0741 -37.0741 -37.0728 -37.0728 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9689 -21.9689 -8.6860 -8.6860 -6.7914 -6.7914 -6.6340 -6.6340 -2.7485 -2.7485 -2.5180 -2.5180 2.1706 2.1706 2.7363 2.7363 3.8278 3.8278 4.3169 4.3169 4.4293 4.4293 4.7442 4.7442 6.5691 6.5691 8.4237 8.4237 8.8023 8.8023 9.3970 9.3970 k = 0.4231 0.2443-0.0000 ( 8249 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0740 -37.0740 -37.0728 -37.0728 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9686 -21.9686 -8.6873 -8.6873 -6.7947 -6.7947 -6.6336 -6.6336 -2.7217 -2.7217 -2.5251 -2.5251 2.1251 2.1251 2.7248 2.7248 3.8628 3.8628 4.2885 4.2885 4.4169 4.4169 4.7241 4.7241 6.5493 6.5493 8.4286 8.4286 8.7701 8.7701 9.4406 9.4406 k = 0.4359 0.2517-0.0000 ( 8249 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0740 -37.0740 -37.0728 -37.0728 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9684 -21.9684 -8.6884 -8.6884 -6.7975 -6.7975 -6.6332 -6.6332 -2.6965 -2.6965 -2.5333 -2.5333 2.0861 2.0861 2.7143 2.7143 3.8992 3.8992 4.2579 4.2579 4.4076 4.4076 4.7068 4.7068 6.5326 6.5326 8.4287 8.4287 8.7454 8.7454 9.4791 9.4791 k = 0.4487 0.2591-0.0000 ( 8255 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0740 -37.0740 -37.0729 -37.0729 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9682 -21.9682 -8.6893 -8.6893 -6.7999 -6.7999 -6.6329 -6.6329 -2.6730 -2.6730 -2.5427 -2.5427 2.0538 2.0538 2.7052 2.7052 3.9363 3.9363 4.2258 4.2258 4.4009 4.4009 4.6925 4.6925 6.5188 6.5188 8.4252 8.4252 8.7280 8.7280 9.5111 9.5111 k = 0.4615 0.2665-0.0000 ( 8244 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0740 -37.0740 -37.0729 -37.0729 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9680 -21.9680 -8.6900 -8.6900 -6.8017 -6.8017 -6.6326 -6.6326 -2.6512 -2.6512 -2.5533 -2.5533 2.0285 2.0285 2.6978 2.6978 3.9735 3.9735 4.1927 4.1927 4.3961 4.3961 4.6812 4.6812 6.5082 6.5082 8.4199 8.4199 8.7166 8.7166 9.5362 9.5362 k = 0.4744 0.2739-0.0000 ( 8258 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0740 -37.0740 -37.0729 -37.0729 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9679 -21.9679 -8.6905 -8.6905 -6.8031 -6.8031 -6.6323 -6.6323 -2.6311 -2.6311 -2.5652 -2.5652 2.0102 2.0102 2.6923 2.6923 4.0104 4.0104 4.1589 4.1589 4.3929 4.3929 4.6730 4.6730 6.5005 6.5005 8.4144 8.4144 8.7097 8.7097 9.5539 9.5539 k = 0.4872 0.2813-0.0000 ( 8262 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0740 -37.0740 -37.0729 -37.0729 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9678 -21.9678 -8.6908 -8.6908 -6.8039 -6.8039 -6.6322 -6.6322 -2.6133 -2.6133 -2.5781 -2.5781 1.9992 1.9992 2.6890 2.6890 4.0458 4.0458 4.1254 4.1254 4.3910 4.3910 4.6681 4.6681 6.4959 6.4959 8.4105 8.4105 8.7062 8.7062 9.5645 9.5645 k = 0.5000 0.2887-0.0000 ( 8260 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0740 -37.0740 -37.0729 -37.0729 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9678 -21.9678 -8.6909 -8.6909 -6.8041 -6.8041 -6.6322 -6.6322 -2.6021 -2.6021 -2.5877 -2.5877 1.9956 1.9956 2.6879 2.6879 4.0695 4.0695 4.1024 4.1024 4.3904 4.3904 4.6665 4.6665 6.4944 6.4944 8.4091 8.4091 8.7051 8.7051 9.5680 9.5680 k = 0.5000 0.2887-0.0000 ( 8260 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0740 -37.0740 -37.0729 -37.0729 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9678 -21.9678 -8.6909 -8.6909 -6.8041 -6.8041 -6.6322 -6.6322 -2.6021 -2.6021 -2.5877 -2.5877 1.9956 1.9956 2.6879 2.6879 4.0695 4.0695 4.1024 4.1024 4.3904 4.3904 4.6665 4.6665 6.4944 6.4944 8.4091 8.4091 8.7051 8.7051 9.5680 9.5680 k = 0.4924 0.3018-0.0000 ( 8256 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0740 -37.0740 -37.0729 -37.0729 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9678 -21.9678 -8.6910 -8.6910 -6.8040 -6.8040 -6.6324 -6.6324 -2.6017 -2.6017 -2.5874 -2.5874 1.9968 1.9968 2.6866 2.6866 4.0657 4.0657 4.1044 4.1044 4.3839 4.3839 4.6659 4.6659 6.5059 6.5059 8.4103 8.4103 8.7077 8.7077 9.5700 9.5700 k = 0.4848 0.3149-0.0000 ( 8259 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0739 -37.0739 -37.0729 -37.0729 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9678 -21.9678 -8.6910 -8.6910 -6.8036 -6.8036 -6.6333 -6.6333 -2.6007 -2.6007 -2.5864 -2.5864 2.0005 2.0005 2.6828 2.6828 4.0551 4.0551 4.1090 4.1090 4.3657 4.3657 4.6640 4.6640 6.5399 6.5399 8.4137 8.4137 8.7152 8.7152 9.5753 9.5753 k = 0.4773 0.3280-0.0000 ( 8251 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0739 -37.0739 -37.0729 -37.0729 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9677 -21.9677 -8.6911 -8.6911 -6.8029 -6.8029 -6.6347 -6.6347 -2.5992 -2.5992 -2.5847 -2.5847 2.0067 2.0067 2.6764 2.6764 4.0370 4.0370 4.1148 4.1148 4.3399 4.3399 4.6608 4.6608 6.5943 6.5943 8.4195 8.4195 8.7271 8.7271 9.5824 9.5824 k = 0.4697 0.3412-0.0000 ( 8255 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0739 -37.0739 -37.0730 -37.0730 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9677 -21.9677 -8.6912 -8.6912 -6.8020 -6.8020 -6.6366 -6.6366 -2.5970 -2.5970 -2.5822 -2.5822 2.0154 2.0154 2.6677 2.6677 4.0090 4.0090 4.1207 4.1207 4.3124 4.3124 4.6562 4.6562 6.6666 6.6666 8.4274 8.4274 8.7427 8.7427 9.5872 9.5872 k = 0.4621 0.3543-0.0000 ( 8253 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0739 -37.0739 -37.0730 -37.0730 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9676 -21.9676 -8.6914 -8.6914 -6.8009 -6.8009 -6.6390 -6.6390 -2.5945 -2.5945 -2.5790 -2.5790 2.0264 2.0264 2.6567 2.6567 3.9680 3.9680 4.1266 4.1266 4.2895 4.2895 4.6501 4.6501 6.7537 6.7537 8.4376 8.4376 8.7607 8.7607 9.5820 9.5820 k = 0.4545 0.3674-0.0000 ( 8251 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0739 -37.0739 -37.0730 -37.0730 -36.7876 -36.7876 -36.7865 -36.7865 -36.7844 -36.7844 -36.7832 -36.7832 -21.9675 -21.9675 -8.6916 -8.6916 -6.7995 -6.7995 -6.6418 -6.6418 -2.5916 -2.5916 -2.5751 -2.5751 2.0398 2.0398 2.6438 2.6438 3.9128 3.9128 4.1324 4.1324 4.2749 4.2749 4.6427 4.6427 6.8529 6.8529 8.4497 8.4497 8.7800 8.7800 9.5557 9.5557 k = 0.4470 0.3805-0.0000 ( 8251 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0739 -37.0739 -37.0730 -37.0730 -36.7876 -36.7876 -36.7865 -36.7865 -36.7844 -36.7844 -36.7832 -36.7832 -21.9674 -21.9674 -8.6918 -8.6918 -6.7979 -6.7979 -6.6450 -6.6450 -2.5885 -2.5885 -2.5704 -2.5704 2.0554 2.0554 2.6291 2.6291 3.8453 3.8453 4.1383 4.1383 4.2690 4.2690 4.6339 4.6339 6.9614 6.9614 8.4638 8.4638 8.7990 8.7990 9.5026 9.5026 k = 0.4394 0.3936-0.0000 ( 8247 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0739 -37.0739 -37.0730 -37.0730 -36.7876 -36.7876 -36.7864 -36.7864 -36.7844 -36.7844 -36.7832 -36.7832 -21.9673 -21.9673 -8.6921 -8.6921 -6.7961 -6.7961 -6.6486 -6.6486 -2.5851 -2.5851 -2.5651 -2.5651 2.0731 2.0731 2.6130 2.6130 3.7688 3.7688 4.1446 4.1446 4.2701 4.2701 4.6241 4.6241 7.0769 7.0769 8.4796 8.4796 8.8166 8.8166 9.4291 9.4291 k = 0.4318 0.4068-0.0000 ( 8249 PWs) bands (ev): -70.1329 -70.1329 -70.1328 -70.1328 -37.0739 -37.0739 -37.0730 -37.0730 -36.7876 -36.7876 -36.7864 -36.7864 -36.7844 -36.7844 -36.7832 -36.7832 -21.9672 -21.9672 -8.6924 -8.6924 -6.7942 -6.7942 -6.6525 -6.6525 -2.5815 -2.5815 -2.5593 -2.5593 2.0929 2.0929 2.5957 2.5957 3.6865 3.6865 4.1517 4.1517 4.2762 4.2762 4.6131 4.6131 7.1975 7.1975 8.4968 8.4968 8.8315 8.8315 9.3452 9.3452 k = 0.4242 0.4199-0.0000 ( 8245 PWs) bands (ev): -70.1329 -70.1329 -70.1328 -70.1328 -37.0738 -37.0738 -37.0730 -37.0730 -36.7876 -36.7876 -36.7864 -36.7864 -36.7844 -36.7844 -36.7832 -36.7832 -21.9671 -21.9671 -8.6927 -8.6927 -6.7921 -6.7921 -6.6566 -6.6566 -2.5778 -2.5778 -2.5530 -2.5530 2.1146 2.1146 2.5777 2.5777 3.6012 3.6012 4.1597 4.1597 4.2855 4.2855 4.6013 4.6013 7.3213 7.3213 8.5152 8.5152 8.8432 8.8432 9.2582 9.2582 k = 0.4167 0.4330-0.0000 ( 8249 PWs) bands (ev): -70.1329 -70.1329 -70.1328 -70.1328 -37.0738 -37.0738 -37.0731 -37.0731 -36.7876 -36.7876 -36.7864 -36.7864 -36.7845 -36.7845 -36.7832 -36.7832 -21.9670 -21.9670 -8.6930 -8.6930 -6.7899 -6.7899 -6.6608 -6.6608 -2.5739 -2.5739 -2.5466 -2.5466 2.1379 2.1379 2.5593 2.5593 3.5150 3.5150 4.1689 4.1689 4.2966 4.2966 4.5886 4.5886 7.4470 7.4470 8.5343 8.5343 8.8514 8.8514 9.1726 9.1726 k = 0.4091 0.4461-0.0000 ( 8261 PWs) bands (ev): -70.1329 -70.1329 -70.1328 -70.1328 -37.0738 -37.0738 -37.0731 -37.0731 -36.7877 -36.7877 -36.7863 -36.7863 -36.7845 -36.7845 -36.7832 -36.7832 -21.9669 -21.9669 -8.6934 -8.6934 -6.7877 -6.7877 -6.6651 -6.6651 -2.5700 -2.5700 -2.5400 -2.5400 2.1625 2.1625 2.5409 2.5409 3.4294 3.4294 4.1793 4.1793 4.3086 4.3086 4.5753 4.5753 7.5730 7.5730 8.5533 8.5533 8.8563 8.8563 9.0918 9.0918 k = 0.4015 0.4593-0.0000 ( 8269 PWs) bands (ev): -70.1329 -70.1329 -70.1328 -70.1328 -37.0738 -37.0738 -37.0731 -37.0731 -36.7877 -36.7877 -36.7863 -36.7863 -36.7845 -36.7845 -36.7832 -36.7832 -21.9668 -21.9668 -8.6937 -8.6937 -6.7855 -6.7855 -6.6693 -6.6693 -2.5659 -2.5659 -2.5335 -2.5335 2.1882 2.1882 2.5231 2.5231 3.3459 3.3459 4.1910 4.1910 4.3208 4.3208 4.5616 4.5616 7.6982 7.6982 8.5710 8.5710 8.8582 8.8582 9.0188 9.0188 k = 0.3939 0.4724-0.0000 ( 8261 PWs) bands (ev): -70.1329 -70.1329 -70.1328 -70.1328 -37.0737 -37.0737 -37.0732 -37.0732 -36.7877 -36.7877 -36.7863 -36.7863 -36.7845 -36.7845 -36.7832 -36.7832 -21.9666 -21.9666 -8.6940 -8.6940 -6.7833 -6.7833 -6.6735 -6.6735 -2.5618 -2.5618 -2.5273 -2.5273 2.2143 2.2143 2.5063 2.5063 3.2656 3.2656 4.2039 4.2039 4.3324 4.3324 4.5475 4.5475 7.8212 7.8212 8.5857 8.5857 8.8575 8.8575 8.9574 8.9574 k = 0.3864 0.4855-0.0000 ( 8251 PWs) bands (ev): -70.1329 -70.1329 -70.1328 -70.1328 -37.0737 -37.0737 -37.0732 -37.0732 -36.7877 -36.7877 -36.7863 -36.7863 -36.7845 -36.7845 -36.7831 -36.7831 -21.9665 -21.9665 -8.6944 -8.6944 -6.7813 -6.7813 -6.6774 -6.6774 -2.5577 -2.5577 -2.5215 -2.5215 2.2402 2.2402 2.4913 2.4913 3.1897 3.1897 4.2178 4.2178 4.3430 4.3430 4.5332 4.5332 7.9403 7.9403 8.5948 8.5948 8.8530 8.8530 8.9131 8.9131 k = 0.3788 0.4986-0.0000 ( 8245 PWs) bands (ev): -70.1329 -70.1329 -70.1328 -70.1328 -37.0737 -37.0737 -37.0732 -37.0732 -36.7877 -36.7877 -36.7862 -36.7862 -36.7846 -36.7846 -36.7831 -36.7831 -21.9664 -21.9664 -8.6947 -8.6947 -6.7794 -6.7794 -6.6810 -6.6810 -2.5536 -2.5536 -2.5163 -2.5163 2.2648 2.2648 2.4788 2.4788 3.1192 3.1192 4.2328 4.2328 4.3521 4.3521 4.5189 4.5189 8.0534 8.0534 8.5963 8.5963 8.8432 8.8432 8.8919 8.8919 k = 0.3712 0.5117-0.0000 ( 8243 PWs) bands (ev): -70.1329 -70.1329 -70.1328 -70.1328 -37.0736 -37.0736 -37.0732 -37.0732 -36.7877 -36.7877 -36.7862 -36.7862 -36.7846 -36.7846 -36.7831 -36.7831 -21.9663 -21.9663 -8.6950 -8.6950 -6.7777 -6.7777 -6.6841 -6.6841 -2.5497 -2.5497 -2.5118 -2.5118 2.2868 2.2868 2.4697 2.4697 3.0555 3.0555 4.2484 4.2484 4.3595 4.3595 4.5048 4.5048 8.1571 8.1571 8.5917 8.5917 8.8334 8.8334 8.8894 8.8894 k = 0.3636 0.5249-0.0000 ( 8251 PWs) bands (ev): -70.1329 -70.1329 -70.1329 -70.1329 -37.0736 -37.0736 -37.0733 -37.0733 -36.7877 -36.7877 -36.7862 -36.7862 -36.7846 -36.7846 -36.7831 -36.7831 -21.9662 -21.9662 -8.6953 -8.6953 -6.7763 -6.7763 -6.6868 -6.6868 -2.5460 -2.5460 -2.5082 -2.5082 2.3046 2.3046 2.4649 2.4649 2.9998 2.9998 4.2642 4.2642 4.3652 4.3652 4.4909 4.4909 8.2453 8.2453 8.5889 8.5889 8.8266 8.8266 8.8979 8.8979 k = 0.3561 0.5380-0.0000 ( 8241 PWs) bands (ev): -70.1329 -70.1329 -70.1329 -70.1329 -37.0736 -37.0736 -37.0733 -37.0733 -36.7877 -36.7877 -36.7862 -36.7862 -36.7846 -36.7846 -36.7831 -36.7831 -21.9662 -21.9662 -8.6955 -8.6955 -6.7752 -6.7752 -6.6890 -6.6890 -2.5426 -2.5426 -2.5055 -2.5055 2.3169 2.3169 2.4644 2.4644 2.9538 2.9538 4.2792 4.2792 4.3696 4.3696 4.4776 4.4776 8.3093 8.3093 8.5998 8.5998 8.8177 8.8177 8.9131 8.9131 k = 0.3485 0.5511-0.0000 ( 8253 PWs) bands (ev): -70.1329 -70.1329 -70.1329 -70.1329 -37.0735 -37.0735 -37.0734 -37.0734 -36.7877 -36.7877 -36.7862 -36.7862 -36.7846 -36.7846 -36.7831 -36.7831 -21.9661 -21.9661 -8.6957 -8.6957 -6.7745 -6.7745 -6.6905 -6.6905 -2.5398 -2.5398 -2.5038 -2.5038 2.3239 2.3239 2.4671 2.4671 2.9195 2.9195 4.2921 4.2921 4.3736 4.3736 4.4652 4.4652 8.3438 8.3438 8.6315 8.6315 8.8003 8.8003 8.9280 8.9280 k = 0.3409 0.5642-0.0000 ( 8249 PWs) bands (ev): -70.1329 -70.1329 -70.1329 -70.1329 -37.0735 -37.0735 -37.0734 -37.0734 -36.7877 -36.7877 -36.7862 -36.7862 -36.7846 -36.7846 -36.7831 -36.7831 -21.9661 -21.9661 -8.6958 -8.6958 -6.7741 -6.7741 -6.6914 -6.6914 -2.5378 -2.5378 -2.5030 -2.5030 2.3269 2.3269 2.4702 2.4702 2.8983 2.8983 4.3007 4.3007 4.3777 4.3777 4.4551 4.4551 8.3559 8.3559 8.6768 8.6768 8.7712 8.7712 8.9356 8.9356 k = 0.3333 0.5774-0.0000 ( 8253 PWs) bands (ev): -70.1329 -70.1329 -70.1329 -70.1329 -37.0735 -37.0735 -37.0734 -37.0734 -36.7877 -36.7877 -36.7862 -36.7862 -36.7846 -36.7846 -36.7831 -36.7831 -21.9661 -21.9661 -8.6958 -8.6958 -6.7739 -6.7739 -6.6917 -6.6917 -2.5370 -2.5370 -2.5028 -2.5028 2.3275 2.3275 2.4715 2.4715 2.8913 2.8913 4.3037 4.3037 4.3801 4.3801 4.4506 4.4506 8.3579 8.3579 8.7123 8.7123 8.7424 8.7424 8.9374 8.9374 k = 0.3333 0.5774-0.0000 ( 8253 PWs) bands (ev): -70.1329 -70.1329 -70.1329 -70.1329 -37.0735 -37.0735 -37.0734 -37.0734 -36.7877 -36.7877 -36.7862 -36.7862 -36.7846 -36.7846 -36.7831 -36.7831 -21.9661 -21.9661 -8.6958 -8.6958 -6.7739 -6.7739 -6.6917 -6.6917 -2.5370 -2.5370 -2.5028 -2.5028 2.3275 2.3275 2.4715 2.4715 2.8913 2.8913 4.3037 4.3037 4.3801 4.3801 4.4506 4.4506 8.3579 8.3579 8.7123 8.7123 8.7424 8.7424 8.9374 8.9374 k = 0.3258 0.5642-0.0000 ( 8249 PWs) bands (ev): -70.1329 -70.1329 -70.1329 -70.1329 -37.0735 -37.0735 -37.0734 -37.0734 -36.7877 -36.7877 -36.7862 -36.7862 -36.7846 -36.7846 -36.7831 -36.7831 -21.9661 -21.9661 -8.6958 -8.6958 -6.7740 -6.7740 -6.6914 -6.6914 -2.5380 -2.5380 -2.5028 -2.5028 2.3273 2.3273 2.4703 2.4703 2.8979 2.8979 4.3009 4.3009 4.3764 4.3764 4.4563 4.4563 8.3576 8.3576 8.6766 8.6766 8.7707 8.7707 8.9350 8.9350 k = 0.3182 0.5511-0.0000 ( 8253 PWs) bands (ev): -70.1329 -70.1329 -70.1329 -70.1329 -37.0735 -37.0735 -37.0733 -37.0733 -36.7877 -36.7877 -36.7862 -36.7862 -36.7846 -36.7846 -36.7831 -36.7831 -21.9661 -21.9661 -8.6956 -8.6956 -6.7743 -6.7743 -6.6906 -6.6906 -2.5414 -2.5414 -2.5026 -2.5026 2.3272 2.3272 2.4675 2.4675 2.9164 2.9164 4.2932 4.2932 4.3659 4.3659 4.4722 4.4722 8.3583 8.3583 8.6261 8.6261 8.7954 8.7954 8.9265 8.9265 k = 0.3106 0.5380-0.0000 ( 8253 PWs) bands (ev): -70.1329 -70.1329 -70.1329 -70.1329 -37.0736 -37.0736 -37.0733 -37.0733 -36.7877 -36.7877 -36.7862 -36.7862 -36.7846 -36.7846 -36.7831 -36.7831 -21.9662 -21.9662 -8.6954 -8.6954 -6.7746 -6.7746 -6.6894 -6.6894 -2.5477 -2.5477 -2.5018 -2.5018 2.3279 2.3279 2.4650 2.4650 2.9442 2.9442 4.2810 4.2810 4.3522 4.3522 4.4948 4.4948 8.3602 8.3602 8.5741 8.5741 8.7937 8.7937 8.9222 8.9222 k = 0.3030 0.5249-0.0000 ( 8245 PWs) bands (ev): -70.1329 -70.1329 -70.1328 -70.1328 -37.0736 -37.0736 -37.0733 -37.0733 -36.7877 -36.7877 -36.7862 -36.7862 -36.7846 -36.7846 -36.7831 -36.7831 -21.9663 -21.9663 -8.6951 -8.6951 -6.7749 -6.7749 -6.6879 -6.6879 -2.5567 -2.5567 -2.5006 -2.5006 2.3298 2.3298 2.4647 2.4647 2.9791 2.9791 4.2638 4.2638 4.3385 4.3385 4.5216 4.5216 8.3613 8.3613 8.5228 8.5228 8.7646 8.7646 8.9328 8.9328 k = 0.2955 0.5117-0.0000 ( 8247 PWs) bands (ev): -70.1329 -70.1329 -70.1328 -70.1328 -37.0737 -37.0737 -37.0732 -37.0732 -36.7877 -36.7877 -36.7862 -36.7862 -36.7846 -36.7846 -36.7831 -36.7831 -21.9664 -21.9664 -8.6946 -8.6946 -6.7752 -6.7752 -6.6861 -6.6861 -2.5686 -2.5686 -2.4990 -2.4990 2.3334 2.3334 2.4680 2.4680 3.0189 3.0189 4.2418 4.2418 4.3269 4.3269 4.5513 4.5513 8.3567 8.3567 8.4739 8.4739 8.7276 8.7276 8.9503 8.9503 k = 0.2879 0.4986-0.0000 ( 8249 PWs) bands (ev): -70.1329 -70.1329 -70.1328 -70.1328 -37.0737 -37.0737 -37.0732 -37.0732 -36.7877 -36.7877 -36.7862 -36.7862 -36.7846 -36.7846 -36.7831 -36.7831 -21.9666 -21.9666 -8.6940 -8.6940 -6.7752 -6.7752 -6.6841 -6.6841 -2.5830 -2.5830 -2.4972 -2.4972 2.3392 2.3392 2.4758 2.4758 3.0620 3.0620 4.2154 4.2154 4.3181 4.3181 4.5831 4.5831 8.3395 8.3395 8.4290 8.4290 8.6993 8.6993 8.9676 8.9676 k = 0.2803 0.4855-0.0000 ( 8239 PWs) bands (ev): -70.1329 -70.1329 -70.1328 -70.1328 -37.0738 -37.0738 -37.0731 -37.0731 -36.7877 -36.7877 -36.7862 -36.7862 -36.7845 -36.7845 -36.7831 -36.7831 -21.9667 -21.9667 -8.6933 -8.6933 -6.7750 -6.7750 -6.6819 -6.6819 -2.5999 -2.5999 -2.4954 -2.4954 2.3478 2.3478 2.4882 2.4882 3.1071 3.1071 4.1860 4.1860 4.3121 4.3121 4.6167 4.6167 8.3062 8.3062 8.3869 8.3869 8.6888 8.6888 8.9822 8.9822 k = 0.2727 0.4724-0.0000 ( 8255 PWs) bands (ev): -70.1329 -70.1329 -70.1328 -70.1328 -37.0738 -37.0738 -37.0731 -37.0731 -36.7877 -36.7877 -36.7863 -36.7863 -36.7845 -36.7845 -36.7831 -36.7831 -21.9670 -21.9670 -8.6924 -8.6924 -6.7745 -6.7745 -6.6797 -6.6797 -2.6192 -2.6192 -2.4937 -2.4937 2.3598 2.3598 2.5055 2.5055 3.1530 3.1530 4.1551 4.1551 4.3088 4.3088 4.6518 4.6518 8.2612 8.2612 8.3430 8.3430 8.6976 8.6976 8.9934 8.9934 k = 0.2652 0.4593-0.0000 ( 8255 PWs) bands (ev): -70.1329 -70.1329 -70.1328 -70.1328 -37.0739 -37.0739 -37.0730 -37.0730 -36.7877 -36.7877 -36.7863 -36.7863 -36.7845 -36.7845 -36.7831 -36.7831 -21.9672 -21.9672 -8.6914 -8.6914 -6.7737 -6.7737 -6.6774 -6.6774 -2.6406 -2.6406 -2.4920 -2.4920 2.3753 2.3753 2.5273 2.5273 3.1985 3.1985 4.1239 4.1239 4.3080 4.3080 4.6884 4.6884 8.2099 8.2099 8.2964 8.2964 8.7210 8.7210 9.0013 9.0013 k = 0.2576 0.4461-0.0000 ( 8251 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0739 -37.0739 -37.0730 -37.0730 -36.7877 -36.7877 -36.7863 -36.7863 -36.7845 -36.7845 -36.7831 -36.7831 -21.9675 -21.9675 -8.6903 -8.6903 -6.7726 -6.7726 -6.6751 -6.6751 -2.6642 -2.6642 -2.4905 -2.4905 2.3948 2.3948 2.5535 2.5535 3.2425 3.2425 4.0942 4.0942 4.3099 4.3099 4.7261 4.7261 8.1555 8.1555 8.2488 8.2488 8.7531 8.7531 9.0073 9.0073 k = 0.2500 0.4330-0.0000 ( 8253 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0739 -37.0739 -37.0729 -37.0729 -36.7877 -36.7877 -36.7863 -36.7863 -36.7845 -36.7845 -36.7831 -36.7831 -21.9678 -21.9678 -8.6890 -8.6890 -6.7712 -6.7712 -6.6728 -6.6728 -2.6897 -2.6897 -2.4891 -2.4891 2.4181 2.4181 2.5840 2.5840 3.2837 3.2837 4.0676 4.0676 4.3144 4.3144 4.7650 4.7650 8.0995 8.0995 8.2020 8.2020 8.7874 8.7874 9.0133 9.0133 k = 0.2424 0.4199-0.0000 ( 8261 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0740 -37.0740 -37.0729 -37.0729 -36.7877 -36.7877 -36.7864 -36.7864 -36.7845 -36.7845 -36.7832 -36.7832 -21.9682 -21.9682 -8.6876 -8.6876 -6.7694 -6.7694 -6.6704 -6.6704 -2.7170 -2.7170 -2.4878 -2.4878 2.4451 2.4451 2.6186 2.6186 3.3208 3.3208 4.0459 4.0459 4.3217 4.3217 4.8049 4.8049 8.0433 8.0433 8.1572 8.1572 8.8173 8.8173 9.0230 9.0230 k = 0.2348 0.4068-0.0000 ( 8261 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0740 -37.0740 -37.0728 -37.0728 -36.7877 -36.7877 -36.7864 -36.7864 -36.7844 -36.7844 -36.7832 -36.7832 -21.9685 -21.9685 -8.6860 -8.6860 -6.7672 -6.7672 -6.6681 -6.6681 -2.7460 -2.7460 -2.4867 -2.4867 2.4753 2.4753 2.6570 2.6570 3.3524 3.3524 4.0311 4.0311 4.3318 4.3318 4.8456 4.8456 7.9879 7.9879 8.1145 8.1145 8.8361 8.8361 9.0405 9.0405 k = 0.2273 0.3936-0.0000 ( 8269 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0741 -37.0741 -37.0728 -37.0728 -36.7877 -36.7877 -36.7864 -36.7864 -36.7844 -36.7844 -36.7832 -36.7832 -21.9689 -21.9689 -8.6843 -8.6843 -6.7647 -6.7647 -6.6657 -6.6657 -2.7764 -2.7764 -2.4858 -2.4858 2.5080 2.5080 2.6993 2.6993 3.3776 3.3776 4.0248 4.0248 4.3449 4.3449 4.8871 4.8871 7.9342 7.9342 8.0743 8.0743 8.8406 8.8406 9.0662 9.0662 k = 0.2197 0.3805-0.0000 ( 8273 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0741 -37.0741 -37.0727 -37.0727 -36.7876 -36.7876 -36.7864 -36.7864 -36.7844 -36.7844 -36.7832 -36.7832 -21.9694 -21.9694 -8.6825 -8.6825 -6.7620 -6.7620 -6.6633 -6.6633 -2.8081 -2.8081 -2.4850 -2.4850 2.5423 2.5423 2.7451 2.7451 3.3965 3.3965 4.0282 4.0282 4.3610 4.3610 4.9293 4.9293 7.8828 7.8828 8.0366 8.0366 8.8323 8.8323 9.0954 9.0954 k = 0.2121 0.3674-0.0000 ( 8283 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0742 -37.0742 -37.0727 -37.0727 -36.7876 -36.7876 -36.7864 -36.7864 -36.7844 -36.7844 -36.7832 -36.7832 -21.9698 -21.9698 -8.6806 -8.6806 -6.7590 -6.7590 -6.6609 -6.6609 -2.8410 -2.8410 -2.4844 -2.4844 2.5766 2.5766 2.7946 2.7946 3.4100 3.4100 4.0414 4.0414 4.3803 4.3803 4.9720 4.9720 7.8343 7.8343 8.0014 8.0014 8.8148 8.8148 9.1211 9.1211 k = 0.2045 0.3543-0.0000 ( 8275 PWs) bands (ev): -70.1330 -70.1330 -70.1327 -70.1327 -37.0742 -37.0742 -37.0726 -37.0726 -36.7876 -36.7876 -36.7864 -36.7864 -36.7844 -36.7844 -36.7832 -36.7832 -21.9703 -21.9703 -8.6785 -8.6785 -6.7558 -6.7558 -6.6583 -6.6583 -2.8747 -2.8747 -2.4839 -2.4839 2.6094 2.6094 2.8474 2.8474 3.4208 3.4208 4.0636 4.0636 4.4027 4.4027 5.0151 5.0151 7.7890 7.7890 7.9689 7.9689 8.7909 8.7909 9.1370 9.1370 k = 0.1970 0.3412-0.0000 ( 8263 PWs) bands (ev): -70.1330 -70.1330 -70.1327 -70.1327 -37.0743 -37.0743 -37.0726 -37.0726 -36.7876 -36.7876 -36.7864 -36.7864 -36.7844 -36.7844 -36.7832 -36.7832 -21.9708 -21.9708 -8.6764 -8.6764 -6.7525 -6.7525 -6.6556 -6.6556 -2.9092 -2.9092 -2.4835 -2.4835 2.6384 2.6384 2.9038 2.9038 3.4322 3.4322 4.0932 4.0932 4.4285 4.4285 5.0584 5.0584 7.7472 7.7472 7.9390 7.9390 8.7626 8.7626 9.1388 9.1388 k = 0.1894 0.3280-0.0000 ( 8259 PWs) bands (ev): -70.1330 -70.1330 -70.1327 -70.1327 -37.0743 -37.0743 -37.0725 -37.0725 -36.7876 -36.7876 -36.7864 -36.7864 -36.7844 -36.7844 -36.7832 -36.7832 -21.9714 -21.9714 -8.6742 -8.6742 -6.7490 -6.7490 -6.6527 -6.6527 -2.9442 -2.9442 -2.4832 -2.4832 2.6614 2.6614 2.9635 2.9635 3.4479 3.4479 4.1285 4.1285 4.4574 4.4574 5.1018 5.1018 7.7091 7.7091 7.9120 7.9120 8.7310 8.7310 9.1249 9.1249 k = 0.1818 0.3149-0.0000 ( 8265 PWs) bands (ev): -70.1330 -70.1330 -70.1327 -70.1327 -37.0743 -37.0743 -37.0725 -37.0725 -36.7876 -36.7876 -36.7864 -36.7864 -36.7844 -36.7844 -36.7832 -36.7832 -21.9719 -21.9719 -8.6719 -8.6719 -6.7456 -6.7456 -6.6496 -6.6496 -2.9796 -2.9796 -2.4830 -2.4830 2.6764 2.6764 3.0265 3.0265 3.4715 3.4715 4.1676 4.1676 4.4896 4.4896 5.1451 5.1451 7.6748 7.6748 7.8877 7.8877 8.6969 8.6969 9.0965 9.0965 k = 0.1742 0.3018-0.0000 ( 8265 PWs) bands (ev): -70.1330 -70.1330 -70.1327 -70.1327 -37.0744 -37.0744 -37.0724 -37.0724 -36.7876 -36.7876 -36.7864 -36.7864 -36.7844 -36.7844 -36.7831 -36.7831 -21.9725 -21.9725 -8.6696 -8.6696 -6.7423 -6.7423 -6.6462 -6.6462 -3.0151 -3.0151 -2.4829 -2.4829 2.6821 2.6821 3.0928 3.0928 3.5053 3.5053 4.2092 4.2092 4.5250 4.5250 5.1881 5.1881 7.6444 7.6444 7.8664 7.8664 8.6610 8.6610 9.0570 9.0570 k = 0.1667 0.2887-0.0000 ( 8265 PWs) bands (ev): -70.1331 -70.1331 -70.1327 -70.1327 -37.0744 -37.0744 -37.0724 -37.0724 -36.7876 -36.7876 -36.7864 -36.7864 -36.7844 -36.7844 -36.7831 -36.7831 -21.9730 -21.9730 -8.6672 -8.6672 -6.7391 -6.7391 -6.6424 -6.6424 -3.0505 -3.0505 -2.4829 -2.4829 2.6784 2.6784 3.1621 3.1621 3.5506 3.5506 4.2521 4.2521 4.5636 4.5636 5.2307 5.2307 7.6179 7.6179 7.8481 7.8481 8.6238 8.6238 9.0100 9.0100 k = 0.1591 0.2756-0.0000 ( 8257 PWs) bands (ev): -70.1331 -70.1331 -70.1327 -70.1327 -37.0745 -37.0745 -37.0723 -37.0723 -36.7876 -36.7876 -36.7864 -36.7864 -36.7843 -36.7843 -36.7831 -36.7831 -21.9736 -21.9736 -8.6648 -8.6648 -6.7361 -6.7361 -6.6382 -6.6382 -3.0858 -3.0858 -2.4830 -2.4830 2.6660 2.6660 3.2343 3.2343 3.6072 3.6072 4.2952 4.2952 4.6054 4.6054 5.2727 5.2727 7.5951 7.5951 7.8327 7.8327 8.5856 8.5856 8.9590 8.9590 k = 0.1515 0.2624-0.0000 ( 8249 PWs) bands (ev): -70.1331 -70.1331 -70.1327 -70.1327 -37.0745 -37.0745 -37.0723 -37.0723 -36.7876 -36.7876 -36.7864 -36.7864 -36.7843 -36.7843 -36.7831 -36.7831 -21.9742 -21.9742 -8.6624 -8.6624 -6.7334 -6.7334 -6.6336 -6.6336 -3.1207 -3.1207 -2.4831 -2.4831 2.6464 2.6464 3.3091 3.3091 3.6742 3.6742 4.3380 4.3380 4.6502 4.6502 5.3139 5.3139 7.5758 7.5758 7.8201 7.8201 8.5467 8.5467 8.9071 8.9071 k = 0.1439 0.2493-0.0000 ( 8253 PWs) bands (ev): -70.1331 -70.1331 -70.1327 -70.1327 -37.0745 -37.0745 -37.0722 -37.0722 -36.7876 -36.7876 -36.7864 -36.7864 -36.7844 -36.7844 -36.7831 -36.7831 -21.9748 -21.9748 -8.6600 -8.6600 -6.7310 -6.7310 -6.6285 -6.6285 -3.1550 -3.1550 -2.4833 -2.4833 2.6211 2.6211 3.3861 3.3861 3.7504 3.7504 4.3796 4.3796 4.6979 4.6979 5.3542 5.3542 7.5596 7.5596 7.8101 7.8101 8.5077 8.5077 8.8563 8.8563 k = 0.1364 0.2362-0.0000 ( 8243 PWs) bands (ev): -70.1331 -70.1331 -70.1327 -70.1327 -37.0746 -37.0746 -37.0722 -37.0722 -36.7876 -36.7876 -36.7863 -36.7863 -36.7843 -36.7843 -36.7831 -36.7831 -21.9754 -21.9754 -8.6576 -8.6576 -6.7290 -6.7290 -6.6231 -6.6231 -3.1887 -3.1887 -2.4836 -2.4836 2.5918 2.5918 3.4652 3.4652 3.8345 3.8345 4.4198 4.4198 4.7487 4.7487 5.3935 5.3935 7.5461 7.5461 7.8023 7.8023 8.4688 8.4688 8.8083 8.8083 k = 0.1288 0.2231-0.0000 ( 8235 PWs) bands (ev): -70.1331 -70.1331 -70.1327 -70.1327 -37.0746 -37.0746 -37.0721 -37.0721 -36.7876 -36.7876 -36.7863 -36.7863 -36.7844 -36.7844 -36.7831 -36.7831 -21.9759 -21.9759 -8.6552 -8.6552 -6.7273 -6.7273 -6.6173 -6.6173 -3.2215 -3.2215 -2.4839 -2.4839 2.5597 2.5597 3.5459 3.5459 3.9250 3.9250 4.4582 4.4582 4.8022 4.8022 5.4316 5.4316 7.5346 7.5346 7.7962 7.7962 8.4305 8.4305 8.7642 8.7642 k = 0.1212 0.2099-0.0000 ( 8231 PWs) bands (ev): -70.1331 -70.1331 -70.1327 -70.1327 -37.0746 -37.0746 -37.0721 -37.0721 -36.7876 -36.7876 -36.7863 -36.7863 -36.7844 -36.7844 -36.7830 -36.7830 -21.9765 -21.9765 -8.6530 -8.6530 -6.7258 -6.7258 -6.6112 -6.6112 -3.2532 -3.2532 -2.4842 -2.4842 2.5261 2.5261 3.6279 3.6279 4.0208 4.0208 4.4947 4.4947 4.8585 4.8585 5.4685 5.4685 7.5246 7.5246 7.7909 7.7909 8.3932 8.3932 8.7247 8.7247 k = 0.1136 0.1968-0.0000 ( 8231 PWs) bands (ev): -70.1331 -70.1331 -70.1327 -70.1327 -37.0746 -37.0746 -37.0721 -37.0721 -36.7876 -36.7876 -36.7863 -36.7863 -36.7844 -36.7844 -36.7830 -36.7830 -21.9771 -21.9771 -8.6507 -8.6507 -6.7247 -6.7247 -6.6049 -6.6049 -3.2839 -3.2839 -2.4846 -2.4846 2.4917 2.4917 3.7107 3.7107 4.1205 4.1205 4.5291 4.5291 4.9174 4.9174 5.5041 5.5041 7.5153 7.5153 7.7850 7.7850 8.3574 8.3574 8.6897 8.6897 k = 0.1061 0.1837-0.0000 ( 8241 PWs) bands (ev): -70.1331 -70.1331 -70.1327 -70.1327 -37.0747 -37.0747 -37.0720 -37.0720 -36.7877 -36.7877 -36.7862 -36.7862 -36.7844 -36.7844 -36.7830 -36.7830 -21.9776 -21.9776 -8.6486 -8.6486 -6.7239 -6.7239 -6.5984 -6.5984 -3.3132 -3.3132 -2.4849 -2.4849 2.4574 2.4574 3.7941 3.7941 4.2229 4.2229 4.5617 4.5617 4.9787 4.9787 5.5385 5.5385 7.5058 7.5058 7.7768 7.7768 8.3233 8.3233 8.6565 8.6565 k = 0.0985 0.1706-0.0000 ( 8237 PWs) bands (ev): -70.1331 -70.1331 -70.1327 -70.1327 -37.0747 -37.0747 -37.0720 -37.0720 -36.7877 -36.7877 -36.7862 -36.7862 -36.7844 -36.7844 -36.7830 -36.7830 -21.9781 -21.9781 -8.6465 -8.6465 -6.7233 -6.7233 -6.5918 -6.5918 -3.3411 -3.3411 -2.4853 -2.4853 2.4237 2.4237 3.8773 3.8773 4.3263 4.3263 4.5932 4.5932 5.0424 5.0424 5.5716 5.5716 7.4957 7.4957 7.7640 7.7640 8.2908 8.2908 8.6097 8.6097 k = 0.0909 0.1575-0.0000 ( 8231 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0747 -37.0747 -37.0720 -37.0720 -36.7877 -36.7877 -36.7862 -36.7862 -36.7844 -36.7844 -36.7830 -36.7830 -21.9786 -21.9786 -8.6446 -8.6446 -6.7229 -6.7229 -6.5852 -6.5852 -3.3675 -3.3675 -2.4857 -2.4857 2.3911 2.3911 3.9598 3.9598 4.4281 4.4281 4.6249 4.6249 5.1083 5.1083 5.6037 5.6037 7.4842 7.4842 7.7440 7.7440 8.2599 8.2599 8.5496 8.5496 k = 0.0833 0.1443-0.0000 ( 8227 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0747 -37.0747 -37.0720 -37.0720 -36.7877 -36.7877 -36.7862 -36.7862 -36.7844 -36.7844 -36.7830 -36.7830 -21.9791 -21.9791 -8.6428 -8.6428 -6.7227 -6.7227 -6.5788 -6.5788 -3.3923 -3.3923 -2.4861 -2.4861 2.3600 2.3600 4.0409 4.0409 4.5231 4.5231 4.6611 4.6611 5.1764 5.1764 5.6348 5.6348 7.4710 7.4710 7.7145 7.7145 8.2300 8.2300 8.4981 8.4981 k = 0.0758 0.1312-0.0000 ( 8219 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0747 -37.0747 -37.0719 -37.0719 -36.7877 -36.7877 -36.7861 -36.7861 -36.7844 -36.7844 -36.7830 -36.7830 -21.9795 -21.9795 -8.6411 -8.6411 -6.7226 -6.7226 -6.5725 -6.5725 -3.4153 -3.4153 -2.4865 -2.4865 2.3307 2.3307 4.1195 4.1195 4.5994 4.5994 4.7121 4.7121 5.2467 5.2467 5.6651 5.6651 7.4558 7.4558 7.6743 7.6743 8.2000 8.2000 8.4608 8.4608 k = 0.0682 0.1181-0.0000 ( 8207 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0747 -37.0747 -37.0719 -37.0719 -36.7877 -36.7877 -36.7861 -36.7861 -36.7844 -36.7844 -36.7829 -36.7829 -21.9799 -21.9799 -8.6395 -8.6395 -6.7225 -6.7225 -6.5665 -6.5665 -3.4364 -3.4364 -2.4869 -2.4869 2.3035 2.3035 4.1946 4.1946 4.6483 4.6483 4.7855 4.7855 5.3194 5.3194 5.6946 5.6946 7.4385 7.4385 7.6240 7.6240 8.1689 8.1689 8.4379 8.4379 k = 0.0606 0.1050-0.0000 ( 8199 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0718 -37.0718 -36.7877 -36.7877 -36.7861 -36.7861 -36.7845 -36.7845 -36.7829 -36.7829 -21.9803 -21.9803 -8.6381 -8.6381 -6.7226 -6.7226 -6.5610 -6.5610 -3.4555 -3.4555 -2.4872 -2.4872 2.2787 2.2787 4.2648 4.2648 4.6810 4.6810 4.8681 4.8681 5.3947 5.3947 5.7235 5.7235 7.4191 7.4191 7.5661 7.5661 8.1350 8.1350 8.4266 8.4266 k = 0.0530 0.0919-0.0000 ( 8197 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0718 -37.0718 -36.7877 -36.7877 -36.7861 -36.7861 -36.7845 -36.7845 -36.7829 -36.7829 -21.9806 -21.9806 -8.6369 -8.6369 -6.7227 -6.7227 -6.5558 -6.5558 -3.4727 -3.4727 -2.4876 -2.4876 2.2563 2.2563 4.3286 4.3286 4.7083 4.7083 4.9477 4.9477 5.4724 5.4724 5.7515 5.7515 7.3974 7.3974 7.5041 7.5041 8.0964 8.0964 8.4227 8.4227 k = 0.0455 0.0787-0.0000 ( 8197 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0718 -37.0718 -36.7877 -36.7877 -36.7860 -36.7860 -36.7845 -36.7845 -36.7829 -36.7829 -21.9809 -21.9809 -8.6357 -8.6357 -6.7229 -6.7229 -6.5512 -6.5512 -3.4877 -3.4877 -2.4878 -2.4878 2.2366 2.2366 4.3845 4.3845 4.7341 4.7341 5.0189 5.0189 5.5518 5.5518 5.7784 5.7784 7.3734 7.3734 7.4417 7.4417 8.0518 8.0518 8.4207 8.4207 k = 0.0379 0.0656-0.0000 ( 8197 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0718 -37.0718 -36.7877 -36.7877 -36.7860 -36.7860 -36.7845 -36.7845 -36.7829 -36.7829 -21.9812 -21.9812 -8.6348 -8.6348 -6.7230 -6.7230 -6.5472 -6.5472 -3.5005 -3.5005 -2.4881 -2.4881 2.2197 2.2197 4.4312 4.4312 4.7595 4.7595 5.0793 5.0793 5.6311 5.6311 5.8035 5.8035 7.3472 7.3472 7.3826 7.3826 8.0017 8.0017 8.4149 8.4149 k = 0.0303 0.0525-0.0000 ( 8175 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0718 -37.0718 -36.7877 -36.7877 -36.7860 -36.7860 -36.7845 -36.7845 -36.7828 -36.7828 -21.9814 -21.9814 -8.6340 -8.6340 -6.7232 -6.7232 -6.5438 -6.5438 -3.5111 -3.5111 -2.4883 -2.4883 2.2058 2.2058 4.4682 4.4682 4.7842 4.7842 5.1280 5.1280 5.7071 5.7071 5.8262 5.8262 7.3186 7.3186 7.3306 7.3306 7.9496 7.9496 8.4019 8.4019 k = 0.0227 0.0394-0.0000 ( 8181 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0717 -37.0717 -36.7877 -36.7877 -36.7860 -36.7860 -36.7845 -36.7845 -36.7828 -36.7828 -21.9815 -21.9815 -8.6334 -8.6334 -6.7233 -6.7233 -6.5412 -6.5412 -3.5193 -3.5193 -2.4885 -2.4885 2.1948 2.1948 4.4955 4.4955 4.8067 4.8067 5.1651 5.1651 5.7749 5.7749 5.8456 5.8456 7.2830 7.2830 7.2945 7.2945 7.9012 7.9012 8.3826 8.3826 k = 0.0152 0.0262-0.0000 ( 8175 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0717 -37.0717 -36.7877 -36.7877 -36.7860 -36.7860 -36.7845 -36.7845 -36.7828 -36.7828 -21.9816 -21.9816 -8.6330 -8.6330 -6.7234 -6.7234 -6.5392 -6.5392 -3.5253 -3.5253 -2.4886 -2.4886 2.1870 2.1870 4.5141 4.5141 4.8251 4.8251 5.1910 5.1910 5.8283 5.8283 5.8616 5.8616 7.2506 7.2506 7.2692 7.2692 7.8625 7.8625 8.3583 8.3583 k = 0.0076 0.0131-0.0000 ( 8163 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0717 -37.0717 -36.7877 -36.7877 -36.7860 -36.7860 -36.7845 -36.7845 -36.7828 -36.7828 -21.9817 -21.9817 -8.6327 -8.6327 -6.7234 -6.7234 -6.5381 -6.5381 -3.5288 -3.5288 -2.4887 -2.4887 2.1822 2.1822 4.5248 4.5248 4.8370 4.8370 5.2062 5.2062 5.8579 5.8579 5.8771 5.8771 7.2301 7.2301 7.2518 7.2518 7.8378 7.8378 8.3427 8.3428 k = 0.0000 0.0000 0.0000 ( 8161 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0717 -37.0717 -36.7877 -36.7877 -36.7860 -36.7860 -36.7845 -36.7845 -36.7828 -36.7828 -21.9817 -21.9817 -8.6326 -8.6326 -6.7235 -6.7235 -6.5377 -6.5377 -3.5300 -3.5300 -2.4887 -2.4887 2.1807 2.1807 4.5283 4.5283 4.8412 4.8412 5.2113 5.2113 5.8646 5.8646 5.8860 5.8860 7.2232 7.2232 7.2454 7.2454 7.8294 7.8294 8.3375 8.3375 k = 0.0000 0.0000 0.0000 ( 8161 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0717 -37.0717 -36.7877 -36.7877 -36.7860 -36.7860 -36.7845 -36.7845 -36.7828 -36.7828 -21.9817 -21.9817 -8.6326 -8.6326 -6.7235 -6.7235 -6.5377 -6.5377 -3.5300 -3.5300 -2.4887 -2.4887 2.1807 2.1807 4.5283 4.5283 4.8412 4.8412 5.2113 5.2113 5.8646 5.8646 5.8860 5.8860 7.2232 7.2232 7.2454 7.2454 7.8294 7.8294 8.3375 8.3375 k = 0.0000 0.0000 0.0147 ( 8179 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0717 -37.0717 -36.7877 -36.7877 -36.7860 -36.7860 -36.7845 -36.7845 -36.7828 -36.7828 -21.9817 -21.9817 -8.6326 -8.6326 -6.7235 -6.7235 -6.5377 -6.5377 -3.5287 -3.5287 -2.4906 -2.4906 2.1841 2.1841 4.5293 4.5293 4.8423 4.8423 5.2062 5.2062 5.8530 5.8530 5.8833 5.8833 7.2072 7.2072 7.2766 7.2766 7.8310 7.8310 8.3368 8.3368 k = 0.0000 0.0000 0.0294 ( 8179 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0717 -37.0717 -36.7877 -36.7877 -36.7860 -36.7860 -36.7845 -36.7845 -36.7828 -36.7828 -21.9817 -21.9817 -8.6327 -8.6327 -6.7237 -6.7237 -6.5377 -6.5377 -3.5249 -3.5249 -2.4963 -2.4963 2.1944 2.1944 4.5323 4.5323 4.8455 4.8455 5.1910 5.1910 5.8199 5.8199 5.8753 5.8753 7.1927 7.1927 7.3348 7.3348 7.8360 7.8360 8.3347 8.3347 k = 0.0000 0.0000 0.0442 ( 8185 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0717 -37.0717 -36.7877 -36.7877 -36.7860 -36.7860 -36.7845 -36.7845 -36.7828 -36.7828 -21.9817 -21.9817 -8.6327 -8.6327 -6.7239 -6.7239 -6.5377 -6.5377 -3.5185 -3.5185 -2.5058 -2.5058 2.2115 2.2115 4.5373 4.5373 4.8508 4.8508 5.1650 5.1650 5.7702 5.7702 5.8622 5.8622 7.1828 7.1828 7.4123 7.4123 7.8443 7.8443 8.3307 8.3307 k = 0.0000 0.0000 0.0589 ( 8185 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0717 -37.0717 -36.7877 -36.7877 -36.7860 -36.7860 -36.7845 -36.7845 -36.7828 -36.7828 -21.9817 -21.9817 -8.6327 -8.6327 -6.7242 -6.7242 -6.5377 -6.5377 -3.5096 -3.5096 -2.5189 -2.5189 2.2352 2.2352 4.5443 4.5443 4.8583 4.8583 5.1279 5.1279 5.7100 5.7100 5.8443 5.8443 7.1754 7.1754 7.5057 7.5057 7.8563 7.8563 8.3243 8.3244 k = 0.0000 0.0000 0.0736 ( 8185 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0717 -37.0717 -36.7877 -36.7877 -36.7860 -36.7860 -36.7845 -36.7845 -36.7828 -36.7828 -21.9817 -21.9817 -8.6328 -8.6328 -6.7246 -6.7246 -6.5377 -6.5377 -3.4982 -3.4982 -2.5354 -2.5354 2.2653 2.2653 4.5532 4.5532 4.8679 4.8679 5.0789 5.0789 5.6451 5.6451 5.8220 5.8220 7.1690 7.1690 7.6101 7.6101 7.8731 7.8731 8.3155 8.3155 k = 0.0000 0.0000 0.0883 ( 8185 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0717 -37.0717 -36.7877 -36.7877 -36.7860 -36.7860 -36.7845 -36.7845 -36.7828 -36.7828 -21.9817 -21.9817 -8.6328 -8.6328 -6.7251 -6.7251 -6.5377 -6.5377 -3.4845 -3.4845 -2.5551 -2.5551 2.3017 2.3017 4.5639 4.5639 4.8795 4.8795 5.0181 5.0181 5.5797 5.5797 5.7957 5.7957 7.1631 7.1631 7.7177 7.7177 7.8987 7.8987 8.3043 8.3043 k = 0.0000 0.0000 0.1031 ( 8185 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0717 -37.0717 -36.7877 -36.7877 -36.7860 -36.7860 -36.7845 -36.7845 -36.7828 -36.7828 -21.9817 -21.9817 -8.6329 -8.6329 -6.7256 -6.7256 -6.5377 -6.5377 -3.4684 -3.4684 -2.5779 -2.5779 2.3439 2.3439 4.5763 4.5763 4.8933 4.8933 4.9462 4.9462 5.5169 5.5169 5.7659 5.7659 7.1575 7.1575 7.8103 7.8103 7.9480 7.9480 8.2909 8.2910 k = 0.0000 0.0000 0.1178 ( 8185 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0718 -37.0718 -36.7877 -36.7877 -36.7860 -36.7860 -36.7845 -36.7845 -36.7828 -36.7828 -21.9817 -21.9817 -8.6330 -8.6330 -6.7262 -6.7262 -6.5377 -6.5377 -3.4501 -3.4501 -2.6033 -2.6033 2.3917 2.3917 4.5899 4.5899 4.8648 4.8648 4.9090 4.9090 5.4578 5.4578 5.7332 5.7332 7.1520 7.1520 7.8648 7.8648 8.0410 8.0410 8.2734 8.2735 k = 0.0000 0.0000 0.1325 ( 8161 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0717 -37.0717 -36.7877 -36.7877 -36.7860 -36.7860 -36.7845 -36.7845 -36.7828 -36.7828 -21.9817 -21.9817 -8.6330 -8.6330 -6.7268 -6.7268 -6.5377 -6.5377 -3.4297 -3.4297 -2.6312 -2.6312 2.4446 2.4446 4.6034 4.6034 4.7774 4.7774 4.9268 4.9268 5.4025 5.4025 5.6981 5.6981 7.1467 7.1467 7.8953 7.8953 8.1585 8.1585 8.2553 8.2553 k = 0.0000 0.0000 0.1472 ( 8179 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0718 -37.0718 -36.7877 -36.7877 -36.7860 -36.7860 -36.7845 -36.7845 -36.7828 -36.7828 -21.9817 -21.9817 -8.6331 -8.6331 -6.7274 -6.7274 -6.5377 -6.5377 -3.4073 -3.4073 -2.6612 -2.6612 2.5022 2.5022 4.6073 4.6073 4.6956 4.6956 4.9464 4.9464 5.3507 5.3507 5.6611 5.6611 7.1417 7.1417 7.9181 7.9181 8.2295 8.2295 8.2371 8.2371 k = 0.0000 0.0000 0.1619 ( 8167 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0718 -37.0718 -36.7877 -36.7877 -36.7860 -36.7860 -36.7845 -36.7845 -36.7828 -36.7828 -21.9817 -21.9817 -8.6332 -8.6332 -6.7280 -6.7280 -6.5377 -6.5377 -3.3831 -3.3831 -2.6929 -2.6929 2.5639 2.5639 4.5543 4.5543 4.6687 4.6687 4.9680 4.9680 5.3016 5.3016 5.6226 5.6226 7.1370 7.1370 7.9381 7.9381 8.2195 8.2195 8.2210 8.2210 k = 0.0000 0.0000 0.1767 ( 8180 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0718 -37.0718 -36.7877 -36.7877 -36.7860 -36.7860 -36.7845 -36.7845 -36.7829 -36.7829 -21.9817 -21.9817 -8.6333 -8.6333 -6.7286 -6.7286 -6.5377 -6.5377 -3.3573 -3.3573 -2.7259 -2.7259 2.6289 2.6289 4.4606 4.4606 4.6828 4.6828 4.9914 4.9914 5.2546 5.2546 5.5831 5.5831 7.1326 7.1326 7.9564 7.9564 8.2027 8.2027 8.2069 8.2069 k = 0.0000 0.0000 0.1914 ( 8186 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0718 -37.0718 -36.7877 -36.7877 -36.7860 -36.7860 -36.7845 -36.7845 -36.7829 -36.7829 -21.9817 -21.9817 -8.6333 -8.6333 -6.7291 -6.7291 -6.5377 -6.5377 -3.3301 -3.3301 -2.7599 -2.7599 2.6965 2.6965 4.3611 4.3611 4.7046 4.7046 5.0164 5.0164 5.2094 5.2094 5.5431 5.5431 7.1286 7.1286 7.9731 7.9731 8.1872 8.1872 8.1929 8.1929 k = 0.0000 0.0000 0.2061 ( 8162 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0718 -37.0718 -36.7877 -36.7877 -36.7860 -36.7860 -36.7845 -36.7845 -36.7829 -36.7829 -21.9817 -21.9817 -8.6334 -8.6334 -6.7297 -6.7297 -6.5377 -6.5377 -3.3020 -3.3020 -2.7942 -2.7942 2.7655 2.7655 4.2624 4.2624 4.7294 4.7294 5.0430 5.0430 5.1657 5.1657 5.5029 5.5029 7.1251 7.1251 7.9882 7.9882 8.1733 8.1733 8.1800 8.1800 k = 0.0000 0.0000 0.2208 ( 8174 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0718 -37.0718 -36.7877 -36.7877 -36.7860 -36.7860 -36.7845 -36.7845 -36.7829 -36.7829 -21.9817 -21.9817 -8.6334 -8.6334 -6.7301 -6.7301 -6.5377 -6.5377 -3.2735 -3.2735 -2.8283 -2.8283 2.8343 2.8343 4.1674 4.1674 4.7564 4.7564 5.0709 5.0709 5.1234 5.1234 5.4632 5.4632 7.1222 7.1222 8.0014 8.0014 8.1612 8.1612 8.1687 8.1687 k = 0.0000 0.0000 0.2356 ( 8192 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0718 -37.0718 -36.7877 -36.7877 -36.7860 -36.7860 -36.7846 -36.7846 -36.7829 -36.7829 -21.9817 -21.9817 -8.6335 -8.6335 -6.7305 -6.7305 -6.5377 -6.5377 -3.2452 -3.2452 -2.8613 -2.8613 2.9007 2.9007 4.0791 4.0791 4.7850 4.7850 5.0824 5.0824 5.0998 5.0998 5.4243 5.4243 7.1197 7.1197 8.0127 8.0127 8.1511 8.1511 8.1590 8.1590 k = 0.0000 0.0000 0.2503 ( 8174 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0718 -37.0718 -36.7877 -36.7877 -36.7860 -36.7860 -36.7845 -36.7845 -36.7829 -36.7829 -21.9817 -21.9817 -8.6335 -8.6335 -6.7308 -6.7308 -6.5377 -6.5377 -3.2185 -3.2185 -2.8917 -2.8917 2.9614 2.9614 4.0010 4.0010 4.8149 4.8149 5.0431 5.0431 5.1289 5.1289 5.3873 5.3873 7.1177 7.1177 8.0217 8.0217 8.1431 8.1431 8.1514 8.1514 k = 0.0000 0.0000 0.2650 ( 8174 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0718 -37.0718 -36.7877 -36.7877 -36.7860 -36.7860 -36.7845 -36.7845 -36.7829 -36.7829 -21.9817 -21.9817 -8.6336 -8.6336 -6.7311 -6.7311 -6.5377 -6.5377 -3.1953 -3.1953 -2.9177 -2.9177 3.0117 3.0117 3.9381 3.9381 4.8452 4.8452 5.0060 5.0060 5.1567 5.1567 5.3537 5.3537 7.1163 7.1163 8.0283 8.0283 8.1373 8.1373 8.1458 8.1458 k = 0.0000 0.0000 0.2797 ( 8198 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0718 -37.0718 -36.7877 -36.7877 -36.7860 -36.7860 -36.7845 -36.7845 -36.7829 -36.7829 -21.9817 -21.9817 -8.6336 -8.6336 -6.7312 -6.7312 -6.5377 -6.5377 -3.1788 -3.1788 -2.9359 -2.9359 3.0459 3.0459 3.8964 3.8964 4.8734 4.8734 4.9737 4.9737 5.1796 5.1796 5.3273 5.3273 7.1155 7.1155 8.0323 8.0323 8.1338 8.1338 8.1424 8.1424 k = 0.0000 0.0000 0.2944 ( 8198 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0718 -37.0718 -36.7877 -36.7877 -36.7860 -36.7860 -36.7845 -36.7845 -36.7829 -36.7829 -21.9817 -21.9817 -8.6336 -8.6336 -6.7313 -6.7313 -6.5377 -6.5377 -3.1727 -3.1727 -2.9426 -2.9426 3.0581 3.0581 3.8817 3.8817 4.8884 4.8884 4.9575 4.9575 5.1893 5.1893 5.3164 5.3164 7.1152 7.1152 8.0337 8.0337 8.1326 8.1326 8.1412 8.1412 k = 0.0000 0.0000 0.2944 ( 8198 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0718 -37.0718 -36.7877 -36.7877 -36.7860 -36.7860 -36.7845 -36.7845 -36.7829 -36.7829 -21.9817 -21.9817 -8.6336 -8.6336 -6.7313 -6.7313 -6.5377 -6.5377 -3.1727 -3.1727 -2.9426 -2.9426 3.0581 3.0581 3.8817 3.8817 4.8884 4.8884 4.9575 4.9575 5.1893 5.1893 5.3164 5.3164 7.1152 7.1152 8.0337 8.0337 8.1326 8.1326 8.1412 8.1412 k = 0.0128 0.0074 0.2944 ( 8174 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0718 -37.0718 -36.7877 -36.7877 -36.7860 -36.7860 -36.7845 -36.7845 -36.7829 -36.7829 -21.9817 -21.9817 -8.6337 -8.6337 -6.7312 -6.7312 -6.5380 -6.5380 -3.1722 -3.1722 -2.9416 -2.9416 3.0568 3.0568 3.8816 3.8816 4.8859 4.8859 4.9504 4.9504 5.1899 5.1899 5.3114 5.3114 7.1253 7.1253 8.0170 8.0170 8.1396 8.1396 8.1599 8.1599 k = 0.0256 0.0148 0.2944 ( 8178 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0718 -37.0718 -36.7877 -36.7877 -36.7860 -36.7860 -36.7845 -36.7845 -36.7829 -36.7829 -21.9816 -21.9816 -8.6339 -8.6339 -6.7311 -6.7311 -6.5391 -6.5391 -3.1709 -3.1709 -2.9386 -2.9386 3.0531 3.0531 3.8813 3.8813 4.8785 4.8785 4.9298 4.9298 5.1907 5.1907 5.2973 5.2973 7.1547 7.1547 7.9864 7.9864 8.1517 8.1517 8.2050 8.2050 k = 0.0385 0.0222 0.2944 ( 8180 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0718 -37.0718 -36.7877 -36.7877 -36.7860 -36.7860 -36.7845 -36.7845 -36.7829 -36.7829 -21.9815 -21.9815 -8.6343 -8.6343 -6.7310 -6.7310 -6.5409 -6.5409 -3.1688 -3.1688 -2.9336 -2.9336 3.0469 3.0469 3.8806 3.8806 4.8651 4.8651 4.8982 4.8982 5.1896 5.1896 5.2773 5.2773 7.2004 7.2004 7.9576 7.9576 8.1709 8.1709 8.2588 8.2588 k = 0.0513 0.0296 0.2944 ( 8202 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0718 -37.0718 -36.7877 -36.7877 -36.7860 -36.7860 -36.7845 -36.7845 -36.7829 -36.7829 -21.9814 -21.9814 -8.6349 -8.6349 -6.7308 -6.7308 -6.5435 -6.5435 -3.1657 -3.1657 -2.9268 -2.9268 3.0383 3.0383 3.8787 3.8787 4.8395 4.8395 4.8642 4.8642 5.1822 5.1822 5.2572 5.2572 7.2581 7.2581 7.9359 7.9359 8.1972 8.1972 8.3156 8.3156 k = 0.0641 0.0370 0.2944 ( 8194 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0718 -37.0718 -36.7877 -36.7877 -36.7860 -36.7860 -36.7845 -36.7845 -36.7829 -36.7829 -21.9812 -21.9812 -8.6356 -8.6356 -6.7305 -6.7305 -6.5466 -6.5466 -3.1618 -3.1618 -2.9180 -2.9180 3.0273 3.0273 3.8748 3.8748 4.7935 4.7935 4.8389 4.8389 5.1629 5.1629 5.2440 5.2440 7.3218 7.3218 7.9250 7.9250 8.2304 8.2304 8.3724 8.3724 k = 0.0769 0.0444 0.2944 ( 8202 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0718 -37.0718 -36.7877 -36.7877 -36.7860 -36.7860 -36.7845 -36.7845 -36.7829 -36.7829 -21.9809 -21.9809 -8.6365 -8.6365 -6.7302 -6.7302 -6.5504 -6.5504 -3.1571 -3.1571 -2.9075 -2.9075 3.0141 3.0141 3.8678 3.8678 4.7380 4.7380 4.8145 4.8145 5.1321 5.1321 5.2387 5.2387 7.3842 7.3842 7.9293 7.9293 8.2700 8.2700 8.4260 8.4260 k = 0.0897 0.0518 0.2944 ( 8202 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0719 -37.0719 -36.7877 -36.7877 -36.7861 -36.7861 -36.7845 -36.7845 -36.7829 -36.7829 -21.9807 -21.9807 -8.6375 -8.6375 -6.7299 -6.7299 -6.5548 -6.5548 -3.1514 -3.1514 -2.8952 -2.8952 2.9987 2.9987 3.8562 3.8562 4.6801 4.6801 4.7877 4.7877 5.0946 5.0946 5.2374 5.2374 7.4368 7.4368 7.9537 7.9537 8.3155 8.3155 8.4730 8.4730 k = 0.1026 0.0592 0.2944 ( 8202 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0719 -37.0719 -36.7877 -36.7877 -36.7861 -36.7861 -36.7845 -36.7845 -36.7829 -36.7829 -21.9803 -21.9803 -8.6387 -8.6387 -6.7296 -6.7296 -6.5597 -6.5597 -3.1450 -3.1450 -2.8813 -2.8813 2.9812 2.9812 3.8379 3.8379 4.6239 4.6239 4.7585 4.7585 5.0536 5.0536 5.2375 5.2375 7.4732 7.4732 8.0014 8.0014 8.3659 8.3659 8.5098 8.5098 k = 0.1154 0.0666 0.2944 ( 8210 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0719 -37.0719 -36.7877 -36.7877 -36.7861 -36.7861 -36.7845 -36.7845 -36.7829 -36.7829 -21.9800 -21.9800 -8.6400 -8.6400 -6.7293 -6.7293 -6.5650 -6.5650 -3.1377 -3.1377 -2.8659 -2.8659 2.9617 2.9617 3.8111 3.8111 4.5730 4.5730 4.7270 4.7270 5.0107 5.0107 5.2380 5.2380 7.4917 7.4917 8.0698 8.0698 8.4199 8.4199 8.5346 8.5346 k = 0.1282 0.0740 0.2944 ( 8208 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0747 -37.0747 -37.0719 -37.0719 -36.7877 -36.7877 -36.7861 -36.7861 -36.7844 -36.7844 -36.7829 -36.7829 -21.9796 -21.9796 -8.6415 -8.6415 -6.7291 -6.7291 -6.5706 -6.5706 -3.1296 -3.1296 -2.8490 -2.8490 2.9404 2.9404 3.7740 3.7740 4.5303 4.5303 4.6937 4.6937 4.9668 4.9668 5.2384 5.2384 7.4951 7.4951 8.1508 8.1508 8.4742 8.4742 8.5513 8.5513 k = 0.1410 0.0814 0.2944 ( 8212 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0747 -37.0747 -37.0719 -37.0719 -36.7877 -36.7877 -36.7861 -36.7861 -36.7844 -36.7844 -36.7830 -36.7830 -21.9792 -21.9792 -8.6431 -8.6431 -6.7289 -6.7289 -6.5766 -6.5766 -3.1207 -3.1207 -2.8307 -2.8307 2.9173 2.9173 3.7260 3.7260 4.4974 4.4974 4.6591 4.6591 4.9224 4.9224 5.2387 5.2387 7.4874 7.4874 8.2304 8.2304 8.5173 8.5173 8.5792 8.5792 k = 0.1538 0.0888 0.2944 ( 8216 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0747 -37.0747 -37.0720 -37.0720 -36.7877 -36.7877 -36.7862 -36.7862 -36.7844 -36.7844 -36.7830 -36.7830 -21.9787 -21.9787 -8.6448 -8.6448 -6.7289 -6.7289 -6.5827 -6.5827 -3.1110 -3.1110 -2.8113 -2.8113 2.8927 2.8927 3.6673 3.6673 4.4742 4.4742 4.6240 4.6240 4.8779 4.8779 5.2386 5.2386 7.4715 7.4715 8.2879 8.2879 8.5527 8.5527 8.6334 8.6334 k = 0.1667 0.0962 0.2944 ( 8220 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0747 -37.0747 -37.0720 -37.0720 -36.7877 -36.7877 -36.7862 -36.7862 -36.7844 -36.7844 -36.7830 -36.7830 -21.9783 -21.9783 -8.6466 -8.6466 -6.7291 -6.7291 -6.5889 -6.5889 -3.1007 -3.1007 -2.7908 -2.7908 2.8668 2.8668 3.5995 3.5995 4.4589 4.4589 4.5898 4.5898 4.8338 4.8338 5.2384 5.2384 7.4494 7.4494 8.3066 8.3066 8.6099 8.6099 8.6976 8.6976 k = 0.1795 0.1036 0.2944 ( 8216 PWs) bands (ev): -70.1331 -70.1331 -70.1327 -70.1327 -37.0747 -37.0747 -37.0720 -37.0720 -36.7877 -36.7877 -36.7862 -36.7862 -36.7844 -36.7844 -36.7830 -36.7830 -21.9778 -21.9778 -8.6485 -8.6485 -6.7295 -6.7295 -6.5950 -6.5950 -3.0896 -3.0896 -2.7694 -2.7694 2.8395 2.8395 3.5244 3.5244 4.4476 4.4476 4.5587 4.5587 4.7907 4.7907 5.2378 5.2378 7.4223 7.4223 8.2959 8.2959 8.6781 8.6781 8.7496 8.7496 k = 0.1923 0.1110 0.2944 ( 8224 PWs) bands (ev): -70.1331 -70.1331 -70.1327 -70.1327 -37.0746 -37.0746 -37.0721 -37.0721 -36.7877 -36.7877 -36.7863 -36.7863 -36.7844 -36.7844 -36.7830 -36.7830 -21.9772 -21.9772 -8.6506 -8.6506 -6.7301 -6.7301 -6.6010 -6.6010 -3.0779 -3.0779 -2.7472 -2.7472 2.8112 2.8112 3.4442 3.4442 4.4341 4.4341 4.5351 4.5351 4.7493 4.7493 5.2371 5.2371 7.3910 7.3910 8.2731 8.2731 8.6829 8.6829 8.7846 8.7846 k = 0.2051 0.1184 0.2944 ( 8224 PWs) bands (ev): -70.1331 -70.1331 -70.1327 -70.1327 -37.0746 -37.0746 -37.0721 -37.0721 -36.7876 -36.7876 -36.7863 -36.7863 -36.7843 -36.7843 -36.7830 -36.7830 -21.9767 -21.9767 -8.6527 -8.6527 -6.7312 -6.7312 -6.6068 -6.6068 -3.0656 -3.0656 -2.7243 -2.7243 2.7820 2.7820 3.3607 3.3607 4.4122 4.4122 4.5228 4.5228 4.7109 4.7109 5.2363 5.2363 7.3562 7.3562 8.2475 8.2475 8.6252 8.6252 8.8308 8.8308 k = 0.2179 0.1258 0.2944 ( 8228 PWs) bands (ev): -70.1331 -70.1331 -70.1327 -70.1327 -37.0746 -37.0746 -37.0721 -37.0721 -36.7876 -36.7876 -36.7863 -36.7863 -36.7843 -36.7843 -36.7830 -36.7830 -21.9762 -21.9762 -8.6548 -8.6548 -6.7326 -6.7326 -6.6122 -6.6122 -3.0528 -3.0528 -2.7008 -2.7008 2.7520 2.7520 3.2755 3.2755 4.3817 4.3817 4.5185 4.5185 4.6777 4.6777 5.2353 5.2353 7.3187 7.3187 8.2235 8.2235 8.5557 8.5557 8.8421 8.8421 k = 0.2308 0.1332 0.2944 ( 8238 PWs) bands (ev): -70.1331 -70.1331 -70.1327 -70.1327 -37.0746 -37.0746 -37.0722 -37.0722 -36.7876 -36.7876 -36.7863 -36.7863 -36.7843 -36.7843 -36.7831 -36.7831 -21.9756 -21.9756 -8.6571 -8.6571 -6.7345 -6.7345 -6.6172 -6.6172 -3.0396 -3.0396 -2.6770 -2.6770 2.7215 2.7215 3.1898 3.1898 4.3463 4.3463 4.5139 4.5139 4.6542 4.6542 5.2344 5.2344 7.2793 7.2793 8.2023 8.2023 8.4821 8.4821 8.8240 8.8240 k = 0.2436 0.1406 0.2944 ( 8246 PWs) bands (ev): -70.1331 -70.1331 -70.1327 -70.1327 -37.0746 -37.0746 -37.0722 -37.0722 -36.7876 -36.7876 -36.7864 -36.7864 -36.7843 -36.7843 -36.7831 -36.7831 -21.9751 -21.9751 -8.6593 -8.6593 -6.7368 -6.7368 -6.6216 -6.6216 -3.0259 -3.0259 -2.6530 -2.6530 2.6906 2.6906 3.1047 3.1047 4.3085 4.3085 4.5009 4.5009 4.6448 4.6448 5.2337 5.2337 7.2386 7.2386 8.1841 8.1841 8.4078 8.4078 8.7934 8.7934 k = 0.2564 0.1480 0.2944 ( 8234 PWs) bands (ev): -70.1331 -70.1331 -70.1327 -70.1327 -37.0745 -37.0745 -37.0722 -37.0722 -36.7876 -36.7876 -36.7864 -36.7864 -36.7843 -36.7843 -36.7831 -36.7831 -21.9745 -21.9745 -8.6617 -8.6617 -6.7397 -6.7397 -6.6254 -6.6254 -3.0119 -3.0119 -2.6290 -2.6290 2.6595 2.6595 3.0210 3.0210 4.2699 4.2699 4.4778 4.4778 4.6495 4.6495 5.2331 5.2331 7.1975 7.1975 8.1666 8.1666 8.3364 8.3364 8.7584 8.7584 k = 0.2692 0.1554 0.2944 ( 8230 PWs) bands (ev): -70.1331 -70.1331 -70.1327 -70.1327 -37.0745 -37.0745 -37.0723 -37.0723 -36.7876 -36.7876 -36.7864 -36.7864 -36.7843 -36.7843 -36.7831 -36.7831 -21.9739 -21.9739 -8.6640 -8.6640 -6.7430 -6.7430 -6.6285 -6.6285 -2.9977 -2.9977 -2.6050 -2.6050 2.6282 2.6282 2.9393 2.9393 4.2311 4.2311 4.4486 4.4486 4.6633 4.6633 5.2329 5.2329 7.1566 7.1566 8.1438 8.1438 8.2751 8.2751 8.7225 8.7225 k = 0.2821 0.1628 0.2944 ( 8242 PWs) bands (ev): -70.1331 -70.1331 -70.1327 -70.1327 -37.0745 -37.0745 -37.0723 -37.0723 -36.7876 -36.7876 -36.7864 -36.7864 -36.7843 -36.7843 -36.7831 -36.7831 -21.9734 -21.9734 -8.6663 -8.6663 -6.7468 -6.7468 -6.6311 -6.6311 -2.9834 -2.9834 -2.5812 -2.5812 2.5970 2.5970 2.8604 2.8604 4.1927 4.1927 4.4169 4.4169 4.6819 4.6819 5.2331 5.2331 7.1164 7.1164 8.1042 8.1042 8.2361 8.2361 8.6872 8.6872 k = 0.2949 0.1702 0.2944 ( 8246 PWs) bands (ev): -70.1330 -70.1330 -70.1327 -70.1327 -37.0744 -37.0744 -37.0724 -37.0724 -36.7876 -36.7876 -36.7864 -36.7864 -36.7843 -36.7843 -36.7831 -36.7831 -21.9728 -21.9728 -8.6686 -8.6686 -6.7510 -6.7510 -6.6331 -6.6331 -2.9690 -2.9690 -2.5579 -2.5579 2.5659 2.5659 2.7846 2.7846 4.1549 4.1549 4.3846 4.3846 4.7026 4.7026 5.2339 5.2339 7.0774 7.0774 8.0459 8.0459 8.2217 8.2217 8.6536 8.6536 k = 0.3077 0.1776 0.2944 ( 8242 PWs) bands (ev): -70.1330 -70.1330 -70.1327 -70.1327 -37.0744 -37.0744 -37.0724 -37.0724 -36.7876 -36.7876 -36.7864 -36.7864 -36.7843 -36.7843 -36.7831 -36.7831 -21.9723 -21.9723 -8.6709 -8.6709 -6.7554 -6.7554 -6.6345 -6.6345 -2.9547 -2.9547 -2.5351 -2.5351 2.5349 2.5349 2.7127 2.7127 4.1180 4.1180 4.3528 4.3528 4.7240 4.7240 5.2354 5.2354 7.0399 7.0399 7.9797 7.9797 8.2214 8.2214 8.6221 8.6221 k = 0.3205 0.1850 0.2944 ( 8242 PWs) bands (ev): -70.1330 -70.1330 -70.1327 -70.1327 -37.0743 -37.0743 -37.0724 -37.0724 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7831 -36.7831 -21.9718 -21.9718 -8.6731 -8.6731 -6.7601 -6.7601 -6.6354 -6.6354 -2.9405 -2.9405 -2.5130 -2.5130 2.5037 2.5037 2.6454 2.6454 4.0822 4.0822 4.3221 4.3221 4.7452 4.7452 5.2376 5.2376 7.0041 7.0041 7.9121 7.9121 8.2287 8.2287 8.5933 8.5933 k = 0.3333 0.1925 0.2944 ( 8238 PWs) bands (ev): -70.1330 -70.1330 -70.1327 -70.1327 -37.0743 -37.0743 -37.0725 -37.0725 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7831 -36.7831 -21.9713 -21.9713 -8.6753 -8.6753 -6.7648 -6.7648 -6.6360 -6.6360 -2.9266 -2.9266 -2.4918 -2.4918 2.4718 2.4718 2.5836 2.5836 4.0478 4.0478 4.2929 4.2929 4.7656 4.7656 5.2407 5.2407 6.9701 6.9701 7.8462 7.8462 8.2405 8.2405 8.5678 8.5678 k = 0.3462 0.1999 0.2944 ( 8250 PWs) bands (ev): -70.1330 -70.1330 -70.1327 -70.1327 -37.0743 -37.0743 -37.0725 -37.0725 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7831 -36.7831 -21.9708 -21.9708 -8.6773 -8.6773 -6.7695 -6.7695 -6.6362 -6.6362 -2.9130 -2.9130 -2.4715 -2.4715 2.4381 2.4381 2.5289 2.5289 4.0149 4.0149 4.2653 4.2653 4.7848 4.7848 5.2446 5.2446 6.9380 6.9380 7.7833 7.7833 8.2549 8.2549 8.5463 8.5463 k = 0.3590 0.2073 0.2944 ( 8252 PWs) bands (ev): -70.1330 -70.1330 -70.1327 -70.1327 -37.0742 -37.0742 -37.0726 -37.0726 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9704 -21.9704 -8.6793 -8.6793 -6.7742 -6.7742 -6.6362 -6.6362 -2.9000 -2.9000 -2.4523 -2.4523 2.4012 2.4012 2.4829 2.4829 3.9838 3.9838 4.2395 4.2395 4.8025 4.8025 5.2494 5.2494 6.9078 6.9078 7.7241 7.7241 8.2703 8.2703 8.5297 8.5297 k = 0.3718 0.2147 0.2944 ( 8252 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0742 -37.0742 -37.0726 -37.0726 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9700 -21.9700 -8.6812 -8.6812 -6.7787 -6.7787 -6.6360 -6.6360 -2.8876 -2.8876 -2.4344 -2.4344 2.3612 2.3612 2.4461 2.4461 3.9547 3.9547 4.2157 4.2157 4.8184 4.8184 5.2551 5.2551 6.8794 6.8794 7.6693 7.6693 8.2848 8.2848 8.5192 8.5192 k = 0.3846 0.2221 0.2944 ( 8244 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0742 -37.0742 -37.0727 -37.0727 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9696 -21.9696 -8.6829 -8.6829 -6.7829 -6.7829 -6.6357 -6.6357 -2.8759 -2.8759 -2.4178 -2.4178 2.3203 2.3203 2.4167 2.4167 3.9276 3.9276 4.1940 4.1940 4.8325 4.8325 5.2614 5.2614 6.8530 6.8530 7.6192 7.6192 8.2964 8.2964 8.5160 8.5160 k = 0.3974 0.2295 0.2944 ( 8242 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0741 -37.0741 -37.0727 -37.0727 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9692 -21.9692 -8.6845 -8.6845 -6.7869 -6.7869 -6.6352 -6.6352 -2.8651 -2.8651 -2.4027 -2.4027 2.2808 2.2808 2.3923 2.3923 3.9028 3.9028 4.1744 4.1744 4.8447 4.8447 5.2681 5.2681 6.8286 6.8286 7.5741 7.5741 8.3039 8.3039 8.5207 8.5207 k = 0.4103 0.2369 0.2944 ( 8254 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0741 -37.0741 -37.0728 -37.0728 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9689 -21.9689 -8.6859 -8.6859 -6.7905 -6.7905 -6.6348 -6.6348 -2.8552 -2.8552 -2.3891 -2.3891 2.2444 2.2444 2.3717 2.3717 3.8805 3.8805 4.1570 4.1570 4.8552 4.8552 5.2752 5.2752 6.8063 6.8063 7.5342 7.5342 8.3068 8.3068 8.5327 8.5327 k = 0.4231 0.2443 0.2944 ( 8258 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0741 -37.0741 -37.0728 -37.0728 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9686 -21.9686 -8.6872 -8.6872 -6.7937 -6.7937 -6.6343 -6.6343 -2.8464 -2.8464 -2.3772 -2.3772 2.2121 2.2121 2.3543 2.3543 3.8608 3.8608 4.1418 4.1418 4.8638 4.8638 5.2821 5.2821 6.7863 6.7863 7.4996 7.4996 8.3062 8.3062 8.5500 8.5500 k = 0.4359 0.2517 0.2944 ( 8268 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0740 -37.0740 -37.0728 -37.0728 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9684 -21.9684 -8.6883 -8.6883 -6.7964 -6.7964 -6.6338 -6.6338 -2.8388 -2.8388 -2.3670 -2.3670 2.1842 2.1842 2.3396 2.3396 3.8439 3.8439 4.1289 4.1289 4.8709 4.8709 5.2887 5.2887 6.7688 6.7688 7.4704 7.4704 8.3035 8.3035 8.5699 8.5699 k = 0.4487 0.2591 0.2944 ( 8264 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0740 -37.0740 -37.0729 -37.0729 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9682 -21.9682 -8.6892 -8.6892 -6.7987 -6.7987 -6.6334 -6.6334 -2.8324 -2.8324 -2.3586 -2.3586 2.1611 2.1611 2.3276 2.3276 3.8299 3.8299 4.1183 4.1183 4.8765 4.8765 5.2946 5.2946 6.7540 6.7540 7.4466 7.4466 8.2999 8.2999 8.5900 8.5900 k = 0.4615 0.2665 0.2944 ( 8256 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0740 -37.0740 -37.0729 -37.0729 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9680 -21.9680 -8.6899 -8.6899 -6.8006 -6.8006 -6.6331 -6.6331 -2.8274 -2.8274 -2.3520 -2.3520 2.1430 2.1430 2.3183 2.3183 3.8189 3.8189 4.1101 4.1101 4.8807 4.8807 5.2996 5.2996 6.7421 6.7421 7.4282 7.4282 8.2963 8.2963 8.6080 8.6080 k = 0.4744 0.2739 0.2944 ( 8258 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0740 -37.0740 -37.0729 -37.0729 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9679 -21.9679 -8.6904 -8.6904 -6.8019 -6.8019 -6.6329 -6.6329 -2.8237 -2.8237 -2.3472 -2.3472 2.1300 2.1300 2.3117 2.3117 3.8109 3.8109 4.1041 4.1041 4.8836 4.8836 5.3034 5.3034 6.7334 6.7334 7.4151 7.4151 8.2934 8.2934 8.6222 8.6222 k = 0.4872 0.2813 0.2944 ( 8262 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0740 -37.0740 -37.0729 -37.0729 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9678 -21.9678 -8.6907 -8.6907 -6.8026 -6.8026 -6.6327 -6.6327 -2.8215 -2.8215 -2.3443 -2.3443 2.1222 2.1222 2.3077 2.3077 3.8062 3.8062 4.1006 4.1006 4.8853 4.8853 5.3057 5.3057 6.7282 6.7282 7.4072 7.4072 8.2916 8.2916 8.6313 8.6313 k = 0.5000 0.2887 0.2944 ( 8268 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0740 -37.0740 -37.0729 -37.0729 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9678 -21.9678 -8.6908 -8.6908 -6.8029 -6.8029 -6.6326 -6.6326 -2.8208 -2.8208 -2.3434 -2.3434 2.1196 2.1196 2.3064 2.3064 3.8046 3.8046 4.0994 4.0994 4.8859 4.8859 5.3065 5.3065 6.7264 6.7264 7.4046 7.4046 8.2909 8.2909 8.6344 8.6344 k = 0.5000 0.2887 0.2944 ( 8268 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0740 -37.0740 -37.0729 -37.0729 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9678 -21.9678 -8.6908 -8.6908 -6.8029 -6.8029 -6.6326 -6.6326 -2.8208 -2.8208 -2.3434 -2.3434 2.1196 2.1196 2.3064 2.3064 3.8046 3.8046 4.0994 4.0994 4.8859 4.8859 5.3065 5.3065 6.7264 6.7264 7.4046 7.4046 8.2909 8.2909 8.6344 8.6344 k = 0.4924 0.3018 0.2944 ( 8268 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0740 -37.0740 -37.0729 -37.0729 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9678 -21.9678 -8.6909 -8.6909 -6.8028 -6.8028 -6.6329 -6.6329 -2.8200 -2.8200 -2.3438 -2.3438 2.1210 2.1210 2.3070 2.3070 3.8043 3.8043 4.0963 4.0963 4.8810 4.8810 5.2996 5.2996 6.7319 6.7319 7.4121 7.4121 8.3000 8.3000 8.6269 8.6269 k = 0.4848 0.3149 0.2944 ( 8264 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0740 -37.0740 -37.0729 -37.0729 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9678 -21.9678 -8.6909 -8.6909 -6.8024 -6.8024 -6.6338 -6.6338 -2.8175 -2.8175 -2.3449 -2.3449 2.1253 2.1253 2.3090 2.3090 3.8032 3.8032 4.0875 4.0875 4.8664 4.8664 5.2795 5.2795 6.7479 6.7479 7.4343 7.4343 8.3269 8.3269 8.6064 8.6064 k = 0.4773 0.3280 0.2944 ( 8270 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0740 -37.0740 -37.0729 -37.0729 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9677 -21.9677 -8.6910 -8.6910 -6.8017 -6.8017 -6.6351 -6.6351 -2.8135 -2.8135 -2.3467 -2.3467 2.1323 2.1323 2.3122 2.3122 3.8009 3.8009 4.0738 4.0738 4.8420 4.8420 5.2482 5.2482 6.7734 6.7734 7.4706 7.4706 8.3710 8.3710 8.5775 8.5775 k = 0.4697 0.3412 0.2944 ( 8270 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0739 -37.0739 -37.0730 -37.0730 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9677 -21.9677 -8.6911 -8.6911 -6.8008 -6.8008 -6.6370 -6.6370 -2.8078 -2.8078 -2.3493 -2.3493 2.1420 2.1420 2.3168 2.3168 3.7963 3.7963 4.0567 4.0567 4.8079 4.8079 5.2084 5.2084 6.8066 6.8066 7.5201 7.5201 8.4312 8.4312 8.5441 8.5441 k = 0.4621 0.3543 0.2944 ( 8270 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0739 -37.0739 -37.0730 -37.0730 -36.7876 -36.7876 -36.7865 -36.7865 -36.7844 -36.7844 -36.7832 -36.7832 -21.9676 -21.9676 -8.6913 -8.6913 -6.7996 -6.7996 -6.6394 -6.6394 -2.8007 -2.8007 -2.3527 -2.3527 2.1543 2.1543 2.3226 2.3226 3.7882 3.7882 4.0385 4.0385 4.7642 4.7642 5.1629 5.1629 6.8461 6.8461 7.5815 7.5815 8.5041 8.5041 8.5113 8.5113 k = 0.4545 0.3674 0.2944 ( 8276 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0739 -37.0739 -37.0730 -37.0730 -36.7876 -36.7876 -36.7865 -36.7865 -36.7844 -36.7844 -36.7832 -36.7832 -21.9675 -21.9675 -8.6915 -8.6915 -6.7983 -6.7983 -6.6422 -6.6422 -2.7920 -2.7920 -2.3568 -2.3568 2.1690 2.1690 2.3296 2.3296 3.7749 3.7749 4.0217 4.0217 4.7118 4.7118 5.1142 5.1142 6.8904 6.8904 7.6527 7.6527 8.4752 8.4752 8.5939 8.5939 k = 0.4470 0.3805 0.2944 ( 8280 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0739 -37.0739 -37.0730 -37.0730 -36.7876 -36.7876 -36.7865 -36.7865 -36.7844 -36.7844 -36.7832 -36.7832 -21.9674 -21.9674 -8.6917 -8.6917 -6.7967 -6.7967 -6.6455 -6.6455 -2.7819 -2.7819 -2.3617 -2.3617 2.1860 2.1860 2.3378 2.3378 3.7549 3.7549 4.0083 4.0083 4.6519 4.6519 5.0639 5.0639 6.9387 6.9387 7.7313 7.7313 8.4445 8.4445 8.6922 8.6922 k = 0.4394 0.3936 0.2944 ( 8280 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0739 -37.0739 -37.0730 -37.0730 -36.7876 -36.7876 -36.7864 -36.7864 -36.7844 -36.7844 -36.7832 -36.7832 -21.9673 -21.9673 -8.6920 -8.6920 -6.7949 -6.7949 -6.6490 -6.6490 -2.7704 -2.7704 -2.3674 -2.3674 2.2050 2.2050 2.3470 2.3470 3.7279 3.7279 3.9997 3.9997 4.5865 4.5865 5.0132 5.0132 6.9900 6.9900 7.8133 7.8133 8.4201 8.4201 8.7988 8.7988 k = 0.4318 0.4068 0.2944 ( 8274 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0739 -37.0739 -37.0730 -37.0730 -36.7876 -36.7876 -36.7864 -36.7864 -36.7844 -36.7844 -36.7832 -36.7832 -21.9672 -21.9672 -8.6923 -8.6923 -6.7929 -6.7929 -6.6529 -6.6529 -2.7577 -2.7577 -2.3738 -2.3738 2.2257 2.2257 2.3574 2.3574 3.6946 3.6946 3.9952 3.9952 4.5180 4.5180 4.9626 4.9626 7.0439 7.0439 7.8925 7.8925 8.4073 8.4073 8.9108 8.9108 k = 0.4242 0.4199 0.2944 ( 8266 PWs) bands (ev): -70.1329 -70.1329 -70.1328 -70.1328 -37.0739 -37.0739 -37.0731 -37.0731 -36.7876 -36.7876 -36.7864 -36.7864 -36.7844 -36.7844 -36.7832 -36.7832 -21.9671 -21.9671 -8.6926 -8.6926 -6.7909 -6.7909 -6.6569 -6.6569 -2.7438 -2.7438 -2.3810 -2.3810 2.2478 2.2478 2.3689 2.3689 3.6564 3.6564 3.9934 3.9934 4.4494 4.4494 4.9124 4.9124 7.1002 7.1002 7.9592 7.9592 8.4146 8.4146 9.0246 9.0246 k = 0.4167 0.4330 0.2944 ( 8270 PWs) bands (ev): -70.1329 -70.1329 -70.1328 -70.1328 -37.0738 -37.0738 -37.0731 -37.0731 -36.7877 -36.7877 -36.7864 -36.7864 -36.7845 -36.7845 -36.7832 -36.7832 -21.9670 -21.9670 -8.6929 -8.6929 -6.7887 -6.7887 -6.6611 -6.6611 -2.7288 -2.7288 -2.3891 -2.3891 2.2706 2.2706 2.3813 2.3813 3.6153 3.6153 3.9916 3.9916 4.3841 4.3841 4.8626 4.8626 7.1583 7.1583 8.0024 8.0024 8.4521 8.4521 9.1357 9.1357 k = 0.4091 0.4461 0.2944 ( 8272 PWs) bands (ev): -70.1329 -70.1329 -70.1328 -70.1328 -37.0738 -37.0738 -37.0731 -37.0731 -36.7877 -36.7877 -36.7863 -36.7863 -36.7845 -36.7845 -36.7832 -36.7832 -21.9669 -21.9669 -8.6932 -8.6932 -6.7865 -6.7865 -6.6654 -6.6654 -2.7129 -2.7129 -2.3979 -2.3979 2.2937 2.2937 2.3949 2.3949 3.5727 3.5727 3.9862 3.9862 4.3267 4.3267 4.8135 4.8135 7.2181 7.2181 8.0180 8.0180 8.5223 8.5223 9.2378 9.2378 k = 0.4015 0.4593 0.2944 ( 8268 PWs) bands (ev): -70.1329 -70.1329 -70.1328 -70.1328 -37.0738 -37.0738 -37.0731 -37.0731 -36.7877 -36.7877 -36.7863 -36.7863 -36.7845 -36.7845 -36.7832 -36.7832 -21.9668 -21.9668 -8.6936 -8.6936 -6.7843 -6.7843 -6.6696 -6.6696 -2.6961 -2.6961 -2.4075 -2.4075 2.3164 2.3164 2.4095 2.4095 3.5300 3.5300 3.9730 3.9730 4.2823 4.2823 4.7650 4.7650 7.2791 7.2791 8.0122 8.0122 8.6177 8.6177 9.3232 9.3232 k = 0.3939 0.4724 0.2944 ( 8254 PWs) bands (ev): -70.1329 -70.1329 -70.1328 -70.1328 -37.0737 -37.0737 -37.0731 -37.0731 -36.7877 -36.7877 -36.7863 -36.7863 -36.7845 -36.7845 -36.7831 -36.7831 -21.9666 -21.9666 -8.6939 -8.6939 -6.7821 -6.7821 -6.6737 -6.6737 -2.6787 -2.6787 -2.4180 -2.4180 2.3378 2.3378 2.4252 2.4252 3.4883 3.4883 3.9490 3.9490 4.2550 4.2550 4.7175 4.7175 7.3410 7.3410 7.9936 7.9936 8.7277 8.7277 9.3841 9.3841 k = 0.3864 0.4855 0.2944 ( 8250 PWs) bands (ev): -70.1329 -70.1329 -70.1328 -70.1328 -37.0737 -37.0737 -37.0732 -37.0732 -36.7877 -36.7877 -36.7863 -36.7863 -36.7845 -36.7845 -36.7831 -36.7831 -21.9665 -21.9665 -8.6943 -8.6943 -6.7801 -6.7801 -6.6776 -6.6776 -2.6607 -2.6607 -2.4292 -2.4292 2.3573 2.3573 2.4418 2.4418 3.4486 3.4486 3.9149 3.9149 4.2448 4.2448 4.6712 4.6712 7.4029 7.4029 7.9681 7.9681 8.8444 8.8444 9.4166 9.4166 k = 0.3788 0.4986 0.2944 ( 8254 PWs) bands (ev): -70.1329 -70.1329 -70.1328 -70.1328 -37.0737 -37.0737 -37.0732 -37.0732 -36.7877 -36.7877 -36.7862 -36.7862 -36.7846 -36.7846 -36.7831 -36.7831 -21.9664 -21.9664 -8.6946 -8.6946 -6.7782 -6.7782 -6.6812 -6.6812 -2.6424 -2.6424 -2.4412 -2.4412 2.3743 2.3743 2.4590 2.4590 3.4117 3.4117 3.8753 3.8753 4.2481 4.2481 4.6263 4.6263 7.4643 7.4643 7.9390 7.9390 8.9612 8.9612 9.4241 9.4241 k = 0.3712 0.5117 0.2944 ( 8242 PWs) bands (ev): -70.1329 -70.1329 -70.1328 -70.1328 -37.0736 -37.0736 -37.0732 -37.0732 -36.7877 -36.7877 -36.7862 -36.7862 -36.7846 -36.7846 -36.7831 -36.7831 -21.9663 -21.9663 -8.6949 -8.6949 -6.7765 -6.7765 -6.6843 -6.6843 -2.6238 -2.6238 -2.4539 -2.4539 2.3886 2.3886 2.4758 2.4758 3.3786 3.3786 3.8354 3.8354 4.2607 4.2607 4.5832 4.5832 7.5240 7.5240 7.9083 7.9083 9.0721 9.0721 9.4149 9.4149 k = 0.3636 0.5249 0.2944 ( 8242 PWs) bands (ev): -70.1329 -70.1329 -70.1328 -70.1328 -37.0736 -37.0736 -37.0733 -37.0733 -36.7877 -36.7877 -36.7862 -36.7862 -36.7846 -36.7846 -36.7831 -36.7831 -21.9662 -21.9662 -8.6951 -8.6951 -6.7751 -6.7751 -6.6870 -6.6870 -2.6053 -2.6053 -2.4673 -2.4673 2.4001 2.4001 2.4913 2.4913 3.3500 3.3500 3.7991 3.7991 4.2793 4.2793 4.5422 4.5422 7.5810 7.5810 7.8769 7.8769 9.1704 9.1704 9.3978 9.3978 k = 0.3561 0.5380 0.2944 ( 8246 PWs) bands (ev): -70.1329 -70.1329 -70.1329 -70.1329 -37.0736 -37.0736 -37.0733 -37.0733 -36.7877 -36.7877 -36.7862 -36.7862 -36.7846 -36.7846 -36.7831 -36.7831 -21.9662 -21.9662 -8.6954 -8.6954 -6.7741 -6.7741 -6.6891 -6.6891 -2.5870 -2.5870 -2.4813 -2.4813 2.4088 2.4088 2.5043 2.5043 3.3268 3.3268 3.7689 3.7689 4.3015 4.3015 4.5038 4.5038 7.6339 7.6339 7.8456 7.8456 9.2480 9.2480 9.3805 9.3805 k = 0.3485 0.5511 0.2944 ( 8242 PWs) bands (ev): -70.1329 -70.1329 -70.1329 -70.1329 -37.0735 -37.0735 -37.0734 -37.0734 -36.7877 -36.7877 -36.7862 -36.7862 -36.7846 -36.7846 -36.7831 -36.7831 -21.9661 -21.9661 -8.6955 -8.6955 -6.7733 -6.7733 -6.6906 -6.6906 -2.5696 -2.5696 -2.4956 -2.4956 2.4150 2.4150 2.5140 2.5140 3.3096 3.3096 3.7465 3.7465 4.3254 4.3254 4.4691 4.4691 7.6813 7.6813 7.8149 7.8149 9.2960 9.2960 9.3713 9.3713 k = 0.3409 0.5642 0.2944 ( 8246 PWs) bands (ev): -70.1329 -70.1329 -70.1329 -70.1329 -37.0735 -37.0735 -37.0734 -37.0734 -36.7877 -36.7877 -36.7862 -36.7862 -36.7846 -36.7846 -36.7831 -36.7831 -21.9661 -21.9661 -8.6957 -8.6957 -6.7729 -6.7729 -6.6915 -6.6915 -2.5540 -2.5540 -2.5090 -2.5090 2.4186 2.4186 2.5198 2.5198 3.2992 3.2992 3.7329 3.7329 4.3476 4.3476 4.4406 4.4406 7.7214 7.7214 7.7855 7.7855 9.3121 9.3121 9.3744 9.3744 k = 0.3333 0.5774 0.2944 ( 8250 PWs) bands (ev): -70.1329 -70.1329 -70.1329 -70.1329 -37.0735 -37.0735 -37.0734 -37.0734 -36.7877 -36.7877 -36.7862 -36.7862 -36.7846 -36.7846 -36.7831 -36.7831 -21.9661 -21.9661 -8.6957 -8.6957 -6.7728 -6.7728 -6.6918 -6.6918 -2.5459 -2.5459 -2.5164 -2.5164 2.4198 2.4198 2.5217 2.5217 3.2957 3.2957 3.7284 3.7284 4.3587 4.3587 4.4275 4.4275 7.7467 7.7467 7.7640 7.7640 9.3137 9.3137 9.3777 9.3777 k = 0.3333 0.5774 0.2944 ( 8250 PWs) bands (ev): -70.1329 -70.1329 -70.1329 -70.1329 -37.0735 -37.0735 -37.0734 -37.0734 -36.7877 -36.7877 -36.7862 -36.7862 -36.7846 -36.7846 -36.7831 -36.7831 -21.9661 -21.9661 -8.6957 -8.6957 -6.7728 -6.7728 -6.6918 -6.6918 -2.5459 -2.5459 -2.5164 -2.5164 2.4198 2.4198 2.5217 2.5217 3.2957 3.2957 3.7284 3.7284 4.3587 4.3587 4.4275 4.4275 7.7467 7.7467 7.7640 7.7640 9.3137 9.3137 9.3777 9.3777 k = 0.3258 0.5642 0.2944 ( 8242 PWs) bands (ev): -70.1329 -70.1329 -70.1329 -70.1329 -37.0735 -37.0735 -37.0734 -37.0734 -36.7877 -36.7877 -36.7862 -36.7862 -36.7846 -36.7846 -36.7831 -36.7831 -21.9661 -21.9661 -8.6957 -8.6957 -6.7729 -6.7729 -6.6915 -6.6915 -2.5540 -2.5540 -2.5091 -2.5091 2.4186 2.4186 2.5200 2.5200 3.2991 3.2991 3.7328 3.7328 4.3482 4.3482 4.4399 4.4399 7.7261 7.7261 7.7807 7.7807 9.3131 9.3131 9.3756 9.3756 k = 0.3182 0.5511 0.2944 ( 8242 PWs) bands (ev): -70.1329 -70.1329 -70.1329 -70.1329 -37.0735 -37.0735 -37.0733 -37.0733 -36.7877 -36.7877 -36.7862 -36.7862 -36.7846 -36.7846 -36.7831 -36.7831 -21.9661 -21.9661 -8.6955 -8.6955 -6.7731 -6.7731 -6.6908 -6.6908 -2.5694 -2.5694 -2.4962 -2.4962 2.4154 2.4154 2.5158 2.5158 3.3092 3.3092 3.7459 3.7459 4.3283 4.3283 4.4654 4.4654 7.7003 7.7003 7.7950 7.7950 9.3074 9.3074 9.3757 9.3757 k = 0.3106 0.5380 0.2944 ( 8242 PWs) bands (ev): -70.1329 -70.1329 -70.1329 -70.1329 -37.0736 -37.0736 -37.0733 -37.0733 -36.7877 -36.7877 -36.7862 -36.7862 -36.7846 -36.7846 -36.7831 -36.7831 -21.9662 -21.9662 -8.6953 -8.6953 -6.7734 -6.7734 -6.6896 -6.6896 -2.5868 -2.5868 -2.4829 -2.4829 2.4104 2.4104 2.5100 2.5100 3.3253 3.3253 3.7668 3.7668 4.3080 4.3080 4.4947 4.4947 7.6756 7.6756 7.8011 7.8011 9.2917 9.2917 9.3854 9.3854 k = 0.3030 0.5249 0.2944 ( 8234 PWs) bands (ev): -70.1329 -70.1329 -70.1328 -70.1328 -37.0736 -37.0736 -37.0733 -37.0733 -36.7877 -36.7877 -36.7862 -36.7862 -36.7846 -36.7846 -36.7831 -36.7831 -21.9663 -21.9663 -8.6949 -8.6949 -6.7738 -6.7738 -6.6881 -6.6881 -2.6052 -2.6052 -2.4706 -2.4706 2.4041 2.4041 2.5038 2.5038 3.3469 3.3469 3.7949 3.7949 4.2899 4.2899 4.5251 4.5251 7.6524 7.6524 7.7997 7.7997 9.2688 9.2688 9.4009 9.4009 k = 0.2955 0.5117 0.2944 ( 8234 PWs) bands (ev): -70.1329 -70.1329 -70.1328 -70.1328 -37.0737 -37.0737 -37.0732 -37.0732 -36.7877 -36.7877 -36.7862 -36.7862 -36.7846 -36.7846 -36.7831 -36.7831 -21.9664 -21.9664 -8.6945 -8.6945 -6.7740 -6.7740 -6.6863 -6.6863 -2.6242 -2.6242 -2.4597 -2.4597 2.3973 2.3973 2.4980 2.4980 3.3732 3.3732 3.8291 3.8291 4.2747 4.2747 4.5556 4.5556 7.6308 7.6308 7.7922 7.7922 9.2431 9.2431 9.4141 9.4141 k = 0.2879 0.4986 0.2944 ( 8238 PWs) bands (ev): -70.1329 -70.1329 -70.1328 -70.1328 -37.0737 -37.0737 -37.0732 -37.0732 -36.7877 -36.7877 -36.7862 -36.7862 -36.7846 -36.7846 -36.7831 -36.7831 -21.9666 -21.9666 -8.6939 -8.6939 -6.7740 -6.7740 -6.6844 -6.6844 -2.6437 -2.6437 -2.4505 -2.4505 2.3909 2.3909 2.4933 2.4933 3.4037 3.4037 3.8683 3.8683 4.2630 4.2630 4.5856 4.5856 7.6110 7.6110 7.7800 7.7800 9.2171 9.2171 9.4160 9.4160 k = 0.2803 0.4855 0.2944 ( 8238 PWs) bands (ev): -70.1329 -70.1329 -70.1328 -70.1328 -37.0738 -37.0738 -37.0731 -37.0731 -36.7877 -36.7877 -36.7862 -36.7862 -36.7845 -36.7845 -36.7831 -36.7831 -21.9667 -21.9667 -8.6932 -8.6932 -6.7738 -6.7738 -6.6823 -6.6823 -2.6637 -2.6637 -2.4431 -2.4431 2.3858 2.3858 2.4899 2.4899 3.4379 3.4379 3.9116 3.9116 4.2549 4.2549 4.6145 4.6145 7.5931 7.5931 7.7648 7.7648 9.1925 9.1925 9.3990 9.3991 k = 0.2727 0.4724 0.2944 ( 8242 PWs) bands (ev): -70.1329 -70.1329 -70.1328 -70.1328 -37.0738 -37.0738 -37.0731 -37.0731 -36.7877 -36.7877 -36.7863 -36.7863 -36.7845 -36.7845 -36.7831 -36.7831 -21.9670 -21.9670 -8.6923 -8.6923 -6.7733 -6.7733 -6.6801 -6.6801 -2.6839 -2.6839 -2.4376 -2.4376 2.3830 2.3830 2.4883 2.4883 3.4753 3.4753 3.9577 3.9577 4.2510 4.2510 4.6421 4.6421 7.5772 7.5772 7.7482 7.7482 9.1700 9.1700 9.3610 9.3610 k = 0.2652 0.4593 0.2944 ( 8244 PWs) bands (ev): -70.1329 -70.1329 -70.1328 -70.1328 -37.0738 -37.0738 -37.0730 -37.0730 -36.7877 -36.7877 -36.7863 -36.7863 -36.7845 -36.7845 -36.7831 -36.7831 -21.9672 -21.9672 -8.6913 -8.6913 -6.7726 -6.7726 -6.6779 -6.6779 -2.7043 -2.7043 -2.4343 -2.4343 2.3831 2.3831 2.4884 2.4884 3.5156 3.5156 4.0052 4.0052 4.2516 4.2516 4.6680 4.6680 7.5634 7.5634 7.7316 7.7316 9.1499 9.1499 9.3070 9.3070 k = 0.2576 0.4461 0.2944 ( 8236 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0739 -37.0739 -37.0730 -37.0730 -36.7876 -36.7876 -36.7863 -36.7863 -36.7845 -36.7845 -36.7831 -36.7831 -21.9675 -21.9675 -8.6902 -8.6902 -6.7715 -6.7715 -6.6756 -6.6756 -2.7249 -2.7249 -2.4331 -2.4331 2.3868 2.3868 2.4907 2.4907 3.5584 3.5584 4.0525 4.0525 4.2578 4.2578 4.6920 4.6920 7.5519 7.5519 7.7160 7.7160 9.1318 9.1318 9.2451 9.2451 k = 0.2500 0.4330 0.2944 ( 8234 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0739 -37.0739 -37.0729 -37.0729 -36.7876 -36.7876 -36.7863 -36.7863 -36.7845 -36.7845 -36.7831 -36.7831 -21.9678 -21.9678 -8.6889 -8.6889 -6.7701 -6.7701 -6.6734 -6.6734 -2.7457 -2.7457 -2.4341 -2.4341 2.3946 2.3946 2.4952 2.4952 3.6037 3.6037 4.0972 4.0972 4.2710 4.2710 4.7137 4.7137 7.5427 7.5427 7.7027 7.7027 9.1121 9.1121 9.1846 9.1846 k = 0.2424 0.4199 0.2944 ( 8258 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0740 -37.0740 -37.0729 -37.0729 -36.7877 -36.7877 -36.7864 -36.7864 -36.7845 -36.7845 -36.7832 -36.7832 -21.9682 -21.9682 -8.6875 -8.6875 -6.7683 -6.7683 -6.6711 -6.6711 -2.7664 -2.7664 -2.4374 -2.4374 2.4065 2.4065 2.5022 2.5022 3.6510 3.6510 4.1369 4.1369 4.2927 4.2927 4.7332 4.7332 7.5361 7.5361 7.6923 7.6923 9.0770 9.0770 9.1431 9.1431 k = 0.2348 0.4068 0.2944 ( 8254 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0741 -37.0741 -37.0728 -37.0728 -36.7876 -36.7876 -36.7864 -36.7864 -36.7844 -36.7844 -36.7832 -36.7832 -21.9685 -21.9685 -8.6860 -8.6860 -6.7663 -6.7663 -6.6688 -6.6688 -2.7871 -2.7871 -2.4430 -2.4430 2.4225 2.4225 2.5123 2.5123 3.7002 3.7002 4.1698 4.1698 4.3239 4.3239 4.7503 4.7503 7.5321 7.5321 7.6856 7.6856 9.0213 9.0213 9.1276 9.1276 k = 0.2273 0.3936 0.2944 ( 8250 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0741 -37.0741 -37.0728 -37.0728 -36.7876 -36.7876 -36.7864 -36.7864 -36.7844 -36.7844 -36.7832 -36.7832 -21.9689 -21.9689 -8.6843 -8.6843 -6.7639 -6.7639 -6.6665 -6.6665 -2.8078 -2.8078 -2.4507 -2.4507 2.4420 2.4420 2.5263 2.5263 3.7512 3.7512 4.1967 4.1967 4.3629 4.3629 4.7652 4.7652 7.5310 7.5310 7.6830 7.6830 8.9610 8.9610 9.1231 9.1231 k = 0.2197 0.3805 0.2944 ( 8246 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0741 -37.0741 -37.0727 -37.0727 -36.7876 -36.7876 -36.7864 -36.7864 -36.7844 -36.7844 -36.7832 -36.7832 -21.9694 -21.9694 -8.6825 -8.6825 -6.7613 -6.7613 -6.6642 -6.6642 -2.8283 -2.8283 -2.4606 -2.4606 2.4640 2.4640 2.5452 2.5452 3.8036 3.8036 4.2198 4.2198 4.4062 4.4062 4.7783 4.7783 7.5328 7.5328 7.6848 7.6848 8.9027 8.9027 9.1234 9.1234 k = 0.2121 0.3674 0.2944 ( 8246 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0742 -37.0742 -37.0726 -37.0726 -36.7876 -36.7876 -36.7864 -36.7864 -36.7844 -36.7844 -36.7831 -36.7831 -21.9698 -21.9698 -8.6806 -8.6806 -6.7584 -6.7584 -6.6618 -6.6618 -2.8485 -2.8485 -2.4725 -2.4725 2.4869 2.4869 2.5708 2.5708 3.8572 3.8572 4.2415 4.2415 4.4504 4.4504 4.7901 4.7901 7.5378 7.5378 7.6911 7.6911 8.8484 8.8484 9.1258 9.1258 k = 0.2045 0.3543 0.2944 ( 8246 PWs) bands (ev): -70.1330 -70.1330 -70.1327 -70.1327 -37.0742 -37.0742 -37.0726 -37.0726 -36.7876 -36.7876 -36.7864 -36.7864 -36.7844 -36.7844 -36.7831 -36.7831 -21.9703 -21.9703 -8.6786 -8.6786 -6.7554 -6.7554 -6.6592 -6.6592 -2.8686 -2.8686 -2.4864 -2.4864 2.5095 2.5095 2.6040 2.6040 3.9118 3.9118 4.2630 4.2630 4.4928 4.4928 4.8017 4.8017 7.5460 7.5460 7.7018 7.7018 8.7990 8.7990 9.1262 9.1262 k = 0.1970 0.3412 0.2944 ( 8242 PWs) bands (ev): -70.1330 -70.1330 -70.1327 -70.1327 -37.0743 -37.0743 -37.0725 -37.0725 -36.7876 -36.7876 -36.7864 -36.7864 -36.7843 -36.7843 -36.7831 -36.7831 -21.9708 -21.9708 -8.6765 -8.6765 -6.7524 -6.7524 -6.6565 -6.6565 -2.8883 -2.8883 -2.5020 -2.5020 2.5316 2.5316 2.6452 2.6452 3.9670 3.9670 4.2852 4.2852 4.5310 4.5310 4.8143 4.8143 7.5575 7.5575 7.7167 7.7167 8.7550 8.7550 9.0827 9.0827 k = 0.1894 0.3280 0.2944 ( 8258 PWs) bands (ev): -70.1330 -70.1330 -70.1327 -70.1327 -37.0743 -37.0743 -37.0725 -37.0725 -36.7876 -36.7876 -36.7864 -36.7864 -36.7843 -36.7843 -36.7831 -36.7831 -21.9714 -21.9714 -8.6743 -8.6743 -6.7492 -6.7492 -6.6536 -6.6536 -2.9076 -2.9076 -2.5193 -2.5193 2.5535 2.5535 2.6936 2.6936 4.0225 4.0225 4.3085 4.3085 4.5629 4.5629 4.8295 4.8295 7.5725 7.5725 7.7352 7.7352 8.7168 8.7168 9.0287 9.0287 k = 0.1818 0.3149 0.2944 ( 8248 PWs) bands (ev): -70.1330 -70.1330 -70.1327 -70.1327 -37.0744 -37.0744 -37.0724 -37.0724 -36.7876 -36.7876 -36.7864 -36.7864 -36.7843 -36.7843 -36.7831 -36.7831 -21.9719 -21.9719 -8.6721 -8.6721 -6.7462 -6.7462 -6.6504 -6.6504 -2.9266 -2.9266 -2.5381 -2.5381 2.5757 2.5757 2.7485 2.7485 4.0776 4.0776 4.3330 4.3330 4.5874 4.5874 4.8483 4.8483 7.5908 7.5908 7.7566 7.7566 8.6845 8.6845 8.9796 8.9796 k = 0.1742 0.3018 0.2944 ( 8244 PWs) bands (ev): -70.1330 -70.1330 -70.1327 -70.1327 -37.0744 -37.0744 -37.0724 -37.0724 -36.7876 -36.7876 -36.7864 -36.7864 -36.7843 -36.7843 -36.7831 -36.7831 -21.9725 -21.9725 -8.6698 -8.6698 -6.7432 -6.7432 -6.6468 -6.6468 -2.9451 -2.9451 -2.5581 -2.5581 2.5987 2.5987 2.8091 2.8091 4.1318 4.1318 4.3588 4.3588 4.6046 4.6046 4.8712 4.8712 7.6124 7.6124 7.7800 7.7800 8.6582 8.6582 8.9367 8.9367 k = 0.1667 0.2887 0.2944 ( 8236 PWs) bands (ev): -70.1330 -70.1330 -70.1327 -70.1327 -37.0744 -37.0744 -37.0723 -37.0723 -36.7876 -36.7876 -36.7864 -36.7864 -36.7843 -36.7843 -36.7831 -36.7831 -21.9730 -21.9730 -8.6674 -8.6674 -6.7404 -6.7404 -6.6429 -6.6429 -2.9631 -2.9631 -2.5793 -2.5793 2.6226 2.6226 2.8749 2.8749 4.1843 4.1843 4.3853 4.3853 4.6163 4.6163 4.8972 4.8972 7.6372 7.6372 7.8042 7.8042 8.6382 8.6382 8.9006 8.9006 k = 0.1591 0.2756 0.2944 ( 8220 PWs) bands (ev): -70.1331 -70.1331 -70.1327 -70.1327 -37.0744 -37.0744 -37.0723 -37.0723 -36.7876 -36.7876 -36.7864 -36.7864 -36.7843 -36.7843 -36.7831 -36.7831 -21.9736 -21.9736 -8.6651 -8.6651 -6.7379 -6.7379 -6.6386 -6.6386 -2.9805 -2.9805 -2.6013 -2.6013 2.6473 2.6473 2.9452 2.9452 4.2343 4.2343 4.4117 4.4117 4.6258 4.6258 4.9249 4.9249 7.6648 7.6648 7.8276 7.8276 8.6247 8.6247 8.8706 8.8706 k = 0.1515 0.2624 0.2944 ( 8224 PWs) bands (ev): -70.1331 -70.1331 -70.1327 -70.1327 -37.0745 -37.0745 -37.0723 -37.0723 -36.7876 -36.7876 -36.7864 -36.7864 -36.7843 -36.7843 -36.7831 -36.7831 -21.9742 -21.9742 -8.6627 -8.6627 -6.7357 -6.7357 -6.6339 -6.6339 -2.9974 -2.9974 -2.6240 -2.6240 2.6730 2.6730 3.0196 3.0196 4.2809 4.2809 4.4360 4.4360 4.6373 4.6373 4.9529 4.9529 7.6948 7.6948 7.8484 7.8484 8.6183 8.6183 8.8402 8.8402 k = 0.1439 0.2493 0.2944 ( 8228 PWs) bands (ev): -70.1331 -70.1331 -70.1327 -70.1327 -37.0745 -37.0745 -37.0722 -37.0722 -36.7876 -36.7876 -36.7863 -36.7863 -36.7843 -36.7843 -36.7831 -36.7831 -21.9748 -21.9748 -8.6603 -8.6603 -6.7338 -6.7338 -6.6287 -6.6287 -3.0137 -3.0137 -2.6471 -2.6471 2.6993 2.6993 3.0973 3.0973 4.3234 4.3234 4.4560 4.4560 4.6552 4.6552 4.9800 4.9800 7.7265 7.7265 7.8649 7.8649 8.6201 8.6201 8.7958 8.7958 k = 0.1364 0.2362 0.2944 ( 8224 PWs) bands (ev): -70.1331 -70.1331 -70.1327 -70.1327 -37.0746 -37.0746 -37.0722 -37.0722 -36.7876 -36.7876 -36.7863 -36.7863 -36.7843 -36.7843 -36.7831 -36.7831 -21.9754 -21.9754 -8.6580 -8.6580 -6.7322 -6.7322 -6.6231 -6.6231 -3.0293 -3.0293 -2.6706 -2.6706 2.7263 2.7263 3.1778 3.1778 4.3610 4.3610 4.4707 4.4707 4.6825 4.6825 5.0054 5.0054 7.7589 7.7589 7.8755 7.8755 8.6312 8.6312 8.7428 8.7428 k = 0.1288 0.2231 0.2944 ( 8228 PWs) bands (ev): -70.1331 -70.1331 -70.1327 -70.1327 -37.0746 -37.0746 -37.0721 -37.0721 -36.7877 -36.7877 -36.7863 -36.7863 -36.7843 -36.7843 -36.7830 -36.7830 -21.9759 -21.9759 -8.6557 -8.6557 -6.7309 -6.7309 -6.6172 -6.6172 -3.0442 -3.0442 -2.6941 -2.6941 2.7536 2.7536 3.2600 3.2600 4.3923 4.3923 4.4825 4.4825 4.7192 4.7192 5.0288 5.0288 7.7903 7.7903 7.8791 7.8791 8.6526 8.6526 8.6913 8.6913 k = 0.1212 0.2099 0.2944 ( 8216 PWs) bands (ev): -70.1331 -70.1331 -70.1327 -70.1327 -37.0746 -37.0746 -37.0721 -37.0721 -36.7876 -36.7876 -36.7863 -36.7863 -36.7843 -36.7843 -36.7830 -36.7830 -21.9765 -21.9765 -8.6534 -8.6534 -6.7300 -6.7300 -6.6110 -6.6110 -3.0584 -3.0584 -2.7175 -2.7175 2.7811 2.7811 3.3431 3.3431 4.4147 4.4147 4.4973 4.4973 4.7629 4.7629 5.0498 5.0498 7.8176 7.8176 7.8769 7.8769 8.6447 8.6447 8.6851 8.6851 k = 0.1136 0.1968 0.2944 ( 8216 PWs) bands (ev): -70.1331 -70.1331 -70.1327 -70.1327 -37.0746 -37.0746 -37.0721 -37.0721 -36.7877 -36.7877 -36.7862 -36.7862 -36.7844 -36.7844 -36.7830 -36.7830 -21.9771 -21.9771 -8.6513 -8.6513 -6.7293 -6.7293 -6.6045 -6.6045 -3.0719 -3.0719 -2.7406 -2.7406 2.8086 2.8086 3.4256 3.4256 4.4278 4.4278 4.5193 4.5193 4.8109 4.8109 5.0686 5.0686 7.8318 7.8318 7.8759 7.8759 8.6062 8.6062 8.7276 8.7276 k = 0.1061 0.1837 0.2944 ( 8216 PWs) bands (ev): -70.1331 -70.1331 -70.1327 -70.1327 -37.0747 -37.0747 -37.0720 -37.0720 -36.7877 -36.7877 -36.7862 -36.7862 -36.7844 -36.7844 -36.7830 -36.7830 -21.9776 -21.9776 -8.6492 -8.6492 -6.7289 -6.7289 -6.5980 -6.5980 -3.0846 -3.0846 -2.7631 -2.7631 2.8357 2.8357 3.5061 3.5061 4.4362 4.4362 4.5472 4.5472 4.8609 4.8609 5.0851 5.0851 7.8216 7.8216 7.8862 7.8862 8.5767 8.5767 8.7791 8.7791 k = 0.0985 0.1706 0.2944 ( 8206 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0747 -37.0747 -37.0720 -37.0720 -36.7877 -36.7877 -36.7862 -36.7862 -36.7844 -36.7844 -36.7830 -36.7830 -21.9781 -21.9781 -8.6472 -8.6472 -6.7287 -6.7287 -6.5914 -6.5914 -3.0966 -3.0966 -2.7850 -2.7850 2.8623 2.8623 3.5825 3.5825 4.4456 4.4456 4.5783 4.5783 4.9112 4.9112 5.0997 5.0997 7.7957 7.7957 7.8982 7.8982 8.5567 8.5567 8.8360 8.8360 k = 0.0909 0.1575 0.2944 ( 8216 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0747 -37.0747 -37.0720 -37.0720 -36.7877 -36.7877 -36.7862 -36.7862 -36.7844 -36.7844 -36.7830 -36.7830 -21.9786 -21.9786 -8.6453 -8.6453 -6.7286 -6.7286 -6.5848 -6.5848 -3.1077 -3.1077 -2.8061 -2.8061 2.8880 2.8880 3.6525 3.6525 4.4604 4.4604 4.6110 4.6110 4.9604 4.9604 5.1127 5.1127 7.7609 7.7609 7.9051 7.9051 8.5447 8.5447 8.8468 8.8468 k = 0.0833 0.1443 0.2944 ( 8206 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0747 -37.0747 -37.0719 -37.0719 -36.7877 -36.7877 -36.7861 -36.7861 -36.7844 -36.7844 -36.7830 -36.7830 -21.9791 -21.9791 -8.6435 -8.6435 -6.7287 -6.7287 -6.5783 -6.5783 -3.1179 -3.1179 -2.8261 -2.8261 2.9127 2.9127 3.7140 3.7140 4.4836 4.4836 4.6444 4.6444 5.0075 5.0075 5.1245 5.1245 7.7186 7.7186 7.9064 7.9064 8.5368 8.5368 8.7502 8.7502 k = 0.0758 0.1312 0.2944 ( 8210 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0747 -37.0747 -37.0719 -37.0719 -36.7877 -36.7877 -36.7861 -36.7861 -36.7844 -36.7844 -36.7830 -36.7830 -21.9795 -21.9795 -8.6418 -8.6418 -6.7289 -6.7289 -6.5721 -6.5721 -3.1274 -3.1274 -2.8450 -2.8450 2.9360 2.9360 3.7651 3.7651 4.5168 4.5168 4.6780 4.6780 5.0516 5.0516 5.1355 5.1355 7.6691 7.6691 7.9037 7.9037 8.5257 8.5257 8.6489 8.6489 k = 0.0682 0.1181 0.2944 ( 8206 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0747 -37.0747 -37.0719 -37.0719 -36.7877 -36.7877 -36.7861 -36.7861 -36.7845 -36.7845 -36.7829 -36.7829 -21.9799 -21.9799 -8.6403 -8.6403 -6.7292 -6.7292 -6.5662 -6.5662 -3.1359 -3.1359 -2.8625 -2.8625 2.9579 2.9579 3.8049 3.8049 4.5605 4.5605 4.7114 4.7114 5.0921 5.0921 5.1461 5.1461 7.6126 7.6126 7.8995 7.8995 8.4965 8.4965 8.5656 8.5656 k = 0.0606 0.1050 0.2944 ( 8194 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0719 -37.0719 -36.7877 -36.7877 -36.7861 -36.7861 -36.7845 -36.7845 -36.7829 -36.7829 -21.9803 -21.9803 -8.6389 -8.6389 -6.7295 -6.7295 -6.5607 -6.5607 -3.1436 -3.1436 -2.8786 -2.8786 2.9779 2.9779 3.8339 3.8339 4.6131 4.6131 4.7439 4.7439 5.1286 5.1286 5.1566 5.1566 7.5493 7.5493 7.8964 7.8964 8.4327 8.4327 8.5166 8.5166 k = 0.0530 0.0919 0.2944 ( 8198 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0718 -37.0718 -36.7877 -36.7877 -36.7861 -36.7861 -36.7845 -36.7845 -36.7829 -36.7829 -21.9806 -21.9806 -8.6377 -8.6377 -6.7298 -6.7298 -6.5556 -6.5556 -3.1504 -3.1504 -2.8931 -2.8931 2.9961 2.9961 3.8538 3.8538 4.6716 4.6716 4.7750 4.7750 5.1598 5.1598 5.1686 5.1686 7.4803 7.4803 7.8964 7.8964 8.3608 8.3608 8.4759 8.4759 k = 0.0455 0.0787 0.2944 ( 8194 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0718 -37.0718 -36.7877 -36.7877 -36.7860 -36.7860 -36.7845 -36.7845 -36.7829 -36.7829 -21.9809 -21.9809 -8.6366 -8.6366 -6.7302 -6.7302 -6.5510 -6.5510 -3.1563 -3.1563 -2.9059 -2.9059 3.0121 3.0121 3.8666 3.8666 4.7322 4.7322 4.8039 4.8039 5.1745 5.1745 5.1937 5.1937 7.4076 7.4076 7.9014 7.9014 8.2976 8.2976 8.4291 8.4291 k = 0.0379 0.0656 0.2944 ( 8194 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0718 -37.0718 -36.7877 -36.7877 -36.7860 -36.7860 -36.7845 -36.7845 -36.7829 -36.7829 -21.9811 -21.9811 -8.6357 -8.6357 -6.7305 -6.7305 -6.5471 -6.5471 -3.1613 -3.1613 -2.9169 -2.9169 3.0259 3.0259 3.8742 3.8742 4.7905 4.7905 4.8304 4.8304 5.1827 5.1827 5.2218 5.2218 7.3346 7.3346 7.9125 7.9125 8.2455 8.2455 8.3761 8.3761 k = 0.0303 0.0525 0.2944 ( 8198 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0718 -37.0718 -36.7877 -36.7877 -36.7860 -36.7860 -36.7845 -36.7845 -36.7829 -36.7829 -21.9814 -21.9814 -8.6349 -8.6349 -6.7307 -6.7307 -6.5437 -6.5437 -3.1654 -3.1654 -2.9260 -2.9260 3.0374 3.0374 3.8784 3.8784 4.8393 4.8393 4.8572 4.8572 5.1882 5.1882 5.2491 5.2491 7.2653 7.2653 7.9303 7.9303 8.2046 8.2046 8.3195 8.3195 k = 0.0227 0.0394 0.2944 ( 8186 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0718 -37.0718 -36.7877 -36.7877 -36.7860 -36.7860 -36.7845 -36.7845 -36.7829 -36.7829 -21.9815 -21.9815 -8.6344 -8.6344 -6.7310 -6.7310 -6.5411 -6.5411 -3.1686 -3.1686 -2.9332 -2.9332 3.0464 3.0464 3.8805 3.8805 4.8644 4.8644 4.8949 4.8949 5.1907 5.1907 5.2747 5.2747 7.2044 7.2044 7.9548 7.9548 8.1740 8.1740 8.2621 8.2621 k = 0.0152 0.0262 0.2944 ( 8174 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0718 -37.0718 -36.7877 -36.7877 -36.7860 -36.7860 -36.7845 -36.7845 -36.7829 -36.7829 -21.9816 -21.9816 -8.6339 -8.6339 -6.7311 -6.7311 -6.5392 -6.5392 -3.1708 -3.1708 -2.9384 -2.9384 3.0529 3.0529 3.8813 3.8813 4.8780 4.8780 4.9284 4.9284 5.1909 5.1909 5.2964 5.2964 7.1565 7.1565 7.9848 7.9848 8.1527 8.1527 8.2072 8.2072 k = 0.0076 0.0131 0.2944 ( 8174 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0718 -37.0718 -36.7877 -36.7877 -36.7860 -36.7860 -36.7845 -36.7845 -36.7829 -36.7829 -21.9817 -21.9817 -8.6337 -8.6337 -6.7312 -6.7312 -6.5380 -6.5380 -3.1722 -3.1722 -2.9415 -2.9415 3.0568 3.0568 3.8816 3.8816 4.8858 4.8858 4.9500 4.9500 5.1899 5.1899 5.3111 5.3111 7.1258 7.1258 8.0163 8.0163 8.1398 8.1398 8.1607 8.1607 k = 0.0000 0.0000 0.2944 ( 8198 PWs) bands (ev): -70.1331 -70.1331 -70.1326 -70.1326 -37.0748 -37.0748 -37.0718 -37.0718 -36.7877 -36.7877 -36.7860 -36.7860 -36.7845 -36.7845 -36.7829 -36.7829 -21.9817 -21.9817 -8.6336 -8.6336 -6.7313 -6.7313 -6.5377 -6.5377 -3.1727 -3.1727 -2.9426 -2.9426 3.0581 3.0581 3.8817 3.8817 4.8884 4.8884 4.9575 4.9575 5.1893 5.1893 5.3164 5.3164 7.1152 7.1152 8.0337 8.0337 8.1326 8.1326 8.1412 8.1412 k = 0.5000 0.2887 0.2944 ( 8268 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0740 -37.0740 -37.0729 -37.0729 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9678 -21.9678 -8.6908 -8.6908 -6.8029 -6.8029 -6.6326 -6.6326 -2.8208 -2.8208 -2.3434 -2.3434 2.1196 2.1196 2.3064 2.3064 3.8046 3.8046 4.0994 4.0994 4.8859 4.8859 5.3065 5.3065 6.7264 6.7264 7.4046 7.4046 8.2909 8.2909 8.6344 8.6344 k = 0.5000 0.2887 0.2797 ( 8266 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0740 -37.0740 -37.0729 -37.0729 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9678 -21.9678 -8.6908 -8.6908 -6.8029 -6.8029 -6.6326 -6.6326 -2.8201 -2.8201 -2.3442 -2.3442 2.1193 2.1193 2.3075 2.3075 3.8061 3.8061 4.1005 4.1005 4.8819 4.8820 5.3017 5.3017 6.7235 6.7235 7.4140 7.4140 8.2882 8.2882 8.6429 8.6429 k = 0.5000 0.2887 0.2650 ( 8268 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0740 -37.0740 -37.0729 -37.0729 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9678 -21.9678 -8.6909 -8.6909 -6.8029 -6.8029 -6.6326 -6.6326 -2.8181 -2.8181 -2.3467 -2.3467 2.1183 2.1183 2.3111 2.3111 3.8107 3.8107 4.1039 4.1039 4.8702 4.8702 5.2877 5.2877 6.7155 6.7155 7.4414 7.4414 8.2815 8.2815 8.6671 8.6671 k = 0.5000 0.2887 0.2503 ( 8254 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0739 -37.0739 -37.0729 -37.0729 -36.7875 -36.7875 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9678 -21.9678 -8.6909 -8.6909 -6.8030 -6.8030 -6.6326 -6.6326 -2.8148 -2.8148 -2.3508 -2.3508 2.1164 2.1164 2.3174 2.3174 3.8182 3.8182 4.1096 4.1096 4.8507 4.8507 5.2653 5.2653 6.7034 6.7034 7.4847 7.4847 8.2736 8.2736 8.7038 8.7038 k = 0.5000 0.2887 0.2356 ( 8272 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0740 -37.0740 -37.0729 -37.0729 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9678 -21.9678 -8.6909 -8.6909 -6.8030 -6.8030 -6.6326 -6.6326 -2.8102 -2.8102 -2.3565 -2.3565 2.1132 2.1132 2.3268 2.3268 3.8284 3.8284 4.1174 4.1174 4.8235 4.8235 5.2359 5.2359 6.6885 6.6885 7.5410 7.5410 8.2680 8.2680 8.7495 8.7495 k = 0.5000 0.2887 0.2208 ( 8264 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0740 -37.0740 -37.0729 -37.0729 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9678 -21.9678 -8.6909 -8.6909 -6.8031 -6.8031 -6.6326 -6.6326 -2.8042 -2.8042 -2.3638 -2.3638 2.1085 2.1085 2.3396 2.3396 3.8410 3.8410 4.1273 4.1273 4.7890 4.7890 5.2011 5.2011 6.6720 6.6720 7.6070 7.6070 8.2673 8.2673 8.8015 8.8015 k = 0.5000 0.2887 0.2061 ( 8266 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0740 -37.0740 -37.0729 -37.0729 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9678 -21.9678 -8.6909 -8.6909 -6.8032 -6.8032 -6.6325 -6.6325 -2.7971 -2.7971 -2.3725 -2.3725 2.1022 2.1022 2.3560 2.3560 3.8558 3.8558 4.1391 4.1391 4.7476 4.7476 5.1623 5.1623 6.6547 6.6547 7.6796 7.6796 8.2738 8.2738 8.8572 8.8572 k = 0.5000 0.2887 0.1914 ( 8254 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0739 -37.0739 -37.0729 -37.0729 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9678 -21.9678 -8.6909 -8.6909 -6.8032 -6.8032 -6.6325 -6.6325 -2.7887 -2.7887 -2.3826 -2.3826 2.0944 2.0944 2.3760 2.3760 3.8724 3.8724 4.1529 4.1529 4.7001 4.7001 5.1209 5.1209 6.6372 6.6372 7.7556 7.7556 8.2893 8.2893 8.9146 8.9146 k = 0.5000 0.2887 0.1767 ( 8250 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0739 -37.0739 -37.0729 -37.0729 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9678 -21.9678 -8.6909 -8.6909 -6.8033 -6.8033 -6.6325 -6.6325 -2.7791 -2.7791 -2.3941 -2.3941 2.0853 2.0853 2.3993 2.3993 3.8904 3.8904 4.1683 4.1683 4.6473 4.6473 5.0779 5.0779 6.6198 6.6198 7.8317 7.8317 8.3154 8.3154 8.9720 8.9720 k = 0.5000 0.2887 0.1619 ( 8246 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0739 -37.0739 -37.0729 -37.0729 -36.7875 -36.7875 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9678 -21.9678 -8.6909 -8.6909 -6.8034 -6.8034 -6.6324 -6.6324 -2.7684 -2.7684 -2.4067 -2.4067 2.0754 2.0754 2.4256 2.4256 3.9095 3.9095 4.1853 4.1853 4.5904 4.5904 5.0342 5.0342 6.6028 6.6028 7.9050 7.9050 8.3532 8.3532 9.0277 9.0277 k = 0.5000 0.2887 0.1472 ( 8242 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0739 -37.0739 -37.0729 -37.0729 -36.7875 -36.7875 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9678 -21.9678 -8.6909 -8.6909 -6.8035 -6.8035 -6.6324 -6.6324 -2.7567 -2.7567 -2.4205 -2.4205 2.0648 2.0648 2.4543 2.4543 3.9291 3.9291 4.2038 4.2038 4.5309 4.5309 4.9904 4.9904 6.5863 6.5863 7.9734 7.9734 8.4024 8.4024 9.0806 9.0806 k = 0.5000 0.2887 0.1325 ( 8242 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0739 -37.0739 -37.0729 -37.0729 -36.7875 -36.7875 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9678 -21.9678 -8.6909 -8.6909 -6.8036 -6.8036 -6.6324 -6.6324 -2.7439 -2.7439 -2.4353 -2.4353 2.0540 2.0540 2.4847 2.4847 3.9489 3.9489 4.2235 4.2235 4.4701 4.4701 4.9467 4.9467 6.5707 6.5707 8.0362 8.0362 8.4609 8.4609 9.1302 9.1302 k = 0.5000 0.2887 0.1178 ( 8242 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0739 -37.0739 -37.0729 -37.0729 -36.7875 -36.7875 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9678 -21.9678 -8.6909 -8.6909 -6.8037 -6.8037 -6.6323 -6.6323 -2.7301 -2.7301 -2.4510 -2.4510 2.0435 2.0435 2.5163 2.5163 3.9684 3.9684 4.2443 4.2443 4.4096 4.4096 4.9037 4.9037 6.5560 6.5560 8.0940 8.0940 8.5243 8.5243 9.1771 9.1771 k = 0.5000 0.2887 0.1031 ( 8242 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0739 -37.0739 -37.0729 -37.0729 -36.7875 -36.7875 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9678 -21.9678 -8.6909 -8.6909 -6.8038 -6.8038 -6.6323 -6.6323 -2.7155 -2.7155 -2.4675 -2.4675 2.0334 2.0334 2.5481 2.5481 3.9872 3.9872 4.2656 4.2656 4.3512 4.3512 4.8616 4.8616 6.5425 6.5425 8.1480 8.1480 8.5866 8.5866 9.2232 9.2232 k = 0.5000 0.2887 0.0883 ( 8234 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0739 -37.0739 -37.0729 -37.0729 -36.7875 -36.7875 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9678 -21.9678 -8.6909 -8.6909 -6.8039 -6.8039 -6.6323 -6.6323 -2.7001 -2.7001 -2.4846 -2.4846 2.0241 2.0241 2.5792 2.5792 4.0048 4.0048 4.2818 4.2818 4.3017 4.3017 4.8209 4.8209 6.5304 6.5304 8.1994 8.1994 8.6411 8.6411 9.2716 9.2716 k = 0.5000 0.2887 0.0736 ( 8246 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0739 -37.0739 -37.0729 -37.0729 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9678 -21.9678 -8.6909 -8.6909 -6.8039 -6.8039 -6.6322 -6.6322 -2.6839 -2.6839 -2.5022 -2.5022 2.0158 2.0158 2.6084 2.6084 4.0209 4.0209 4.2417 4.2417 4.3134 4.3134 4.7823 4.7823 6.5198 6.5198 8.2488 8.2488 8.6820 8.6820 9.3255 9.3255 k = 0.5000 0.2887 0.0589 ( 8244 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0739 -37.0739 -37.0729 -37.0729 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9678 -21.9678 -8.6909 -8.6909 -6.8040 -6.8040 -6.6322 -6.6322 -2.6672 -2.6672 -2.5203 -2.5203 2.0087 2.0087 2.6348 2.6348 4.0351 4.0351 4.1972 4.1972 4.3351 4.3351 4.7466 4.7466 6.5108 6.5108 8.2957 8.2957 8.7064 8.7064 9.3857 9.3857 k = 0.5000 0.2887 0.0442 ( 8228 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0739 -37.0739 -37.0729 -37.0729 -36.7875 -36.7875 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9678 -21.9678 -8.6909 -8.6909 -6.8041 -6.8041 -6.6322 -6.6322 -2.6499 -2.6499 -2.5386 -2.5386 2.0031 2.0031 2.6569 2.6569 4.0474 4.0474 4.1596 4.1596 4.3559 4.3559 4.7151 4.7151 6.5037 6.5037 8.3387 8.3387 8.7154 8.7154 9.4492 9.4492 k = 0.5000 0.2887 0.0294 ( 8250 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0739 -37.0739 -37.0729 -37.0729 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9678 -21.9678 -8.6909 -8.6909 -6.8041 -6.8041 -6.6322 -6.6322 -2.6323 -2.6323 -2.5569 -2.5569 1.9989 1.9989 2.6738 2.6738 4.0576 4.0576 4.1303 4.1303 4.3736 4.3736 4.6895 4.6895 6.4986 6.4986 8.3749 8.3749 8.7137 8.7137 9.5083 9.5083 k = 0.5000 0.2887 0.0147 ( 8258 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0740 -37.0740 -37.0729 -37.0729 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9678 -21.9678 -8.6909 -8.6909 -6.8041 -6.8041 -6.6322 -6.6322 -2.6147 -2.6147 -2.5749 -2.5749 1.9964 1.9964 2.6843 2.6843 4.0657 4.0657 4.1103 4.1103 4.3859 4.3859 4.6725 4.6725 6.4955 6.4955 8.4000 8.4000 8.7080 8.7080 9.5517 9.5518 k = 0.5000 0.2887-0.0000 ( 8260 PWs) bands (ev): -70.1330 -70.1330 -70.1328 -70.1328 -37.0740 -37.0740 -37.0729 -37.0729 -36.7876 -36.7876 -36.7865 -36.7865 -36.7843 -36.7843 -36.7832 -36.7832 -21.9678 -21.9678 -8.6909 -8.6909 -6.8041 -6.8041 -6.6322 -6.6322 -2.6021 -2.6021 -2.5877 -2.5877 1.9956 1.9956 2.6879 2.6879 4.0695 4.0695 4.1024 4.1024 4.3904 4.3904 4.6665 4.6665 6.4944 6.4944 8.4091 8.4091 8.7051 8.7051 9.5680 9.5680 k = 0.3333 0.5774-0.0000 ( 8253 PWs) bands (ev): -70.1329 -70.1329 -70.1329 -70.1329 -37.0735 -37.0735 -37.0734 -37.0734 -36.7877 -36.7877 -36.7862 -36.7862 -36.7846 -36.7846 -36.7831 -36.7831 -21.9661 -21.9661 -8.6958 -8.6958 -6.7739 -6.7739 -6.6917 -6.6917 -2.5370 -2.5370 -2.5028 -2.5028 2.3275 2.3275 2.4715 2.4715 2.8913 2.8913 4.3037 4.3037 4.3801 4.3801 4.4506 4.4506 8.3579 8.3579 8.7123 8.7123 8.7424 8.7424 8.9374 8.9374 k = 0.3333 0.5774 0.0147 ( 8241 PWs) bands (ev): -70.1329 -70.1329 -70.1329 -70.1329 -37.0735 -37.0735 -37.0734 -37.0734 -36.7877 -36.7877 -36.7862 -36.7862 -36.7846 -36.7846 -36.7831 -36.7831 -21.9661 -21.9661 -8.6958 -8.6958 -6.7739 -6.7739 -6.6917 -6.6917 -2.5370 -2.5370 -2.5029 -2.5029 2.3280 2.3280 2.4718 2.4718 2.8927 2.8927 4.3030 4.3030 4.3800 4.3800 4.4484 4.4484 8.3623 8.3623 8.6811 8.6811 8.7173 8.7173 8.9707 8.9707 k = 0.3333 0.5774 0.0294 ( 8247 PWs) bands (ev): -70.1329 -70.1329 -70.1329 -70.1329 -37.0735 -37.0735 -37.0734 -37.0734 -36.7877 -36.7877 -36.7862 -36.7862 -36.7846 -36.7846 -36.7831 -36.7831 -21.9661 -21.9661 -8.6958 -8.6958 -6.7739 -6.7739 -6.6917 -6.6917 -2.5372 -2.5372 -2.5031 -2.5031 2.3297 2.3297 2.4728 2.4728 2.8971 2.8971 4.3007 4.3007 4.3796 4.3796 4.4420 4.4420 8.3754 8.3754 8.6151 8.6151 8.6583 8.6583 9.0428 9.0428 k = 0.3333 0.5774 0.0442 ( 8256 PWs) bands (ev): -70.1329 -70.1329 -70.1329 -70.1329 -37.0735 -37.0735 -37.0734 -37.0734 -36.7877 -36.7877 -36.7862 -36.7862 -36.7846 -36.7846 -36.7831 -36.7831 -21.9661 -21.9661 -8.6958 -8.6958 -6.7739 -6.7739 -6.6917 -6.6917 -2.5375 -2.5375 -2.5035 -2.5035 2.3324 2.3324 2.4744 2.4744 2.9044 2.9044 4.2959 4.2959 4.3790 4.3790 4.4323 4.4323 8.3967 8.3967 8.5398 8.5398 8.5863 8.5863 9.1285 9.1285 k = 0.3333 0.5774 0.0589 ( 8256 PWs) bands (ev): -70.1329 -70.1329 -70.1329 -70.1329 -37.0735 -37.0735 -37.0734 -37.0734 -36.7877 -36.7877 -36.7862 -36.7862 -36.7846 -36.7846 -36.7831 -36.7831 -21.9661 -21.9661 -8.6958 -8.6958 -6.7738 -6.7738 -6.6917 -6.6917 -2.5378 -2.5378 -2.5041 -2.5041 2.3360 2.3360 2.4765 2.4765 2.9146 2.9146 4.2875 4.2875 4.3783 4.3783 4.4211 4.4211 8.4233 8.4233 8.4629 8.4629 8.5125 8.5125 9.2198 9.2198 k = 0.3333 0.5774 0.0736 ( 8259 PWs) bands (ev): -70.1329 -70.1329 -70.1329 -70.1329 -37.0735 -37.0735 -37.0734 -37.0734 -36.7877 -36.7877 -36.7862 -36.7862 -36.7846 -36.7846 -36.7831 -36.7831 -21.9661 -21.9661 -8.6958 -8.6958 -6.7738 -6.7738 -6.6917 -6.6917 -2.5383 -2.5383 -2.5048 -2.5048 2.3406 2.3406 2.4791 2.4791 2.9276 2.9276 4.2737 4.2737 4.3773 4.3773 4.4104 4.4104 8.3872 8.3872 8.4169 8.4169 8.4789 8.4789 9.3138 9.3138 k = 0.3333 0.5774 0.0883 ( 8253 PWs) bands (ev): -70.1329 -70.1329 -70.1329 -70.1329 -37.0735 -37.0735 -37.0734 -37.0734 -36.7877 -36.7877 -36.7862 -36.7862 -36.7846 -36.7846 -36.7831 -36.7831 -21.9661 -21.9661 -8.6958 -8.6958 -6.7737 -6.7737 -6.6917 -6.6917 -2.5388 -2.5388 -2.5056 -2.5056 2.3460 2.3460 2.4822 2.4822 2.9434 2.9434 4.2529 4.2529 4.3761 4.3761 4.4021 4.4021 8.3139 8.3139 8.3476 8.3476 8.5163 8.5163 9.4092 9.4093 k = 0.3333 0.5774 0.1031 ( 8265 PWs) bands (ev): -70.1329 -70.1329 -70.1329 -70.1329 -37.0735 -37.0735 -37.0734 -37.0734 -36.7877 -36.7877 -36.7862 -36.7862 -36.7846 -36.7846 -36.7831 -36.7831 -21.9661 -21.9661 -8.6958 -8.6958 -6.7736 -6.7736 -6.6917 -6.6917 -2.5394 -2.5394 -2.5065 -2.5065 2.3521 2.3521 2.4857 2.4857 2.9620 2.9620 4.2248 4.2248 4.3747 4.3747 4.3972 4.3972 8.2438 8.2438 8.2746 8.2746 8.5657 8.5657 9.4337 9.4337 k = 0.3333 0.5774 0.1178 ( 8259 PWs) bands (ev): -70.1329 -70.1329 -70.1329 -70.1329 -37.0735 -37.0735 -37.0734 -37.0734 -36.7877 -36.7877 -36.7862 -36.7862 -36.7846 -36.7846 -36.7831 -36.7831 -21.9661 -21.9661 -8.6958 -8.6958 -6.7735 -6.7735 -6.6917 -6.6917 -2.5401 -2.5401 -2.5075 -2.5075 2.3587 2.3587 2.4894 2.4894 2.9832 2.9832 4.1903 4.1903 4.3732 4.3732 4.3954 4.3954 8.1772 8.1772 8.2039 8.2039 8.6209 8.6209 9.4501 9.4501 k = 0.3333 0.5774 0.1325 ( 8265 PWs) bands (ev): -70.1329 -70.1329 -70.1329 -70.1329 -37.0735 -37.0735 -37.0734 -37.0734 -36.7877 -36.7877 -36.7862 -36.7862 -36.7846 -36.7846 -36.7831 -36.7831 -21.9661 -21.9661 -8.6958 -8.6958 -6.7734 -6.7734 -6.6917 -6.6917 -2.5408 -2.5408 -2.5086 -2.5086 2.3656 2.3656 2.4932 2.4932 3.0070 3.0070 4.1505 4.1505 4.3717 4.3717 4.3960 4.3960 8.1146 8.1146 8.1365 8.1365 8.6805 8.6805 9.4654 9.4654 k = 0.3333 0.5774 0.1472 ( 8277 PWs) bands (ev): -70.1329 -70.1329 -70.1329 -70.1329 -37.0735 -37.0735 -37.0734 -37.0734 -36.7877 -36.7877 -36.7862 -36.7862 -36.7846 -36.7846 -36.7831 -36.7831 -21.9661 -21.9661 -8.6958 -8.6958 -6.7734 -6.7734 -6.6917 -6.6917 -2.5415 -2.5415 -2.5096 -2.5096 2.3728 2.3728 2.4971 2.4971 3.0331 3.0331 4.1068 4.1068 4.3700 4.3700 4.3982 4.3982 8.0564 8.0564 8.0732 8.0732 8.7432 8.7432 9.4793 9.4793 k = 0.3333 0.5774 0.1619 ( 8259 PWs) bands (ev): -70.1329 -70.1329 -70.1329 -70.1329 -37.0735 -37.0735 -37.0734 -37.0734 -36.7877 -36.7877 -36.7862 -36.7862 -36.7846 -36.7846 -36.7831 -36.7831 -21.9661 -21.9661 -8.6957 -8.6957 -6.7733 -6.7733 -6.6918 -6.6918 -2.5422 -2.5422 -2.5107 -2.5107 2.3801 2.3801 2.5010 2.5010 3.0614 3.0614 4.0605 4.0605 4.3683 4.3683 4.4015 4.4015 8.0028 8.0028 8.0144 8.0144 8.8080 8.8080 9.4910 9.4910 k = 0.3333 0.5774 0.1767 ( 8247 PWs) bands (ev): -70.1329 -70.1329 -70.1329 -70.1329 -37.0735 -37.0735 -37.0734 -37.0734 -36.7877 -36.7877 -36.7862 -36.7862 -36.7846 -36.7846 -36.7831 -36.7831 -21.9661 -21.9661 -8.6957 -8.6957 -6.7732 -6.7732 -6.6918 -6.6918 -2.5428 -2.5428 -2.5117 -2.5117 2.3872 2.3872 2.5048 2.5048 3.0916 3.0916 4.0125 4.0125 4.3666 4.3666 4.4053 4.4053 7.9540 7.9540 7.9606 7.9606 8.8738 8.8738 9.4994 9.4994 k = 0.3333 0.5774 0.1914 ( 8265 PWs) bands (ev): -70.1329 -70.1329 -70.1329 -70.1329 -37.0735 -37.0735 -37.0734 -37.0734 -36.7877 -36.7877 -36.7862 -36.7862 -36.7846 -36.7846 -36.7831 -36.7831 -21.9661 -21.9661 -8.6957 -8.6957 -6.7731 -6.7731 -6.6918 -6.6918 -2.5435 -2.5435 -2.5127 -2.5127 2.3939 2.3939 2.5084 2.5084 3.1232 3.1232 3.9639 3.9639 4.3650 4.3650 4.4095 4.4095 7.9104 7.9104 7.9120 7.9120 8.9398 8.9398 9.5033 9.5033 k = 0.3333 0.5774 0.2061 ( 8271 PWs) bands (ev): -70.1329 -70.1329 -70.1329 -70.1329 -37.0735 -37.0735 -37.0734 -37.0734 -36.7877 -36.7877 -36.7862 -36.7862 -36.7846 -36.7846 -36.7831 -36.7831 -21.9661 -21.9661 -8.6957 -8.6957 -6.7730 -6.7730 -6.6918 -6.6918 -2.5441 -2.5441 -2.5136 -2.5136 2.4002 2.4002 2.5117 2.5117 3.1558 3.1558 3.9157 3.9157 4.3635 4.3635 4.4136 4.4136 7.8692 7.8692 7.8722 7.8722 9.0049 9.0049 9.5016 9.5016 k = 0.3333 0.5774 0.2208 ( 8262 PWs) bands (ev): -70.1329 -70.1329 -70.1329 -70.1329 -37.0735 -37.0735 -37.0734 -37.0734 -36.7877 -36.7877 -36.7862 -36.7862 -36.7846 -36.7846 -36.7831 -36.7831 -21.9661 -21.9661 -8.6957 -8.6957 -6.7729 -6.7729 -6.6918 -6.6918 -2.5446 -2.5446 -2.5144 -2.5144 2.4059 2.4059 2.5146 2.5146 3.1885 3.1885 3.8691 3.8691 4.3621 4.3621 4.4174 4.4174 7.8324 7.8324 7.8395 7.8395 9.0685 9.0685 9.4936 9.4936 k = 0.3333 0.5774 0.2356 ( 8256 PWs) bands (ev): -70.1329 -70.1329 -70.1329 -70.1329 -37.0735 -37.0735 -37.0734 -37.0734 -36.7877 -36.7877 -36.7862 -36.7862 -36.7846 -36.7846 -36.7831 -36.7831 -21.9661 -21.9661 -8.6957 -8.6957 -6.7729 -6.7729 -6.6918 -6.6918 -2.5451 -2.5451 -2.5151 -2.5151 2.4107 2.4107 2.5171 2.5171 3.2202 3.2202 3.8256 3.8256 4.3609 4.3609 4.4209 4.4209 7.8019 7.8019 7.8125 7.8125 9.1297 9.1297 9.4786 9.4786 k = 0.3333 0.5774 0.2503 ( 8250 PWs) bands (ev): -70.1329 -70.1329 -70.1329 -70.1329 -37.0735 -37.0735 -37.0734 -37.0734 -36.7877 -36.7877 -36.7862 -36.7862 -36.7846 -36.7846 -36.7831 -36.7831 -21.9661 -21.9661 -8.6957 -8.6957 -6.7728 -6.7728 -6.6918 -6.6918 -2.5454 -2.5454 -2.5157 -2.5157 2.4146 2.4146 2.5190 2.5190 3.2493 3.2493 3.7871 3.7871 4.3600 4.3600 4.4237 4.4237 7.7779 7.7779 7.7913 7.7913 9.1877 9.1877 9.4569 9.4569 k = 0.3333 0.5774 0.2650 ( 8256 PWs) bands (ev): -70.1329 -70.1329 -70.1329 -70.1329 -37.0735 -37.0735 -37.0734 -37.0734 -36.7877 -36.7877 -36.7862 -36.7862 -36.7846 -36.7846 -36.7831 -36.7831 -21.9661 -21.9661 -8.6957 -8.6957 -6.7728 -6.7728 -6.6918 -6.6918 -2.5457 -2.5457 -2.5161 -2.5161 2.4174 2.4174 2.5205 2.5205 3.2735 3.2735 3.7561 3.7561 4.3592 4.3592 4.4258 4.4258 7.7606 7.7606 7.7762 7.7762 9.2415 9.2415 9.4292 9.4292 k = 0.3333 0.5774 0.2797 ( 8256 PWs) bands (ev): -70.1329 -70.1329 -70.1329 -70.1329 -37.0735 -37.0735 -37.0734 -37.0734 -36.7877 -36.7877 -36.7862 -36.7862 -36.7846 -36.7846 -36.7831 -36.7831 -21.9661 -21.9661 -8.6957 -8.6957 -6.7728 -6.7728 -6.6918 -6.6918 -2.5459 -2.5459 -2.5163 -2.5163 2.4192 2.4192 2.5214 2.5214 3.2898 3.2898 3.7356 3.7356 4.3588 4.3588 4.4271 4.4271 7.7502 7.7502 7.7670 7.7670 9.2884 9.2884 9.3979 9.3979 k = 0.3333 0.5774 0.2944 ( 8250 PWs) bands (ev): -70.1329 -70.1329 -70.1329 -70.1329 -37.0735 -37.0735 -37.0734 -37.0734 -36.7877 -36.7877 -36.7862 -36.7862 -36.7846 -36.7846 -36.7831 -36.7831 -21.9661 -21.9661 -8.6957 -8.6957 -6.7728 -6.7728 -6.6918 -6.6918 -2.5459 -2.5459 -2.5164 -2.5164 2.4198 2.4198 2.5217 2.5217 3.2957 3.2957 3.7284 3.7284 4.3587 4.3587 4.4275 4.4275 7.7467 7.7467 7.7640 7.7640 9.3137 9.3137 9.3777 9.3777 Writing output data file BaxMgSbx2.save init_run : 0.46s CPU 0.65s WALL ( 1 calls) electrons : 196.04s CPU 198.33s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 196.04s CPU 198.32s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.12s CPU 0.19s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.10s WALL ( 279 calls) cegterg : 182.46s CPU 184.17s WALL ( 547 calls) Called by sum_band: Called by *egterg: h_psi : 115.86s CPU 117.28s WALL ( 8792 calls) s_psi : 5.27s CPU 5.32s WALL ( 8792 calls) g_psi : 0.36s CPU 0.36s WALL ( 7966 calls) cdiaghg : 47.86s CPU 47.72s WALL ( 8245 calls) cegterg:over : 7.61s CPU 7.95s WALL ( 7966 calls) cegterg:upda : 8.50s CPU 8.81s WALL ( 7966 calls) cegterg:last : 3.54s CPU 3.60s WALL ( 1105 calls) cdiaghg:chol : 2.66s CPU 2.76s WALL ( 8245 calls) cdiaghg:inve : 1.68s CPU 1.68s WALL ( 8245 calls) cdiaghg:para : 2.75s CPU 2.71s WALL ( 16490 calls) Called by h_psi: h_psi:vloc : 103.84s CPU 105.15s WALL ( 8792 calls) h_psi:vnl : 11.65s CPU 11.72s WALL ( 8792 calls) add_vuspsi : 5.65s CPU 5.73s WALL ( 8792 calls) General routines calbec : 5.94s CPU 5.96s WALL ( 8792 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 97.12s CPU 98.33s WALL ( 636476 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.23s CPU 0.29s WALL ( 558 calls) Parallel routines fft_scatter : 30.94s CPU 31.46s WALL ( 636499 calls) PWSCF : 3m36.01s CPU 3m48.56s WALL This run was terminated on: 14: 8:50 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=