Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 20:28:23 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: ./SrxMgAsx2.save/ 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 51 31 8 2993 1427 214 Max 52 32 9 3001 1448 225 Sum 1843 1135 313 107889 51627 7933 bravais-lattice index = 14 lattice parameter (alat) = 8.3337 a.u. unit-cell volume = 842.2141 (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)= 8.333692 celldm(2)= 1.000000 celldm(3)= 1.680272 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 1.680272 ) 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 0.595142 ) PseudoPot. # 1 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 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 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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 PseudoPot. # 3 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 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 1221 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential As 5.00 74.92160 As( 1.00) Mg 10.00 24.30500 Mg( 1.00) Sr 10.00 87.62000 Sr( 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= 303 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 2) = ( 0.0119048 0.0068732 -0.0000000), wk = 0.0033003 k( 3) = ( 0.0238095 0.0137464 -0.0000000), wk = 0.0033003 k( 4) = ( 0.0357143 0.0206197 -0.0000000), wk = 0.0033003 k( 5) = ( 0.0476191 0.0274929 -0.0000000), wk = 0.0033003 k( 6) = ( 0.0595238 0.0343661 -0.0000000), wk = 0.0033003 k( 7) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0033003 k( 8) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0033003 k( 9) = ( 0.0952381 0.0549857 -0.0000000), wk = 0.0033003 k( 10) = ( 0.1071429 0.0618590 -0.0000000), wk = 0.0033003 k( 11) = ( 0.1190476 0.0687322 -0.0000000), wk = 0.0033003 k( 12) = ( 0.1309524 0.0756054 -0.0000000), wk = 0.0033003 k( 13) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0033003 k( 14) = ( 0.1547619 0.0893518 -0.0000000), wk = 0.0033003 k( 15) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0033003 k( 16) = ( 0.1785714 0.1030983 -0.0000000), wk = 0.0033003 k( 17) = ( 0.1904762 0.1099715 -0.0000000), wk = 0.0033003 k( 18) = ( 0.2023810 0.1168447 -0.0000000), wk = 0.0033003 k( 19) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0033003 k( 20) = ( 0.2261905 0.1305911 -0.0000000), wk = 0.0033003 k( 21) = ( 0.2380952 0.1374644 -0.0000000), wk = 0.0033003 k( 22) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0033003 k( 23) = ( 0.2619048 0.1512108 -0.0000000), wk = 0.0033003 k( 24) = ( 0.2738095 0.1580840 -0.0000000), wk = 0.0033003 k( 25) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0033003 k( 26) = ( 0.2976190 0.1718304 -0.0000000), wk = 0.0033003 k( 27) = ( 0.3095238 0.1787037 -0.0000000), wk = 0.0033003 k( 28) = ( 0.3214286 0.1855769 -0.0000000), wk = 0.0033003 k( 29) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0033003 k( 30) = ( 0.3452381 0.1993233 -0.0000000), wk = 0.0033003 k( 31) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0033003 k( 32) = ( 0.3690476 0.2130697 -0.0000000), wk = 0.0033003 k( 33) = ( 0.3809524 0.2199430 -0.0000000), wk = 0.0033003 k( 34) = ( 0.3928571 0.2268162 -0.0000000), wk = 0.0033003 k( 35) = ( 0.4047619 0.2336894 -0.0000000), wk = 0.0033003 k( 36) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0033003 k( 37) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0033003 k( 38) = ( 0.4404762 0.2543090 -0.0000000), wk = 0.0033003 k( 39) = ( 0.4523810 0.2611823 -0.0000000), wk = 0.0033003 k( 40) = ( 0.4642857 0.2680555 -0.0000000), wk = 0.0033003 k( 41) = ( 0.4761905 0.2749287 -0.0000000), wk = 0.0033003 k( 42) = ( 0.4880952 0.2818019 -0.0000000), wk = 0.0033003 k( 43) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033003 k( 44) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033003 k( 45) = ( 0.4930556 0.3007033 -0.0000000), wk = 0.0033003 k( 46) = ( 0.4861111 0.3127314 -0.0000000), wk = 0.0033003 k( 47) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0033003 k( 48) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0033003 k( 49) = ( 0.4652778 0.3488158 -0.0000000), wk = 0.0033003 k( 50) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0033003 k( 51) = ( 0.4513889 0.3728720 -0.0000000), wk = 0.0033003 k( 52) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0033003 k( 53) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0033003 k( 54) = ( 0.4305556 0.4089564 -0.0000000), wk = 0.0033003 k( 55) = ( 0.4236111 0.4209846 -0.0000000), wk = 0.0033003 k( 56) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0033003 k( 57) = ( 0.4097222 0.4450408 -0.0000000), wk = 0.0033003 k( 58) = ( 0.4027778 0.4570690 -0.0000000), wk = 0.0033003 k( 59) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0033003 k( 60) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0033003 k( 61) = ( 0.3819444 0.4931534 -0.0000000), wk = 0.0033003 k( 62) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0033003 k( 63) = ( 0.3680556 0.5172096 -0.0000000), wk = 0.0033003 k( 64) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0033003 k( 65) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0033003 k( 66) = ( 0.3472222 0.5532940 -0.0000000), wk = 0.0033003 k( 67) = ( 0.3402778 0.5653221 -0.0000000), wk = 0.0033003 k( 68) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033003 k( 69) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033003 k( 70) = ( 0.3263889 0.5653221 -0.0000000), wk = 0.0033003 k( 71) = ( 0.3194444 0.5532940 -0.0000000), wk = 0.0033003 k( 72) = ( 0.3125000 0.5412659 -0.0000000), wk = 0.0033003 k( 73) = ( 0.3055556 0.5292378 -0.0000000), wk = 0.0033003 k( 74) = ( 0.2986111 0.5172096 -0.0000000), wk = 0.0033003 k( 75) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0033003 k( 76) = ( 0.2847222 0.4931534 -0.0000000), wk = 0.0033003 k( 77) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0033003 k( 78) = ( 0.2708333 0.4690971 -0.0000000), wk = 0.0033003 k( 79) = ( 0.2638889 0.4570690 -0.0000000), wk = 0.0033003 k( 80) = ( 0.2569444 0.4450408 -0.0000000), wk = 0.0033003 k( 81) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0033003 k( 82) = ( 0.2430556 0.4209846 -0.0000000), wk = 0.0033003 k( 83) = ( 0.2361111 0.4089564 -0.0000000), wk = 0.0033003 k( 84) = ( 0.2291667 0.3969283 -0.0000000), wk = 0.0033003 k( 85) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0033003 k( 86) = ( 0.2152778 0.3728721 -0.0000000), wk = 0.0033003 k( 87) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0033003 k( 88) = ( 0.2013889 0.3488158 -0.0000000), wk = 0.0033003 k( 89) = ( 0.1944444 0.3367876 -0.0000000), wk = 0.0033003 k( 90) = ( 0.1875000 0.3247595 -0.0000000), wk = 0.0033003 k( 91) = ( 0.1805556 0.3127314 -0.0000000), wk = 0.0033003 k( 92) = ( 0.1736111 0.3007033 -0.0000000), wk = 0.0033003 k( 93) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0033003 k( 94) = ( 0.1597222 0.2766470 -0.0000000), wk = 0.0033003 k( 95) = ( 0.1527778 0.2646189 -0.0000000), wk = 0.0033003 k( 96) = ( 0.1458333 0.2525907 -0.0000000), wk = 0.0033003 k( 97) = ( 0.1388889 0.2405626 -0.0000000), wk = 0.0033003 k( 98) = ( 0.1319444 0.2285345 -0.0000000), wk = 0.0033003 k( 99) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0033003 k( 100) = ( 0.1180556 0.2044782 -0.0000000), wk = 0.0033003 k( 101) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0033003 k( 102) = ( 0.1041667 0.1804220 -0.0000000), wk = 0.0033003 k( 103) = ( 0.0972222 0.1683938 -0.0000000), wk = 0.0033003 k( 104) = ( 0.0902778 0.1563657 -0.0000000), wk = 0.0033003 k( 105) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0033003 k( 106) = ( 0.0763889 0.1323094 -0.0000000), wk = 0.0033003 k( 107) = ( 0.0694444 0.1202813 -0.0000000), wk = 0.0033003 k( 108) = ( 0.0625000 0.1082532 -0.0000000), wk = 0.0033003 k( 109) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0033003 k( 110) = ( 0.0486111 0.0841969 -0.0000000), wk = 0.0033003 k( 111) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0033003 k( 112) = ( 0.0347222 0.0601406 -0.0000000), wk = 0.0033003 k( 113) = ( 0.0277778 0.0481125 -0.0000000), wk = 0.0033003 k( 114) = ( 0.0208333 0.0360844 -0.0000000), wk = 0.0033003 k( 115) = ( 0.0138889 0.0240563 -0.0000000), wk = 0.0033003 k( 116) = ( 0.0069444 0.0120281 -0.0000000), wk = 0.0033003 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 119) = ( 0.0000000 0.0000000 0.0135259), wk = 0.0033003 k( 120) = ( 0.0000000 0.0000000 0.0270519), wk = 0.0033003 k( 121) = ( 0.0000000 0.0000000 0.0405778), wk = 0.0033003 k( 122) = ( 0.0000000 0.0000000 0.0541038), wk = 0.0033003 k( 123) = ( 0.0000000 0.0000000 0.0676297), wk = 0.0033003 k( 124) = ( 0.0000000 0.0000000 0.0811557), wk = 0.0033003 k( 125) = ( 0.0000000 0.0000000 0.0946816), wk = 0.0033003 k( 126) = ( 0.0000000 0.0000000 0.1082076), wk = 0.0033003 k( 127) = ( 0.0000000 0.0000000 0.1217335), wk = 0.0033003 k( 128) = ( 0.0000000 0.0000000 0.1352595), wk = 0.0033003 k( 129) = ( 0.0000000 0.0000000 0.1487854), wk = 0.0033003 k( 130) = ( 0.0000000 0.0000000 0.1623114), wk = 0.0033003 k( 131) = ( 0.0000000 0.0000000 0.1758373), wk = 0.0033003 k( 132) = ( 0.0000000 0.0000000 0.1893633), wk = 0.0033003 k( 133) = ( 0.0000000 0.0000000 0.2028892), wk = 0.0033003 k( 134) = ( 0.0000000 0.0000000 0.2164152), wk = 0.0033003 k( 135) = ( 0.0000000 0.0000000 0.2299411), wk = 0.0033003 k( 136) = ( 0.0000000 0.0000000 0.2434671), wk = 0.0033003 k( 137) = ( 0.0000000 0.0000000 0.2569930), wk = 0.0033003 k( 138) = ( 0.0000000 0.0000000 0.2705190), wk = 0.0033003 k( 139) = ( 0.0000000 0.0000000 0.2840449), wk = 0.0033003 k( 140) = ( 0.0000000 0.0000000 0.2975709), wk = 0.0033003 k( 141) = ( 0.0000000 0.0000000 0.2975709), wk = 0.0033003 k( 142) = ( 0.0119048 0.0068732 0.2975709), wk = 0.0033003 k( 143) = ( 0.0238095 0.0137464 0.2975709), wk = 0.0033003 k( 144) = ( 0.0357143 0.0206197 0.2975709), wk = 0.0033003 k( 145) = ( 0.0476191 0.0274929 0.2975709), wk = 0.0033003 k( 146) = ( 0.0595238 0.0343661 0.2975709), wk = 0.0033003 k( 147) = ( 0.0714286 0.0412393 0.2975709), wk = 0.0033003 k( 148) = ( 0.0833333 0.0481125 0.2975709), wk = 0.0033003 k( 149) = ( 0.0952381 0.0549857 0.2975709), wk = 0.0033003 k( 150) = ( 0.1071429 0.0618590 0.2975709), wk = 0.0033003 k( 151) = ( 0.1190476 0.0687322 0.2975709), wk = 0.0033003 k( 152) = ( 0.1309524 0.0756054 0.2975709), wk = 0.0033003 k( 153) = ( 0.1428571 0.0824786 0.2975709), wk = 0.0033003 k( 154) = ( 0.1547619 0.0893518 0.2975709), wk = 0.0033003 k( 155) = ( 0.1666667 0.0962250 0.2975709), wk = 0.0033003 k( 156) = ( 0.1785714 0.1030983 0.2975709), wk = 0.0033003 k( 157) = ( 0.1904762 0.1099715 0.2975709), wk = 0.0033003 k( 158) = ( 0.2023810 0.1168447 0.2975709), wk = 0.0033003 k( 159) = ( 0.2142857 0.1237179 0.2975709), wk = 0.0033003 k( 160) = ( 0.2261905 0.1305911 0.2975709), wk = 0.0033003 k( 161) = ( 0.2380952 0.1374644 0.2975709), wk = 0.0033003 k( 162) = ( 0.2500000 0.1443376 0.2975709), wk = 0.0033003 k( 163) = ( 0.2619048 0.1512108 0.2975709), wk = 0.0033003 k( 164) = ( 0.2738095 0.1580840 0.2975709), wk = 0.0033003 k( 165) = ( 0.2857143 0.1649572 0.2975709), wk = 0.0033003 k( 166) = ( 0.2976190 0.1718304 0.2975709), wk = 0.0033003 k( 167) = ( 0.3095238 0.1787037 0.2975709), wk = 0.0033003 k( 168) = ( 0.3214286 0.1855769 0.2975709), wk = 0.0033003 k( 169) = ( 0.3333333 0.1924501 0.2975709), wk = 0.0033003 k( 170) = ( 0.3452381 0.1993233 0.2975709), wk = 0.0033003 k( 171) = ( 0.3571429 0.2061965 0.2975709), wk = 0.0033003 k( 172) = ( 0.3690476 0.2130697 0.2975709), wk = 0.0033003 k( 173) = ( 0.3809524 0.2199430 0.2975709), wk = 0.0033003 k( 174) = ( 0.3928571 0.2268162 0.2975709), wk = 0.0033003 k( 175) = ( 0.4047619 0.2336894 0.2975709), wk = 0.0033003 k( 176) = ( 0.4166667 0.2405626 0.2975709), wk = 0.0033003 k( 177) = ( 0.4285714 0.2474358 0.2975709), wk = 0.0033003 k( 178) = ( 0.4404762 0.2543090 0.2975709), wk = 0.0033003 k( 179) = ( 0.4523810 0.2611823 0.2975709), wk = 0.0033003 k( 180) = ( 0.4642857 0.2680555 0.2975709), wk = 0.0033003 k( 181) = ( 0.4761905 0.2749287 0.2975709), wk = 0.0033003 k( 182) = ( 0.4880952 0.2818019 0.2975709), wk = 0.0033003 k( 183) = ( 0.5000000 0.2886751 0.2975709), wk = 0.0033003 k( 184) = ( 0.5000000 0.2886751 0.2975709), wk = 0.0033003 k( 185) = ( 0.4930556 0.3007033 0.2975709), wk = 0.0033003 k( 186) = ( 0.4861111 0.3127314 0.2975709), wk = 0.0033003 k( 187) = ( 0.4791667 0.3247595 0.2975709), wk = 0.0033003 k( 188) = ( 0.4722222 0.3367877 0.2975709), wk = 0.0033003 k( 189) = ( 0.4652778 0.3488158 0.2975709), wk = 0.0033003 k( 190) = ( 0.4583333 0.3608439 0.2975709), wk = 0.0033003 k( 191) = ( 0.4513889 0.3728720 0.2975709), wk = 0.0033003 k( 192) = ( 0.4444444 0.3849002 0.2975709), wk = 0.0033003 k( 193) = ( 0.4375000 0.3969283 0.2975709), wk = 0.0033003 k( 194) = ( 0.4305556 0.4089564 0.2975709), wk = 0.0033003 k( 195) = ( 0.4236111 0.4209846 0.2975709), wk = 0.0033003 k( 196) = ( 0.4166667 0.4330127 0.2975709), wk = 0.0033003 k( 197) = ( 0.4097222 0.4450408 0.2975709), wk = 0.0033003 k( 198) = ( 0.4027778 0.4570690 0.2975709), wk = 0.0033003 k( 199) = ( 0.3958333 0.4690971 0.2975709), wk = 0.0033003 k( 200) = ( 0.3888889 0.4811252 0.2975709), wk = 0.0033003 k( 201) = ( 0.3819444 0.4931534 0.2975709), wk = 0.0033003 k( 202) = ( 0.3750000 0.5051815 0.2975709), wk = 0.0033003 k( 203) = ( 0.3680556 0.5172096 0.2975709), wk = 0.0033003 k( 204) = ( 0.3611111 0.5292377 0.2975709), wk = 0.0033003 k( 205) = ( 0.3541667 0.5412659 0.2975709), wk = 0.0033003 k( 206) = ( 0.3472222 0.5532940 0.2975709), wk = 0.0033003 k( 207) = ( 0.3402778 0.5653221 0.2975709), wk = 0.0033003 k( 208) = ( 0.3333333 0.5773503 0.2975709), wk = 0.0033003 k( 209) = ( 0.3333333 0.5773503 0.2975709), wk = 0.0033003 k( 210) = ( 0.3263889 0.5653221 0.2975709), wk = 0.0033003 k( 211) = ( 0.3194444 0.5532940 0.2975709), wk = 0.0033003 k( 212) = ( 0.3125000 0.5412659 0.2975709), wk = 0.0033003 k( 213) = ( 0.3055556 0.5292378 0.2975709), wk = 0.0033003 k( 214) = ( 0.2986111 0.5172096 0.2975709), wk = 0.0033003 k( 215) = ( 0.2916667 0.5051815 0.2975709), wk = 0.0033003 k( 216) = ( 0.2847222 0.4931534 0.2975709), wk = 0.0033003 k( 217) = ( 0.2777778 0.4811252 0.2975709), wk = 0.0033003 k( 218) = ( 0.2708333 0.4690971 0.2975709), wk = 0.0033003 k( 219) = ( 0.2638889 0.4570690 0.2975709), wk = 0.0033003 k( 220) = ( 0.2569444 0.4450408 0.2975709), wk = 0.0033003 k( 221) = ( 0.2500000 0.4330127 0.2975709), wk = 0.0033003 k( 222) = ( 0.2430556 0.4209846 0.2975709), wk = 0.0033003 k( 223) = ( 0.2361111 0.4089564 0.2975709), wk = 0.0033003 k( 224) = ( 0.2291667 0.3969283 0.2975709), wk = 0.0033003 k( 225) = ( 0.2222222 0.3849002 0.2975709), wk = 0.0033003 k( 226) = ( 0.2152778 0.3728721 0.2975709), wk = 0.0033003 k( 227) = ( 0.2083333 0.3608439 0.2975709), wk = 0.0033003 k( 228) = ( 0.2013889 0.3488158 0.2975709), wk = 0.0033003 k( 229) = ( 0.1944444 0.3367876 0.2975709), wk = 0.0033003 k( 230) = ( 0.1875000 0.3247595 0.2975709), wk = 0.0033003 k( 231) = ( 0.1805556 0.3127314 0.2975709), wk = 0.0033003 k( 232) = ( 0.1736111 0.3007033 0.2975709), wk = 0.0033003 k( 233) = ( 0.1666667 0.2886751 0.2975709), wk = 0.0033003 k( 234) = ( 0.1597222 0.2766470 0.2975709), wk = 0.0033003 k( 235) = ( 0.1527778 0.2646189 0.2975709), wk = 0.0033003 k( 236) = ( 0.1458333 0.2525907 0.2975709), wk = 0.0033003 k( 237) = ( 0.1388889 0.2405626 0.2975709), wk = 0.0033003 k( 238) = ( 0.1319444 0.2285345 0.2975709), wk = 0.0033003 k( 239) = ( 0.1250000 0.2165064 0.2975709), wk = 0.0033003 k( 240) = ( 0.1180556 0.2044782 0.2975709), wk = 0.0033003 k( 241) = ( 0.1111111 0.1924501 0.2975709), wk = 0.0033003 k( 242) = ( 0.1041667 0.1804220 0.2975709), wk = 0.0033003 k( 243) = ( 0.0972222 0.1683938 0.2975709), wk = 0.0033003 k( 244) = ( 0.0902778 0.1563657 0.2975709), wk = 0.0033003 k( 245) = ( 0.0833333 0.1443376 0.2975709), wk = 0.0033003 k( 246) = ( 0.0763889 0.1323094 0.2975709), wk = 0.0033003 k( 247) = ( 0.0694444 0.1202813 0.2975709), wk = 0.0033003 k( 248) = ( 0.0625000 0.1082532 0.2975709), wk = 0.0033003 k( 249) = ( 0.0555556 0.0962251 0.2975709), wk = 0.0033003 k( 250) = ( 0.0486111 0.0841969 0.2975709), wk = 0.0033003 k( 251) = ( 0.0416667 0.0721688 0.2975709), wk = 0.0033003 k( 252) = ( 0.0347222 0.0601406 0.2975709), wk = 0.0033003 k( 253) = ( 0.0277778 0.0481125 0.2975709), wk = 0.0033003 k( 254) = ( 0.0208333 0.0360844 0.2975709), wk = 0.0033003 k( 255) = ( 0.0138889 0.0240563 0.2975709), wk = 0.0033003 k( 256) = ( 0.0069444 0.0120281 0.2975709), wk = 0.0033003 k( 257) = ( 0.0000000 0.0000000 0.2975709), wk = 0.0033003 k( 258) = ( 0.5000000 0.2886751 0.2975709), wk = 0.0033003 k( 259) = ( 0.5000000 0.2886751 0.2840449), wk = 0.0033003 k( 260) = ( 0.5000000 0.2886751 0.2705190), wk = 0.0033003 k( 261) = ( 0.5000000 0.2886751 0.2569930), wk = 0.0033003 k( 262) = ( 0.5000000 0.2886751 0.2434671), wk = 0.0033003 k( 263) = ( 0.5000000 0.2886751 0.2299411), wk = 0.0033003 k( 264) = ( 0.5000000 0.2886751 0.2164152), wk = 0.0033003 k( 265) = ( 0.5000000 0.2886751 0.2028892), wk = 0.0033003 k( 266) = ( 0.5000000 0.2886751 0.1893633), wk = 0.0033003 k( 267) = ( 0.5000000 0.2886751 0.1758373), wk = 0.0033003 k( 268) = ( 0.5000000 0.2886751 0.1623114), wk = 0.0033003 k( 269) = ( 0.5000000 0.2886751 0.1487854), wk = 0.0033003 k( 270) = ( 0.5000000 0.2886751 0.1352595), wk = 0.0033003 k( 271) = ( 0.5000000 0.2886751 0.1217335), wk = 0.0033003 k( 272) = ( 0.5000000 0.2886751 0.1082076), wk = 0.0033003 k( 273) = ( 0.5000000 0.2886751 0.0946816), wk = 0.0033003 k( 274) = ( 0.5000000 0.2886751 0.0811557), wk = 0.0033003 k( 275) = ( 0.5000000 0.2886751 0.0676297), wk = 0.0033003 k( 276) = ( 0.5000000 0.2886751 0.0541038), wk = 0.0033003 k( 277) = ( 0.5000000 0.2886751 0.0405778), wk = 0.0033003 k( 278) = ( 0.5000000 0.2886751 0.0270519), wk = 0.0033003 k( 279) = ( 0.5000000 0.2886751 0.0135259), wk = 0.0033003 k( 280) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033003 k( 281) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033003 k( 282) = ( 0.3333333 0.5773503 0.0135259), wk = 0.0033003 k( 283) = ( 0.3333333 0.5773503 0.0270519), wk = 0.0033003 k( 284) = ( 0.3333333 0.5773503 0.0405778), wk = 0.0033003 k( 285) = ( 0.3333333 0.5773503 0.0541038), wk = 0.0033003 k( 286) = ( 0.3333333 0.5773503 0.0676297), wk = 0.0033003 k( 287) = ( 0.3333333 0.5773503 0.0811557), wk = 0.0033003 k( 288) = ( 0.3333333 0.5773503 0.0946816), wk = 0.0033003 k( 289) = ( 0.3333333 0.5773503 0.1082076), wk = 0.0033003 k( 290) = ( 0.3333333 0.5773503 0.1217335), wk = 0.0033003 k( 291) = ( 0.3333333 0.5773503 0.1352595), wk = 0.0033003 k( 292) = ( 0.3333333 0.5773503 0.1487854), wk = 0.0033003 k( 293) = ( 0.3333333 0.5773503 0.1623114), wk = 0.0033003 k( 294) = ( 0.3333333 0.5773503 0.1758373), wk = 0.0033003 k( 295) = ( 0.3333333 0.5773503 0.1893633), wk = 0.0033003 k( 296) = ( 0.3333333 0.5773503 0.2028892), wk = 0.0033003 k( 297) = ( 0.3333333 0.5773503 0.2164152), wk = 0.0033003 k( 298) = ( 0.3333333 0.5773503 0.2299411), wk = 0.0033003 k( 299) = ( 0.3333333 0.5773503 0.2434671), wk = 0.0033003 k( 300) = ( 0.3333333 0.5773503 0.2569930), wk = 0.0033003 k( 301) = ( 0.3333333 0.5773503 0.2705190), wk = 0.0033003 k( 302) = ( 0.3333333 0.5773503 0.2840449), wk = 0.0033003 k( 303) = ( 0.3333333 0.5773503 0.2975709), wk = 0.0033003 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 2) = ( 0.0119048 -0.0000000 -0.0000000), wk = 0.0033003 k( 3) = ( 0.0238095 -0.0000000 -0.0000000), wk = 0.0033003 k( 4) = ( 0.0357143 -0.0000000 -0.0000000), wk = 0.0033003 k( 5) = ( 0.0476191 -0.0000000 -0.0000000), wk = 0.0033003 k( 6) = ( 0.0595238 -0.0000000 -0.0000000), wk = 0.0033003 k( 7) = ( 0.0714286 -0.0000000 -0.0000000), wk = 0.0033003 k( 8) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0033003 k( 9) = ( 0.0952381 -0.0000000 -0.0000000), wk = 0.0033003 k( 10) = ( 0.1071429 -0.0000000 -0.0000000), wk = 0.0033003 k( 11) = ( 0.1190476 -0.0000000 -0.0000000), wk = 0.0033003 k( 12) = ( 0.1309524 -0.0000000 -0.0000000), wk = 0.0033003 k( 13) = ( 0.1428571 -0.0000000 -0.0000000), wk = 0.0033003 k( 14) = ( 0.1547619 -0.0000000 -0.0000000), wk = 0.0033003 k( 15) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0033003 k( 16) = ( 0.1785714 -0.0000000 -0.0000000), wk = 0.0033003 k( 17) = ( 0.1904762 -0.0000000 -0.0000000), wk = 0.0033003 k( 18) = ( 0.2023810 -0.0000000 -0.0000000), wk = 0.0033003 k( 19) = ( 0.2142857 -0.0000000 -0.0000000), wk = 0.0033003 k( 20) = ( 0.2261905 -0.0000000 -0.0000000), wk = 0.0033003 k( 21) = ( 0.2380952 -0.0000000 -0.0000000), wk = 0.0033003 k( 22) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0033003 k( 23) = ( 0.2619048 -0.0000000 -0.0000000), wk = 0.0033003 k( 24) = ( 0.2738095 -0.0000000 -0.0000000), wk = 0.0033003 k( 25) = ( 0.2857143 -0.0000000 -0.0000000), wk = 0.0033003 k( 26) = ( 0.2976190 -0.0000000 -0.0000000), wk = 0.0033003 k( 27) = ( 0.3095238 -0.0000000 -0.0000000), wk = 0.0033003 k( 28) = ( 0.3214286 -0.0000000 -0.0000000), wk = 0.0033003 k( 29) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0033003 k( 30) = ( 0.3452381 -0.0000000 -0.0000000), wk = 0.0033003 k( 31) = ( 0.3571429 -0.0000000 -0.0000000), wk = 0.0033003 k( 32) = ( 0.3690476 0.0000000 -0.0000000), wk = 0.0033003 k( 33) = ( 0.3809524 -0.0000000 -0.0000000), wk = 0.0033003 k( 34) = ( 0.3928571 -0.0000000 -0.0000000), wk = 0.0033003 k( 35) = ( 0.4047619 -0.0000000 -0.0000000), wk = 0.0033003 k( 36) = ( 0.4166667 -0.0000000 -0.0000000), wk = 0.0033003 k( 37) = ( 0.4285714 -0.0000000 -0.0000000), wk = 0.0033003 k( 38) = ( 0.4404762 -0.0000000 -0.0000000), wk = 0.0033003 k( 39) = ( 0.4523810 -0.0000000 -0.0000000), wk = 0.0033003 k( 40) = ( 0.4642857 -0.0000000 -0.0000000), wk = 0.0033003 k( 41) = ( 0.4761905 -0.0000000 -0.0000000), wk = 0.0033003 k( 42) = ( 0.4880952 -0.0000000 -0.0000000), wk = 0.0033003 k( 43) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0033003 k( 44) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0033003 k( 45) = ( 0.4930556 0.0138889 -0.0000000), wk = 0.0033003 k( 46) = ( 0.4861111 0.0277778 0.0000000), wk = 0.0033003 k( 47) = ( 0.4791667 0.0416667 -0.0000000), wk = 0.0033003 k( 48) = ( 0.4722222 0.0555556 -0.0000000), wk = 0.0033003 k( 49) = ( 0.4652778 0.0694444 -0.0000000), wk = 0.0033003 k( 50) = ( 0.4583333 0.0833333 -0.0000000), wk = 0.0033003 k( 51) = ( 0.4513889 0.0972222 -0.0000000), wk = 0.0033003 k( 52) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0033003 k( 53) = ( 0.4375000 0.1250000 -0.0000000), wk = 0.0033003 k( 54) = ( 0.4305556 0.1388889 -0.0000000), wk = 0.0033003 k( 55) = ( 0.4236111 0.1527778 -0.0000000), wk = 0.0033003 k( 56) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0033003 k( 57) = ( 0.4097222 0.1805556 -0.0000000), wk = 0.0033003 k( 58) = ( 0.4027778 0.1944444 -0.0000000), wk = 0.0033003 k( 59) = ( 0.3958333 0.2083333 -0.0000000), wk = 0.0033003 k( 60) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0033003 k( 61) = ( 0.3819444 0.2361111 -0.0000000), wk = 0.0033003 k( 62) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0033003 k( 63) = ( 0.3680556 0.2638889 -0.0000000), wk = 0.0033003 k( 64) = ( 0.3611111 0.2777778 -0.0000000), wk = 0.0033003 k( 65) = ( 0.3541667 0.2916667 -0.0000000), wk = 0.0033003 k( 66) = ( 0.3472222 0.3055556 -0.0000000), wk = 0.0033003 k( 67) = ( 0.3402778 0.3194444 -0.0000000), wk = 0.0033003 k( 68) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033003 k( 69) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033003 k( 70) = ( 0.3263889 0.3263889 -0.0000000), wk = 0.0033003 k( 71) = ( 0.3194444 0.3194444 -0.0000000), wk = 0.0033003 k( 72) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0033003 k( 73) = ( 0.3055556 0.3055556 -0.0000000), wk = 0.0033003 k( 74) = ( 0.2986111 0.2986111 -0.0000000), wk = 0.0033003 k( 75) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0033003 k( 76) = ( 0.2847222 0.2847222 -0.0000000), wk = 0.0033003 k( 77) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0033003 k( 78) = ( 0.2708333 0.2708333 -0.0000000), wk = 0.0033003 k( 79) = ( 0.2638889 0.2638889 -0.0000000), wk = 0.0033003 k( 80) = ( 0.2569444 0.2569444 -0.0000000), wk = 0.0033003 k( 81) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0033003 k( 82) = ( 0.2430556 0.2430556 -0.0000000), wk = 0.0033003 k( 83) = ( 0.2361111 0.2361111 -0.0000000), wk = 0.0033003 k( 84) = ( 0.2291667 0.2291667 -0.0000000), wk = 0.0033003 k( 85) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0033003 k( 86) = ( 0.2152778 0.2152778 0.0000000), wk = 0.0033003 k( 87) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0033003 k( 88) = ( 0.2013889 0.2013889 -0.0000000), wk = 0.0033003 k( 89) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0033003 k( 90) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0033003 k( 91) = ( 0.1805556 0.1805556 -0.0000000), wk = 0.0033003 k( 92) = ( 0.1736111 0.1736111 -0.0000000), wk = 0.0033003 k( 93) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0033003 k( 94) = ( 0.1597222 0.1597222 -0.0000000), wk = 0.0033003 k( 95) = ( 0.1527778 0.1527778 -0.0000000), wk = 0.0033003 k( 96) = ( 0.1458333 0.1458333 -0.0000000), wk = 0.0033003 k( 97) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0033003 k( 98) = ( 0.1319444 0.1319444 -0.0000000), wk = 0.0033003 k( 99) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0033003 k( 100) = ( 0.1180556 0.1180556 -0.0000000), wk = 0.0033003 k( 101) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0033003 k( 102) = ( 0.1041667 0.1041667 -0.0000000), wk = 0.0033003 k( 103) = ( 0.0972222 0.0972222 -0.0000000), wk = 0.0033003 k( 104) = ( 0.0902778 0.0902778 -0.0000000), wk = 0.0033003 k( 105) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0033003 k( 106) = ( 0.0763889 0.0763889 -0.0000000), wk = 0.0033003 k( 107) = ( 0.0694444 0.0694444 0.0000000), wk = 0.0033003 k( 108) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0033003 k( 109) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0033003 k( 110) = ( 0.0486111 0.0486111 -0.0000000), wk = 0.0033003 k( 111) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0033003 k( 112) = ( 0.0347222 0.0347222 0.0000000), wk = 0.0033003 k( 113) = ( 0.0277778 0.0277778 -0.0000000), wk = 0.0033003 k( 114) = ( 0.0208333 0.0208333 -0.0000000), wk = 0.0033003 k( 115) = ( 0.0138889 0.0138889 -0.0000000), wk = 0.0033003 k( 116) = ( 0.0069444 0.0069444 -0.0000000), wk = 0.0033003 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033003 k( 119) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0033003 k( 120) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0033003 k( 121) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0033003 k( 122) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0033003 k( 123) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0033003 k( 124) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0033003 k( 125) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0033003 k( 126) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0033003 k( 127) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0033003 k( 128) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0033003 k( 129) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0033003 k( 130) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0033003 k( 131) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0033003 k( 132) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0033003 k( 133) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0033003 k( 134) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0033003 k( 135) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0033003 k( 136) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0033003 k( 137) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0033003 k( 138) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0033003 k( 139) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0033003 k( 140) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033003 k( 141) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033003 k( 142) = ( 0.0119048 -0.0000000 0.5000000), wk = 0.0033003 k( 143) = ( 0.0238095 -0.0000000 0.5000000), wk = 0.0033003 k( 144) = ( 0.0357143 -0.0000000 0.5000000), wk = 0.0033003 k( 145) = ( 0.0476191 -0.0000000 0.5000000), wk = 0.0033003 k( 146) = ( 0.0595238 -0.0000000 0.5000000), wk = 0.0033003 k( 147) = ( 0.0714286 -0.0000000 0.5000000), wk = 0.0033003 k( 148) = ( 0.0833333 -0.0000000 0.5000000), wk = 0.0033003 k( 149) = ( 0.0952381 -0.0000000 0.5000000), wk = 0.0033003 k( 150) = ( 0.1071429 -0.0000000 0.5000000), wk = 0.0033003 k( 151) = ( 0.1190476 -0.0000000 0.5000000), wk = 0.0033003 k( 152) = ( 0.1309524 -0.0000000 0.5000000), wk = 0.0033003 k( 153) = ( 0.1428571 -0.0000000 0.5000000), wk = 0.0033003 k( 154) = ( 0.1547619 -0.0000000 0.5000000), wk = 0.0033003 k( 155) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0033003 k( 156) = ( 0.1785714 -0.0000000 0.5000000), wk = 0.0033003 k( 157) = ( 0.1904762 -0.0000000 0.5000000), wk = 0.0033003 k( 158) = ( 0.2023810 -0.0000000 0.5000000), wk = 0.0033003 k( 159) = ( 0.2142857 -0.0000000 0.5000000), wk = 0.0033003 k( 160) = ( 0.2261905 -0.0000000 0.5000000), wk = 0.0033003 k( 161) = ( 0.2380952 -0.0000000 0.5000000), wk = 0.0033003 k( 162) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0033003 k( 163) = ( 0.2619048 -0.0000000 0.5000000), wk = 0.0033003 k( 164) = ( 0.2738095 -0.0000000 0.5000000), wk = 0.0033003 k( 165) = ( 0.2857143 -0.0000000 0.5000000), wk = 0.0033003 k( 166) = ( 0.2976190 -0.0000000 0.5000000), wk = 0.0033003 k( 167) = ( 0.3095238 -0.0000000 0.5000000), wk = 0.0033003 k( 168) = ( 0.3214286 -0.0000000 0.5000000), wk = 0.0033003 k( 169) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0033003 k( 170) = ( 0.3452381 -0.0000000 0.5000000), wk = 0.0033003 k( 171) = ( 0.3571429 -0.0000000 0.5000000), wk = 0.0033003 k( 172) = ( 0.3690476 0.0000000 0.5000000), wk = 0.0033003 k( 173) = ( 0.3809524 -0.0000000 0.5000000), wk = 0.0033003 k( 174) = ( 0.3928571 -0.0000000 0.5000000), wk = 0.0033003 k( 175) = ( 0.4047619 -0.0000000 0.5000000), wk = 0.0033003 k( 176) = ( 0.4166667 -0.0000000 0.5000000), wk = 0.0033003 k( 177) = ( 0.4285714 -0.0000000 0.5000000), wk = 0.0033003 k( 178) = ( 0.4404762 -0.0000000 0.5000000), wk = 0.0033003 k( 179) = ( 0.4523810 -0.0000000 0.5000000), wk = 0.0033003 k( 180) = ( 0.4642857 -0.0000000 0.5000000), wk = 0.0033003 k( 181) = ( 0.4761905 -0.0000000 0.5000000), wk = 0.0033003 k( 182) = ( 0.4880952 -0.0000000 0.5000000), wk = 0.0033003 k( 183) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0033003 k( 184) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0033003 k( 185) = ( 0.4930556 0.0138889 0.5000000), wk = 0.0033003 k( 186) = ( 0.4861111 0.0277778 0.5000000), wk = 0.0033003 k( 187) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0033003 k( 188) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0033003 k( 189) = ( 0.4652778 0.0694444 0.5000000), wk = 0.0033003 k( 190) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0033003 k( 191) = ( 0.4513889 0.0972222 0.5000000), wk = 0.0033003 k( 192) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0033003 k( 193) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0033003 k( 194) = ( 0.4305556 0.1388889 0.5000000), wk = 0.0033003 k( 195) = ( 0.4236111 0.1527778 0.5000000), wk = 0.0033003 k( 196) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0033003 k( 197) = ( 0.4097222 0.1805556 0.5000000), wk = 0.0033003 k( 198) = ( 0.4027778 0.1944444 0.5000000), wk = 0.0033003 k( 199) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0033003 k( 200) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0033003 k( 201) = ( 0.3819444 0.2361111 0.5000000), wk = 0.0033003 k( 202) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0033003 k( 203) = ( 0.3680556 0.2638889 0.5000000), wk = 0.0033003 k( 204) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0033003 k( 205) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0033003 k( 206) = ( 0.3472222 0.3055556 0.5000000), wk = 0.0033003 k( 207) = ( 0.3402778 0.3194444 0.5000000), wk = 0.0033003 k( 208) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033003 k( 209) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033003 k( 210) = ( 0.3263889 0.3263889 0.5000000), wk = 0.0033003 k( 211) = ( 0.3194444 0.3194444 0.5000000), wk = 0.0033003 k( 212) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0033003 k( 213) = ( 0.3055556 0.3055556 0.5000000), wk = 0.0033003 k( 214) = ( 0.2986111 0.2986111 0.5000000), wk = 0.0033003 k( 215) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0033003 k( 216) = ( 0.2847222 0.2847222 0.5000000), wk = 0.0033003 k( 217) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0033003 k( 218) = ( 0.2708333 0.2708333 0.5000000), wk = 0.0033003 k( 219) = ( 0.2638889 0.2638889 0.5000000), wk = 0.0033003 k( 220) = ( 0.2569444 0.2569444 0.5000000), wk = 0.0033003 k( 221) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0033003 k( 222) = ( 0.2430556 0.2430556 0.5000000), wk = 0.0033003 k( 223) = ( 0.2361111 0.2361111 0.5000000), wk = 0.0033003 k( 224) = ( 0.2291667 0.2291667 0.5000000), wk = 0.0033003 k( 225) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0033003 k( 226) = ( 0.2152778 0.2152778 0.5000000), wk = 0.0033003 k( 227) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0033003 k( 228) = ( 0.2013889 0.2013889 0.5000000), wk = 0.0033003 k( 229) = ( 0.1944444 0.1944444 0.5000000), wk = 0.0033003 k( 230) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0033003 k( 231) = ( 0.1805556 0.1805556 0.5000000), wk = 0.0033003 k( 232) = ( 0.1736111 0.1736111 0.5000000), wk = 0.0033003 k( 233) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0033003 k( 234) = ( 0.1597222 0.1597222 0.5000000), wk = 0.0033003 k( 235) = ( 0.1527778 0.1527778 0.5000000), wk = 0.0033003 k( 236) = ( 0.1458333 0.1458333 0.5000000), wk = 0.0033003 k( 237) = ( 0.1388889 0.1388889 0.5000000), wk = 0.0033003 k( 238) = ( 0.1319444 0.1319444 0.5000000), wk = 0.0033003 k( 239) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0033003 k( 240) = ( 0.1180556 0.1180556 0.5000000), wk = 0.0033003 k( 241) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0033003 k( 242) = ( 0.1041667 0.1041667 0.5000000), wk = 0.0033003 k( 243) = ( 0.0972222 0.0972222 0.5000000), wk = 0.0033003 k( 244) = ( 0.0902778 0.0902778 0.5000000), wk = 0.0033003 k( 245) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0033003 k( 246) = ( 0.0763889 0.0763889 0.5000000), wk = 0.0033003 k( 247) = ( 0.0694444 0.0694444 0.5000000), wk = 0.0033003 k( 248) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0033003 k( 249) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0033003 k( 250) = ( 0.0486111 0.0486111 0.5000000), wk = 0.0033003 k( 251) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0033003 k( 252) = ( 0.0347222 0.0347222 0.5000000), wk = 0.0033003 k( 253) = ( 0.0277778 0.0277778 0.5000000), wk = 0.0033003 k( 254) = ( 0.0208333 0.0208333 0.5000000), wk = 0.0033003 k( 255) = ( 0.0138889 0.0138889 0.5000000), wk = 0.0033003 k( 256) = ( 0.0069444 0.0069444 0.5000000), wk = 0.0033003 k( 257) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033003 k( 258) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0033003 k( 259) = ( 0.5000000 -0.0000000 0.4772727), wk = 0.0033003 k( 260) = ( 0.5000000 -0.0000000 0.4545455), wk = 0.0033003 k( 261) = ( 0.5000000 -0.0000000 0.4318182), wk = 0.0033003 k( 262) = ( 0.5000000 -0.0000000 0.4090909), wk = 0.0033003 k( 263) = ( 0.5000000 -0.0000000 0.3863636), wk = 0.0033003 k( 264) = ( 0.5000000 -0.0000000 0.3636364), wk = 0.0033003 k( 265) = ( 0.5000000 -0.0000000 0.3409091), wk = 0.0033003 k( 266) = ( 0.5000000 -0.0000000 0.3181818), wk = 0.0033003 k( 267) = ( 0.5000000 -0.0000000 0.2954546), wk = 0.0033003 k( 268) = ( 0.5000000 -0.0000000 0.2727273), wk = 0.0033003 k( 269) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0033003 k( 270) = ( 0.5000000 -0.0000000 0.2272727), wk = 0.0033003 k( 271) = ( 0.5000000 -0.0000000 0.2045455), wk = 0.0033003 k( 272) = ( 0.5000000 -0.0000000 0.1818182), wk = 0.0033003 k( 273) = ( 0.5000000 -0.0000000 0.1590909), wk = 0.0033003 k( 274) = ( 0.5000000 -0.0000000 0.1363636), wk = 0.0033003 k( 275) = ( 0.5000000 -0.0000000 0.1136364), wk = 0.0033003 k( 276) = ( 0.5000000 -0.0000000 0.0909091), wk = 0.0033003 k( 277) = ( 0.5000000 -0.0000000 0.0681818), wk = 0.0033003 k( 278) = ( 0.5000000 -0.0000000 0.0454546), wk = 0.0033003 k( 279) = ( 0.5000000 -0.0000000 0.0227273), wk = 0.0033003 k( 280) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0033003 k( 281) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033003 k( 282) = ( 0.3333333 0.3333333 0.0227273), wk = 0.0033003 k( 283) = ( 0.3333333 0.3333333 0.0454546), wk = 0.0033003 k( 284) = ( 0.3333333 0.3333333 0.0681818), wk = 0.0033003 k( 285) = ( 0.3333333 0.3333333 0.0909091), wk = 0.0033003 k( 286) = ( 0.3333333 0.3333333 0.1136364), wk = 0.0033003 k( 287) = ( 0.3333333 0.3333333 0.1363636), wk = 0.0033003 k( 288) = ( 0.3333333 0.3333333 0.1590909), wk = 0.0033003 k( 289) = ( 0.3333333 0.3333333 0.1818182), wk = 0.0033003 k( 290) = ( 0.3333333 0.3333333 0.2045455), wk = 0.0033003 k( 291) = ( 0.3333333 0.3333333 0.2272727), wk = 0.0033003 k( 292) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0033003 k( 293) = ( 0.3333333 0.3333333 0.2727273), wk = 0.0033003 k( 294) = ( 0.3333333 0.3333333 0.2954545), wk = 0.0033003 k( 295) = ( 0.3333333 0.3333333 0.3181818), wk = 0.0033003 k( 296) = ( 0.3333333 0.3333333 0.3409091), wk = 0.0033003 k( 297) = ( 0.3333333 0.3333333 0.3636364), wk = 0.0033003 k( 298) = ( 0.3333333 0.3333333 0.3863636), wk = 0.0033003 k( 299) = ( 0.3333333 0.3333333 0.4090909), wk = 0.0033003 k( 300) = ( 0.3333333 0.3333333 0.4318182), wk = 0.0033003 k( 301) = ( 0.3333333 0.3333333 0.4545455), wk = 0.0033003 k( 302) = ( 0.3333333 0.3333333 0.4772727), wk = 0.0033003 k( 303) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033003 Dense grid: 107889 G-vectors FFT dimensions: ( 54, 54, 90) Smooth grid: 51627 G-vectors FFT dimensions: ( 45, 45, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.26 Mb ( 360, 48) NL pseudopotentials 0.25 Mb ( 180, 90) Each V/rho on FFT grid 0.13 Mb ( 8748) Each G-vector array 0.02 Mb ( 3001) G-vector shells 0.01 Mb ( 1441) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.05 Mb ( 360, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.13 Mb ( 90, 2, 48) Check: negative/imaginary core charge= -0.000008 0.000000 The potential is recalculated from file : ./SrxMgAsx2.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.6 secs Computing kpt #: 2 total cpu time spent up to now is 3.4 secs Computing kpt #: 3 total cpu time spent up to now is 4.1 secs Computing kpt #: 4 total cpu time spent up to now is 5.0 secs Computing kpt #: 5 total cpu time spent up to now is 5.7 secs Computing kpt #: 6 total cpu time spent up to now is 6.4 secs Computing kpt #: 7 total cpu time spent up to now is 6.9 secs Computing kpt #: 8 total cpu time spent up to now is 7.6 secs Computing kpt #: 9 total cpu time spent up to now is 8.3 secs Computing kpt #: 10 total cpu time spent up to now is 8.9 secs Computing kpt #: 11 total cpu time spent up to now is 9.5 secs Computing kpt #: 12 total cpu time spent up to now is 10.1 secs Computing kpt #: 13 total cpu time spent up to now is 10.8 secs Computing kpt #: 14 total cpu time spent up to now is 11.4 secs Computing kpt #: 15 total cpu time spent up to now is 11.9 secs Computing kpt #: 16 total cpu time spent up to now is 12.5 secs Computing kpt #: 17 total cpu time spent up to now is 13.0 secs Computing kpt #: 18 total cpu time spent up to now is 13.5 secs Computing kpt #: 19 total cpu time spent up to now is 14.0 secs Computing kpt #: 20 total cpu time spent up to now is 14.6 secs Computing kpt #: 21 total cpu time spent up to now is 15.1 secs Computing kpt #: 22 total cpu time spent up to now is 15.6 secs Computing kpt #: 23 total cpu time spent up to now is 16.2 secs Computing kpt #: 24 total cpu time spent up to now is 16.8 secs Computing kpt #: 25 total cpu time spent up to now is 17.3 secs Computing kpt #: 26 total cpu time spent up to now is 17.9 secs Computing kpt #: 27 total cpu time spent up to now is 18.3 secs Computing kpt #: 28 total cpu time spent up to now is 18.8 secs Computing kpt #: 29 total cpu time spent up to now is 19.2 secs Computing kpt #: 30 total cpu time spent up to now is 19.7 secs Computing kpt #: 31 total cpu time spent up to now is 20.1 secs Computing kpt #: 32 total cpu time spent up to now is 20.6 secs Computing kpt #: 33 total cpu time spent up to now is 21.0 secs Computing kpt #: 34 total cpu time spent up to now is 21.4 secs Computing kpt #: 35 total cpu time spent up to now is 21.9 secs Computing kpt #: 36 total cpu time spent up to now is 22.3 secs Computing kpt #: 37 total cpu time spent up to now is 22.8 secs Computing kpt #: 38 total cpu time spent up to now is 23.3 secs Computing kpt #: 39 total cpu time spent up to now is 23.7 secs Computing kpt #: 40 total cpu time spent up to now is 24.1 secs Computing kpt #: 41 total cpu time spent up to now is 24.6 secs Computing kpt #: 42 total cpu time spent up to now is 25.0 secs Computing kpt #: 43 total cpu time spent up to now is 25.5 secs Computing kpt #: 44 total cpu time spent up to now is 26.0 secs Computing kpt #: 45 total cpu time spent up to now is 26.5 secs Computing kpt #: 46 total cpu time spent up to now is 27.0 secs Computing kpt #: 47 total cpu time spent up to now is 27.5 secs Computing kpt #: 48 total cpu time spent up to now is 28.0 secs Computing kpt #: 49 total cpu time spent up to now is 28.4 secs Computing kpt #: 50 total cpu time spent up to now is 28.9 secs Computing kpt #: 51 total cpu time spent up to now is 29.3 secs Computing kpt #: 52 total cpu time spent up to now is 29.7 secs Computing kpt #: 53 total cpu time spent up to now is 30.2 secs Computing kpt #: 54 total cpu time spent up to now is 30.6 secs Computing kpt #: 55 total cpu time spent up to now is 31.0 secs Computing kpt #: 56 total cpu time spent up to now is 31.5 secs Computing kpt #: 57 total cpu time spent up to now is 31.9 secs Computing kpt #: 58 total cpu time spent up to now is 32.4 secs Computing kpt #: 59 total cpu time spent up to now is 32.8 secs Computing kpt #: 60 total cpu time spent up to now is 33.3 secs Computing kpt #: 61 total cpu time spent up to now is 33.7 secs Computing kpt #: 62 total cpu time spent up to now is 34.2 secs Computing kpt #: 63 total cpu time spent up to now is 34.6 secs Computing kpt #: 64 total cpu time spent up to now is 35.1 secs Computing kpt #: 65 total cpu time spent up to now is 35.5 secs Computing kpt #: 66 total cpu time spent up to now is 36.0 secs Computing kpt #: 67 total cpu time spent up to now is 36.4 secs Computing kpt #: 68 total cpu time spent up to now is 36.9 secs Computing kpt #: 69 total cpu time spent up to now is 37.4 secs Computing kpt #: 70 total cpu time spent up to now is 37.8 secs Computing kpt #: 71 total cpu time spent up to now is 38.3 secs Computing kpt #: 72 total cpu time spent up to now is 38.7 secs Computing kpt #: 73 total cpu time spent up to now is 39.1 secs Computing kpt #: 74 total cpu time spent up to now is 39.6 secs Computing kpt #: 75 total cpu time spent up to now is 40.0 secs Computing kpt #: 76 total cpu time spent up to now is 40.5 secs Computing kpt #: 77 total cpu time spent up to now is 40.9 secs Computing kpt #: 78 total cpu time spent up to now is 41.3 secs Computing kpt #: 79 total cpu time spent up to now is 41.8 secs Computing kpt #: 80 total cpu time spent up to now is 42.2 secs Computing kpt #: 81 total cpu time spent up to now is 42.6 secs Computing kpt #: 82 total cpu time spent up to now is 43.0 secs Computing kpt #: 83 total cpu time spent up to now is 43.4 secs Computing kpt #: 84 total cpu time spent up to now is 43.9 secs Computing kpt #: 85 total cpu time spent up to now is 44.3 secs Computing kpt #: 86 total cpu time spent up to now is 44.7 secs Computing kpt #: 87 total cpu time spent up to now is 45.1 secs Computing kpt #: 88 total cpu time spent up to now is 45.6 secs Computing kpt #: 89 total cpu time spent up to now is 46.0 secs Computing kpt #: 90 total cpu time spent up to now is 46.4 secs Computing kpt #: 91 total cpu time spent up to now is 46.9 secs Computing kpt #: 92 total cpu time spent up to now is 47.4 secs Computing kpt #: 93 total cpu time spent up to now is 47.9 secs Computing kpt #: 94 total cpu time spent up to now is 48.4 secs Computing kpt #: 95 total cpu time spent up to now is 48.9 secs Computing kpt #: 96 total cpu time spent up to now is 49.5 secs Computing kpt #: 97 total cpu time spent up to now is 50.0 secs Computing kpt #: 98 total cpu time spent up to now is 50.5 secs Computing kpt #: 99 total cpu time spent up to now is 51.1 secs Computing kpt #: 100 total cpu time spent up to now is 51.6 secs Computing kpt #: 101 total cpu time spent up to now is 52.2 secs Computing kpt #: 102 total cpu time spent up to now is 52.7 secs Computing kpt #: 103 total cpu time spent up to now is 53.2 secs Computing kpt #: 104 total cpu time spent up to now is 53.8 secs Computing kpt #: 105 total cpu time spent up to now is 54.3 secs Computing kpt #: 106 total cpu time spent up to now is 54.9 secs Computing kpt #: 107 total cpu time spent up to now is 55.5 secs Computing kpt #: 108 total cpu time spent up to now is 56.1 secs Computing kpt #: 109 total cpu time spent up to now is 56.6 secs Computing kpt #: 110 total cpu time spent up to now is 57.2 secs Computing kpt #: 111 total cpu time spent up to now is 57.7 secs Computing kpt #: 112 total cpu time spent up to now is 58.3 secs Computing kpt #: 113 total cpu time spent up to now is 59.0 secs Computing kpt #: 114 total cpu time spent up to now is 59.7 secs Computing kpt #: 115 total cpu time spent up to now is 60.6 secs Computing kpt #: 116 total cpu time spent up to now is 61.5 secs Computing kpt #: 117 total cpu time spent up to now is 62.3 secs Computing kpt #: 118 total cpu time spent up to now is 63.0 secs Computing kpt #: 119 total cpu time spent up to now is 63.7 secs Computing kpt #: 120 total cpu time spent up to now is 64.4 secs Computing kpt #: 121 total cpu time spent up to now is 65.2 secs Computing kpt #: 122 total cpu time spent up to now is 66.0 secs Computing kpt #: 123 total cpu time spent up to now is 66.7 secs Computing kpt #: 124 total cpu time spent up to now is 67.6 secs Computing kpt #: 125 total cpu time spent up to now is 68.4 secs Computing kpt #: 126 total cpu time spent up to now is 69.1 secs Computing kpt #: 127 total cpu time spent up to now is 69.8 secs Computing kpt #: 128 total cpu time spent up to now is 70.5 secs Computing kpt #: 129 total cpu time spent up to now is 71.1 secs Computing kpt #: 130 total cpu time spent up to now is 71.6 secs Computing kpt #: 131 total cpu time spent up to now is 72.1 secs Computing kpt #: 132 total cpu time spent up to now is 72.7 secs Computing kpt #: 133 total cpu time spent up to now is 73.2 secs Computing kpt #: 134 total cpu time spent up to now is 73.7 secs Computing kpt #: 135 total cpu time spent up to now is 74.2 secs Computing kpt #: 136 total cpu time spent up to now is 74.7 secs Computing kpt #: 137 total cpu time spent up to now is 75.2 secs Computing kpt #: 138 total cpu time spent up to now is 75.7 secs Computing kpt #: 139 total cpu time spent up to now is 76.1 secs Computing kpt #: 140 total cpu time spent up to now is 76.6 secs Computing kpt #: 141 total cpu time spent up to now is 77.1 secs Computing kpt #: 142 total cpu time spent up to now is 77.6 secs Computing kpt #: 143 total cpu time spent up to now is 78.1 secs Computing kpt #: 144 total cpu time spent up to now is 78.5 secs Computing kpt #: 145 total cpu time spent up to now is 79.0 secs Computing kpt #: 146 total cpu time spent up to now is 79.5 secs Computing kpt #: 147 total cpu time spent up to now is 80.0 secs Computing kpt #: 148 total cpu time spent up to now is 80.5 secs Computing kpt #: 149 total cpu time spent up to now is 81.0 secs Computing kpt #: 150 total cpu time spent up to now is 81.5 secs Computing kpt #: 151 total cpu time spent up to now is 82.0 secs Computing kpt #: 152 total cpu time spent up to now is 82.6 secs Computing kpt #: 153 total cpu time spent up to now is 83.1 secs Computing kpt #: 154 total cpu time spent up to now is 83.6 secs Computing kpt #: 155 total cpu time spent up to now is 84.1 secs Computing kpt #: 156 total cpu time spent up to now is 84.7 secs Computing kpt #: 157 total cpu time spent up to now is 85.1 secs Computing kpt #: 158 total cpu time spent up to now is 85.6 secs Computing kpt #: 159 total cpu time spent up to now is 86.1 secs Computing kpt #: 160 total cpu time spent up to now is 86.5 secs Computing kpt #: 161 total cpu time spent up to now is 86.9 secs Computing kpt #: 162 total cpu time spent up to now is 87.3 secs Computing kpt #: 163 total cpu time spent up to now is 87.7 secs Computing kpt #: 164 total cpu time spent up to now is 88.1 secs Computing kpt #: 165 total cpu time spent up to now is 88.5 secs Computing kpt #: 166 total cpu time spent up to now is 88.9 secs Computing kpt #: 167 total cpu time spent up to now is 89.3 secs Computing kpt #: 168 total cpu time spent up to now is 89.7 secs Computing kpt #: 169 total cpu time spent up to now is 90.1 secs Computing kpt #: 170 total cpu time spent up to now is 90.5 secs Computing kpt #: 171 total cpu time spent up to now is 90.9 secs Computing kpt #: 172 total cpu time spent up to now is 91.3 secs Computing kpt #: 173 total cpu time spent up to now is 91.6 secs Computing kpt #: 174 total cpu time spent up to now is 92.0 secs Computing kpt #: 175 total cpu time spent up to now is 92.4 secs Computing kpt #: 176 total cpu time spent up to now is 92.8 secs Computing kpt #: 177 total cpu time spent up to now is 93.2 secs Computing kpt #: 178 total cpu time spent up to now is 93.5 secs Computing kpt #: 179 total cpu time spent up to now is 93.9 secs Computing kpt #: 180 total cpu time spent up to now is 94.3 secs Computing kpt #: 181 total cpu time spent up to now is 94.6 secs Computing kpt #: 182 total cpu time spent up to now is 95.0 secs Computing kpt #: 183 total cpu time spent up to now is 95.3 secs Computing kpt #: 184 total cpu time spent up to now is 95.7 secs Computing kpt #: 185 total cpu time spent up to now is 96.1 secs Computing kpt #: 186 total cpu time spent up to now is 96.4 secs Computing kpt #: 187 total cpu time spent up to now is 96.8 secs Computing kpt #: 188 total cpu time spent up to now is 97.2 secs Computing kpt #: 189 total cpu time spent up to now is 97.6 secs Computing kpt #: 190 total cpu time spent up to now is 98.0 secs Computing kpt #: 191 total cpu time spent up to now is 98.4 secs Computing kpt #: 192 total cpu time spent up to now is 98.8 secs Computing kpt #: 193 total cpu time spent up to now is 99.2 secs Computing kpt #: 194 total cpu time spent up to now is 99.6 secs Computing kpt #: 195 total cpu time spent up to now is 100.0 secs Computing kpt #: 196 total cpu time spent up to now is 100.4 secs Computing kpt #: 197 total cpu time spent up to now is 100.8 secs Computing kpt #: 198 total cpu time spent up to now is 101.2 secs Computing kpt #: 199 total cpu time spent up to now is 101.7 secs Computing kpt #: 200 total cpu time spent up to now is 102.1 secs Computing kpt #: 201 total cpu time spent up to now is 102.5 secs Computing kpt #: 202 total cpu time spent up to now is 103.0 secs Computing kpt #: 203 total cpu time spent up to now is 103.4 secs Computing kpt #: 204 total cpu time spent up to now is 103.9 secs Computing kpt #: 205 total cpu time spent up to now is 104.4 secs Computing kpt #: 206 total cpu time spent up to now is 104.9 secs Computing kpt #: 207 total cpu time spent up to now is 105.4 secs Computing kpt #: 208 total cpu time spent up to now is 105.9 secs Computing kpt #: 209 total cpu time spent up to now is 106.4 secs Computing kpt #: 210 total cpu time spent up to now is 106.8 secs Computing kpt #: 211 total cpu time spent up to now is 107.3 secs Computing kpt #: 212 total cpu time spent up to now is 107.7 secs Computing kpt #: 213 total cpu time spent up to now is 108.2 secs Computing kpt #: 214 total cpu time spent up to now is 108.6 secs Computing kpt #: 215 total cpu time spent up to now is 109.1 secs Computing kpt #: 216 total cpu time spent up to now is 109.5 secs Computing kpt #: 217 total cpu time spent up to now is 110.0 secs Computing kpt #: 218 total cpu time spent up to now is 110.4 secs Computing kpt #: 219 total cpu time spent up to now is 110.9 secs Computing kpt #: 220 total cpu time spent up to now is 111.3 secs Computing kpt #: 221 total cpu time spent up to now is 111.8 secs Computing kpt #: 222 total cpu time spent up to now is 112.3 secs Computing kpt #: 223 total cpu time spent up to now is 112.7 secs Computing kpt #: 224 total cpu time spent up to now is 113.2 secs Computing kpt #: 225 total cpu time spent up to now is 113.6 secs Computing kpt #: 226 total cpu time spent up to now is 114.1 secs Computing kpt #: 227 total cpu time spent up to now is 114.6 secs Computing kpt #: 228 total cpu time spent up to now is 115.1 secs Computing kpt #: 229 total cpu time spent up to now is 115.6 secs Computing kpt #: 230 total cpu time spent up to now is 116.1 secs Computing kpt #: 231 total cpu time spent up to now is 116.6 secs Computing kpt #: 232 total cpu time spent up to now is 117.1 secs Computing kpt #: 233 total cpu time spent up to now is 117.6 secs Computing kpt #: 234 total cpu time spent up to now is 118.1 secs Computing kpt #: 235 total cpu time spent up to now is 118.6 secs Computing kpt #: 236 total cpu time spent up to now is 119.1 secs Computing kpt #: 237 total cpu time spent up to now is 119.6 secs Computing kpt #: 238 total cpu time spent up to now is 120.1 secs Computing kpt #: 239 total cpu time spent up to now is 120.6 secs Computing kpt #: 240 total cpu time spent up to now is 121.0 secs Computing kpt #: 241 total cpu time spent up to now is 121.5 secs Computing kpt #: 242 total cpu time spent up to now is 121.9 secs Computing kpt #: 243 total cpu time spent up to now is 122.3 secs Computing kpt #: 244 total cpu time spent up to now is 122.8 secs Computing kpt #: 245 total cpu time spent up to now is 123.3 secs Computing kpt #: 246 total cpu time spent up to now is 123.8 secs Computing kpt #: 247 total cpu time spent up to now is 124.3 secs Computing kpt #: 248 total cpu time spent up to now is 124.8 secs Computing kpt #: 249 total cpu time spent up to now is 125.3 secs Computing kpt #: 250 total cpu time spent up to now is 125.7 secs Computing kpt #: 251 total cpu time spent up to now is 126.2 secs Computing kpt #: 252 total cpu time spent up to now is 126.7 secs Computing kpt #: 253 total cpu time spent up to now is 127.1 secs Computing kpt #: 254 total cpu time spent up to now is 127.6 secs Computing kpt #: 255 total cpu time spent up to now is 128.1 secs Computing kpt #: 256 total cpu time spent up to now is 128.6 secs Computing kpt #: 257 total cpu time spent up to now is 129.1 secs Computing kpt #: 258 total cpu time spent up to now is 129.4 secs Computing kpt #: 259 total cpu time spent up to now is 129.8 secs Computing kpt #: 260 total cpu time spent up to now is 130.1 secs Computing kpt #: 261 total cpu time spent up to now is 130.5 secs Computing kpt #: 262 total cpu time spent up to now is 130.9 secs Computing kpt #: 263 total cpu time spent up to now is 131.2 secs Computing kpt #: 264 total cpu time spent up to now is 131.6 secs Computing kpt #: 265 total cpu time spent up to now is 132.0 secs Computing kpt #: 266 total cpu time spent up to now is 132.4 secs Computing kpt #: 267 total cpu time spent up to now is 132.7 secs Computing kpt #: 268 total cpu time spent up to now is 133.1 secs Computing kpt #: 269 total cpu time spent up to now is 133.5 secs Computing kpt #: 270 total cpu time spent up to now is 133.9 secs Computing kpt #: 271 total cpu time spent up to now is 134.3 secs Computing kpt #: 272 total cpu time spent up to now is 134.7 secs Computing kpt #: 273 total cpu time spent up to now is 135.1 secs Computing kpt #: 274 total cpu time spent up to now is 135.5 secs Computing kpt #: 275 total cpu time spent up to now is 135.9 secs Computing kpt #: 276 total cpu time spent up to now is 136.3 secs Computing kpt #: 277 total cpu time spent up to now is 136.7 secs Computing kpt #: 278 total cpu time spent up to now is 137.1 secs Computing kpt #: 279 total cpu time spent up to now is 137.6 secs Computing kpt #: 280 total cpu time spent up to now is 138.1 secs Computing kpt #: 281 total cpu time spent up to now is 138.5 secs Computing kpt #: 282 total cpu time spent up to now is 139.0 secs Computing kpt #: 283 total cpu time spent up to now is 139.4 secs Computing kpt #: 284 total cpu time spent up to now is 139.9 secs Computing kpt #: 285 total cpu time spent up to now is 140.4 secs Computing kpt #: 286 total cpu time spent up to now is 140.9 secs Computing kpt #: 287 total cpu time spent up to now is 141.3 secs Computing kpt #: 288 total cpu time spent up to now is 141.8 secs Computing kpt #: 289 total cpu time spent up to now is 142.3 secs Computing kpt #: 290 total cpu time spent up to now is 142.9 secs Computing kpt #: 291 total cpu time spent up to now is 143.4 secs Computing kpt #: 292 total cpu time spent up to now is 143.8 secs Computing kpt #: 293 total cpu time spent up to now is 144.3 secs Computing kpt #: 294 total cpu time spent up to now is 144.8 secs Computing kpt #: 295 total cpu time spent up to now is 145.3 secs Computing kpt #: 296 total cpu time spent up to now is 145.8 secs Computing kpt #: 297 total cpu time spent up to now is 146.3 secs Computing kpt #: 298 total cpu time spent up to now is 146.7 secs Computing kpt #: 299 total cpu time spent up to now is 147.3 secs Computing kpt #: 300 total cpu time spent up to now is 147.8 secs Computing kpt #: 301 total cpu time spent up to now is 148.3 secs Computing kpt #: 302 total cpu time spent up to now is 148.7 secs Computing kpt #: 303 total cpu time spent up to now is 149.2 secs ethr = 2.50E-08, avg # of iterations = 22.9 total cpu time spent up to now is 149.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6437 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2613 -36.2613 -36.2522 -36.2522 -35.9742 -35.9742 -35.9732 -35.9732 -35.9650 -35.9650 -35.9635 -35.9635 -28.8687 -28.8687 -11.6742 -11.6742 -10.5672 -10.5672 -10.4974 -10.4974 -4.4539 -4.4539 -3.5272 -3.5272 2.1435 2.1435 4.9783 4.9783 5.1238 5.1238 5.7138 5.7138 5.9862 5.9862 6.0543 6.0543 7.5223 7.5223 8.2412 8.2412 8.9037 8.9037 9.5875 9.5875 k = 0.0119 0.0069-0.0000 ( 6441 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2613 -36.2613 -36.2522 -36.2522 -35.9742 -35.9742 -35.9732 -35.9732 -35.9650 -35.9650 -35.9635 -35.9635 -28.8687 -28.8687 -11.6743 -11.6743 -10.5672 -10.5672 -10.4976 -10.4976 -4.4530 -4.4530 -3.5270 -3.5270 2.1449 2.1449 4.9751 4.9751 5.1204 5.1204 5.7100 5.7100 5.9808 5.9808 6.0465 6.0465 7.5337 7.5337 8.2470 8.2470 8.9061 8.9061 9.5906 9.5906 k = 0.0238 0.0137-0.0000 ( 6445 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2613 -36.2613 -36.2522 -36.2522 -35.9742 -35.9742 -35.9733 -35.9733 -35.9650 -35.9650 -35.9635 -35.9635 -28.8687 -28.8687 -11.6744 -11.6744 -10.5673 -10.5673 -10.4980 -10.4980 -4.4503 -4.4503 -3.5264 -3.5264 2.1489 2.1489 4.9649 4.9649 5.1108 5.1108 5.6979 5.6979 5.9618 5.9618 6.0278 6.0278 7.5665 7.5665 8.2640 8.2640 8.9132 8.9132 9.5997 9.5997 k = 0.0357 0.0206-0.0000 ( 6441 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2613 -36.2613 -36.2522 -36.2522 -35.9742 -35.9742 -35.9732 -35.9732 -35.9650 -35.9650 -35.9635 -35.9635 -28.8686 -28.8686 -11.6747 -11.6747 -10.5673 -10.5673 -10.4987 -10.4987 -4.4458 -4.4458 -3.5254 -3.5254 2.1556 2.1556 4.9465 4.9465 5.0967 5.0967 5.6754 5.6754 5.9255 5.9255 6.0080 6.0080 7.6170 7.6170 8.2916 8.2916 8.9246 8.9246 9.6141 9.6141 k = 0.0476 0.0275-0.0000 ( 6447 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2613 -36.2613 -36.2522 -36.2522 -35.9742 -35.9742 -35.9733 -35.9733 -35.9650 -35.9650 -35.9636 -35.9636 -28.8686 -28.8686 -11.6750 -11.6750 -10.5674 -10.5674 -10.4997 -10.4997 -4.4396 -4.4396 -3.5241 -3.5241 2.1650 2.1650 4.9184 4.9184 5.0804 5.0804 5.6388 5.6388 5.8776 5.8776 5.9898 5.9898 7.6804 7.6804 8.3281 8.3281 8.9400 8.9400 9.6316 9.6316 k = 0.0595 0.0344-0.0000 ( 6433 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2613 -36.2613 -36.2522 -36.2522 -35.9742 -35.9742 -35.9732 -35.9732 -35.9650 -35.9650 -35.9635 -35.9635 -28.8685 -28.8685 -11.6755 -11.6755 -10.5674 -10.5674 -10.5010 -10.5010 -4.4316 -4.4316 -3.5224 -3.5224 2.1770 2.1770 4.8794 4.8794 5.0640 5.0640 5.5837 5.5837 5.8292 5.8292 5.9711 5.9711 7.7521 7.7521 8.3714 8.3714 8.9590 8.9590 9.6497 9.6497 k = 0.0714 0.0412-0.0000 ( 6427 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2613 -36.2613 -36.2523 -36.2523 -35.9742 -35.9742 -35.9733 -35.9733 -35.9650 -35.9650 -35.9635 -35.9635 -28.8684 -28.8684 -11.6760 -11.6760 -10.5675 -10.5675 -10.5025 -10.5025 -4.4219 -4.4219 -3.5203 -3.5203 2.1915 2.1915 4.8296 4.8296 5.0481 5.0481 5.5092 5.5092 5.7867 5.7867 5.9505 5.9505 7.8280 7.8280 8.4185 8.4185 8.9818 8.9818 9.6672 9.6672 k = 0.0833 0.0481-0.0000 ( 6429 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2612 -36.2612 -36.2523 -36.2523 -35.9742 -35.9742 -35.9733 -35.9733 -35.9650 -35.9650 -35.9636 -35.9636 -28.8682 -28.8682 -11.6767 -11.6767 -10.5677 -10.5677 -10.5042 -10.5042 -4.4105 -4.4105 -3.5178 -3.5178 2.2086 2.2086 4.7702 4.7702 5.0329 5.0329 5.4192 5.4192 5.7504 5.7504 5.9276 5.9276 7.9051 7.9051 8.4648 8.4648 9.0098 9.0098 9.6843 9.6843 k = 0.0952 0.0550-0.0000 ( 6435 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2612 -36.2612 -36.2524 -36.2524 -35.9742 -35.9742 -35.9733 -35.9733 -35.9650 -35.9650 -35.9636 -35.9636 -28.8681 -28.8681 -11.6774 -11.6774 -10.5678 -10.5678 -10.5062 -10.5062 -4.3975 -4.3975 -3.5151 -3.5151 2.2282 2.2282 4.7024 4.7024 5.0178 5.0178 5.3192 5.3192 5.7176 5.7176 5.9025 5.9025 7.9812 7.9812 8.5046 8.5046 9.0459 9.0459 9.7025 9.7025 k = 0.1071 0.0619-0.0000 ( 6431 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2611 -36.2611 -36.2524 -36.2524 -35.9742 -35.9742 -35.9733 -35.9733 -35.9650 -35.9650 -35.9636 -35.9636 -28.8679 -28.8679 -11.6783 -11.6783 -10.5680 -10.5680 -10.5084 -10.5084 -4.3828 -4.3828 -3.5120 -3.5120 2.2501 2.2501 4.6275 4.6275 5.0020 5.0020 5.2139 5.2139 5.6862 5.6862 5.8752 5.8752 8.0548 8.0548 8.5317 8.5317 9.0943 9.0943 9.7240 9.7240 k = 0.1190 0.0687-0.0000 ( 6429 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2611 -36.2611 -36.2525 -36.2525 -35.9742 -35.9742 -35.9732 -35.9732 -35.9650 -35.9650 -35.9636 -35.9636 -28.8678 -28.8678 -11.6792 -11.6792 -10.5683 -10.5683 -10.5107 -10.5107 -4.3665 -4.3665 -3.5086 -3.5086 2.2744 2.2744 4.5465 4.5465 4.9841 4.9841 5.1079 5.1079 5.6550 5.6550 5.8459 5.8459 8.1253 8.1253 8.5415 8.5415 9.1580 9.1580 9.7504 9.7504 k = 0.1310 0.0756-0.0000 ( 6423 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2610 -36.2610 -36.2526 -36.2526 -35.9742 -35.9742 -35.9732 -35.9732 -35.9650 -35.9650 -35.9636 -35.9636 -28.8676 -28.8676 -11.6802 -11.6802 -10.5687 -10.5687 -10.5131 -10.5131 -4.3488 -4.3488 -3.5050 -3.5050 2.3009 2.3009 4.4603 4.4603 4.9542 4.9542 5.0130 5.0130 5.6232 5.6232 5.8149 5.8149 8.1922 8.1922 8.5332 8.5332 9.2372 9.2372 9.7828 9.7828 k = 0.1429 0.0825-0.0000 ( 6437 PWs) bands (ev): -69.3160 -69.3160 -69.3141 -69.3141 -36.2610 -36.2610 -36.2526 -36.2526 -35.9742 -35.9742 -35.9732 -35.9732 -35.9650 -35.9650 -35.9636 -35.9636 -28.8674 -28.8674 -11.6813 -11.6813 -10.5691 -10.5691 -10.5157 -10.5157 -4.3295 -4.3295 -3.5011 -3.5011 2.3296 2.3296 4.3697 4.3697 4.8739 4.8739 4.9693 4.9693 5.5905 5.5905 5.7823 5.7823 8.2552 8.2552 8.5092 8.5092 9.3291 9.3291 9.8209 9.8209 k = 0.1548 0.0894-0.0000 ( 6433 PWs) bands (ev): -69.3160 -69.3160 -69.3141 -69.3141 -36.2609 -36.2609 -36.2527 -36.2527 -35.9742 -35.9742 -35.9732 -35.9732 -35.9651 -35.9651 -35.9636 -35.9636 -28.8672 -28.8672 -11.6825 -11.6825 -10.5697 -10.5697 -10.5183 -10.5183 -4.3089 -4.3089 -3.4971 -3.4971 2.3602 2.3602 4.2752 4.2752 4.7726 4.7726 4.9483 4.9483 5.5568 5.5568 5.7485 5.7485 8.3129 8.3129 8.4750 8.4750 9.4297 9.4297 9.8608 9.8608 k = 0.1667 0.0962-0.0000 ( 6431 PWs) bands (ev): -69.3160 -69.3160 -69.3141 -69.3141 -36.2609 -36.2609 -36.2528 -36.2528 -35.9743 -35.9743 -35.9732 -35.9732 -35.9651 -35.9651 -35.9636 -35.9636 -28.8670 -28.8670 -11.6837 -11.6837 -10.5704 -10.5704 -10.5209 -10.5209 -4.2870 -4.2870 -3.4928 -3.4928 2.3926 2.3926 4.1774 4.1774 4.6714 4.6714 4.9301 4.9301 5.5221 5.5221 5.7137 5.7137 8.3545 8.3545 8.4449 8.4449 9.5341 9.5341 9.8923 9.8923 k = 0.1786 0.1031-0.0000 ( 6428 PWs) bands (ev): -69.3160 -69.3160 -69.3141 -69.3141 -36.2608 -36.2608 -36.2529 -36.2529 -35.9743 -35.9743 -35.9731 -35.9731 -35.9651 -35.9651 -35.9636 -35.9636 -28.8667 -28.8667 -11.6850 -11.6850 -10.5712 -10.5712 -10.5235 -10.5235 -4.2638 -4.2638 -3.4885 -3.4885 2.4267 2.4267 4.0771 4.0771 4.5732 4.5732 4.9121 4.9121 5.4864 5.4864 5.6781 5.6781 8.3407 8.3407 8.4616 8.4616 9.6377 9.6377 9.9187 9.9187 k = 0.1905 0.1100-0.0000 ( 6434 PWs) bands (ev): -69.3160 -69.3160 -69.3141 -69.3141 -36.2607 -36.2607 -36.2530 -36.2530 -35.9743 -35.9743 -35.9731 -35.9731 -35.9651 -35.9651 -35.9636 -35.9636 -28.8665 -28.8665 -11.6863 -11.6863 -10.5722 -10.5722 -10.5260 -10.5260 -4.2394 -4.2394 -3.4840 -3.4840 2.4622 2.4622 3.9749 3.9749 4.4791 4.4791 4.8942 4.8942 5.4497 5.4497 5.6420 5.6420 8.2895 8.2895 8.5095 8.5095 9.7356 9.7356 9.9458 9.9458 k = 0.2024 0.1168-0.0000 ( 6450 PWs) bands (ev): -69.3160 -69.3160 -69.3142 -69.3142 -36.2607 -36.2607 -36.2531 -36.2531 -35.9744 -35.9744 -35.9731 -35.9731 -35.9652 -35.9652 -35.9636 -35.9636 -28.8662 -28.8662 -11.6877 -11.6877 -10.5734 -10.5734 -10.5284 -10.5284 -4.2139 -4.2139 -3.4795 -3.4795 2.4989 2.4989 3.8714 3.8714 4.3892 4.3892 4.8761 4.8761 5.4122 5.4122 5.6055 5.6055 8.2294 8.2294 8.5621 8.5621 9.8243 9.8243 9.9751 9.9751 k = 0.2143 0.1237-0.0000 ( 6446 PWs) bands (ev): -69.3159 -69.3159 -69.3142 -69.3142 -36.2606 -36.2606 -36.2532 -36.2532 -35.9744 -35.9744 -35.9731 -35.9731 -35.9652 -35.9652 -35.9636 -35.9636 -28.8660 -28.8660 -11.6892 -11.6892 -10.5749 -10.5749 -10.5306 -10.5306 -4.1874 -4.1874 -3.4750 -3.4750 2.5365 2.5365 3.7676 3.7676 4.3040 4.3040 4.8580 4.8580 5.3738 5.3738 5.5690 5.5690 8.1661 8.1661 8.6154 8.6154 9.9022 9.9022 10.0070 10.0070 k = 0.2262 0.1306-0.0000 ( 6442 PWs) bands (ev): -69.3159 -69.3159 -69.3142 -69.3142 -36.2605 -36.2605 -36.2533 -36.2533 -35.9744 -35.9744 -35.9730 -35.9730 -35.9652 -35.9652 -35.9636 -35.9636 -28.8657 -28.8657 -11.6906 -11.6906 -10.5765 -10.5765 -10.5326 -10.5326 -4.1600 -4.1600 -3.4705 -3.4705 2.5746 2.5746 3.6641 3.6641 4.2236 4.2236 4.8398 4.8398 5.3347 5.3347 5.5325 5.5325 8.1017 8.1017 8.6682 8.6682 9.9693 9.9693 10.0418 10.0418 k = 0.2381 0.1375-0.0000 ( 6444 PWs) bands (ev): -69.3159 -69.3159 -69.3142 -69.3142 -36.2604 -36.2604 -36.2534 -36.2534 -35.9745 -35.9745 -35.9730 -35.9730 -35.9653 -35.9653 -35.9636 -35.9636 -28.8655 -28.8655 -11.6921 -11.6921 -10.5785 -10.5785 -10.5344 -10.5344 -4.1319 -4.1319 -3.4661 -3.4661 2.6128 2.6128 3.5616 3.5616 4.1482 4.1482 4.8217 4.8217 5.2949 5.2949 5.4964 5.4964 8.0372 8.0372 8.7204 8.7204 10.0266 10.0266 10.0794 10.0794 k = 0.2500 0.1443-0.0000 ( 6438 PWs) bands (ev): -69.3159 -69.3159 -69.3142 -69.3142 -36.2603 -36.2603 -36.2535 -36.2535 -35.9745 -35.9745 -35.9729 -35.9729 -35.9653 -35.9653 -35.9635 -35.9635 -28.8652 -28.8652 -11.6937 -11.6937 -10.5806 -10.5806 -10.5359 -10.5359 -4.1030 -4.1030 -3.4619 -3.4619 2.6504 2.6504 3.4611 3.4611 4.0780 4.0780 4.8036 4.8036 5.2543 5.2543 5.4609 5.4609 7.9733 7.9733 8.7717 8.7717 10.0742 10.0742 10.1197 10.1197 k = 0.2619 0.1512-0.0000 ( 6430 PWs) bands (ev): -69.3158 -69.3158 -69.3143 -69.3143 -36.2602 -36.2602 -36.2536 -36.2536 -35.9745 -35.9745 -35.9728 -35.9728 -35.9654 -35.9654 -35.9635 -35.9635 -28.8649 -28.8649 -11.6952 -11.6952 -10.5830 -10.5830 -10.5372 -10.5372 -4.0735 -4.0735 -3.4579 -3.4579 2.6865 2.6865 3.3634 3.3634 4.0132 4.0132 4.7858 4.7858 5.2131 5.2131 5.4260 5.4260 7.9108 7.9108 8.8219 8.8219 10.1115 10.1115 10.1622 10.1622 k = 0.2738 0.1581-0.0000 ( 6420 PWs) bands (ev): -69.3158 -69.3158 -69.3143 -69.3143 -36.2601 -36.2601 -36.2537 -36.2537 -35.9746 -35.9746 -35.9727 -35.9727 -35.9654 -35.9654 -35.9635 -35.9635 -28.8647 -28.8647 -11.6967 -11.6967 -10.5855 -10.5855 -10.5383 -10.5383 -4.0436 -4.0436 -3.4541 -3.4541 2.7200 2.7200 3.2697 3.2697 3.9543 3.9543 4.7683 4.7683 5.1713 5.1713 5.3921 5.3921 7.8501 7.8501 8.8708 8.8708 10.1367 10.1367 10.2070 10.2070 k = 0.2857 0.1650-0.0000 ( 6426 PWs) bands (ev): -69.3158 -69.3158 -69.3143 -69.3143 -36.2600 -36.2600 -36.2538 -36.2538 -35.9746 -35.9746 -35.9727 -35.9727 -35.9655 -35.9655 -35.9635 -35.9635 -28.8644 -28.8644 -11.6983 -11.6983 -10.5881 -10.5881 -10.5392 -10.5392 -4.0133 -4.0133 -3.4507 -3.4507 2.7489 2.7489 3.1818 3.1818 3.9018 3.9018 4.7511 4.7511 5.1288 5.1288 5.3593 5.3593 7.7914 7.7914 8.9182 8.9182 10.1474 10.1474 10.2538 10.2538 k = 0.2976 0.1718-0.0000 ( 6424 PWs) bands (ev): -69.3158 -69.3158 -69.3143 -69.3143 -36.2599 -36.2599 -36.2540 -36.2540 -35.9747 -35.9747 -35.9726 -35.9726 -35.9656 -35.9656 -35.9634 -35.9634 -28.8642 -28.8642 -11.6998 -11.6998 -10.5909 -10.5909 -10.5399 -10.5399 -3.9829 -3.9829 -3.4477 -3.4477 2.7695 2.7695 3.1028 3.1028 3.8562 3.8562 4.7344 4.7344 5.0858 5.0858 5.3276 5.3276 7.7351 7.7351 8.9639 8.9639 10.1419 10.1419 10.3011 10.3011 k = 0.3095 0.1787-0.0000 ( 6428 PWs) bands (ev): -69.3157 -69.3157 -69.3144 -69.3144 -36.2598 -36.2598 -36.2541 -36.2541 -35.9747 -35.9747 -35.9726 -35.9726 -35.9656 -35.9656 -35.9634 -35.9634 -28.8639 -28.8639 -11.7013 -11.7013 -10.5937 -10.5937 -10.5404 -10.5404 -3.9523 -3.9523 -3.4451 -3.4451 2.7755 2.7755 3.0387 3.0387 3.8183 3.8183 4.7182 4.7182 5.0422 5.0422 5.2974 5.2974 7.6813 7.6813 9.0075 9.0075 10.1202 10.1202 10.3366 10.3366 k = 0.3214 0.1856-0.0000 ( 6428 PWs) bands (ev): -69.3157 -69.3157 -69.3144 -69.3144 -36.2597 -36.2597 -36.2542 -36.2542 -35.9748 -35.9748 -35.9725 -35.9725 -35.9657 -35.9657 -35.9634 -35.9634 -28.8637 -28.8637 -11.7028 -11.7028 -10.5965 -10.5965 -10.5409 -10.5409 -3.9217 -3.9217 -3.4431 -3.4431 2.7585 2.7585 2.9973 2.9973 3.7888 3.7888 4.7025 4.7025 4.9980 4.9980 5.2685 5.2685 7.6304 7.6304 9.0489 9.0489 10.0841 10.0841 10.3651 10.3651 k = 0.3333 0.1925-0.0000 ( 6432 PWs) bands (ev): -69.3157 -69.3157 -69.3144 -69.3144 -36.2596 -36.2596 -36.2543 -36.2543 -35.9748 -35.9748 -35.9725 -35.9725 -35.9658 -35.9658 -35.9634 -35.9634 -28.8634 -28.8634 -11.7042 -11.7042 -10.5993 -10.5993 -10.5412 -10.5412 -3.8914 -3.8914 -3.4417 -3.4417 2.7172 2.7172 2.9794 2.9794 3.7683 3.7683 4.6875 4.6875 4.9534 4.9534 5.2413 5.2413 7.5823 7.5823 9.0878 9.0878 10.0366 10.0366 10.3961 10.3961 k = 0.3452 0.1993-0.0000 ( 6428 PWs) bands (ev): -69.3156 -69.3156 -69.3144 -69.3144 -36.2595 -36.2595 -36.2544 -36.2544 -35.9749 -35.9749 -35.9724 -35.9724 -35.9658 -35.9658 -35.9633 -35.9633 -28.8632 -28.8632 -11.7055 -11.7055 -10.6021 -10.6021 -10.5414 -10.5414 -3.8614 -3.8614 -3.4410 -3.4410 2.6612 2.6612 2.9751 2.9751 3.7574 3.7574 4.6732 4.6732 4.9083 4.9083 5.2156 5.2156 7.5373 7.5373 9.1242 9.1242 9.9816 9.9816 10.4305 10.4305 k = 0.3571 0.2062-0.0000 ( 6434 PWs) bands (ev): -69.3156 -69.3156 -69.3145 -69.3145 -36.2594 -36.2594 -36.2546 -36.2546 -35.9749 -35.9749 -35.9723 -35.9723 -35.9659 -35.9659 -35.9633 -35.9633 -28.8630 -28.8630 -11.7068 -11.7068 -10.6047 -10.6047 -10.5415 -10.5415 -3.8318 -3.8318 -3.4410 -3.4410 2.6001 2.6001 2.9748 2.9748 3.7561 3.7561 4.6596 4.6596 4.8629 4.8629 5.1917 5.1917 7.4954 7.4954 9.1579 9.1579 9.9223 9.9223 10.4683 10.4683 k = 0.3690 0.2131-0.0000 ( 6436 PWs) bands (ev): -69.3156 -69.3156 -69.3145 -69.3145 -36.2593 -36.2593 -36.2547 -36.2547 -35.9749 -35.9749 -35.9723 -35.9723 -35.9659 -35.9659 -35.9633 -35.9633 -28.8628 -28.8628 -11.7081 -11.7081 -10.6072 -10.6072 -10.5416 -10.5416 -3.8028 -3.8028 -3.4418 -3.4418 2.5390 2.5390 2.9738 2.9738 3.7640 3.7640 4.6466 4.6466 4.8173 4.8173 5.1695 5.1695 7.4567 7.4567 9.1889 9.1889 9.8613 9.8613 10.5090 10.5090 k = 0.3810 0.2199-0.0000 ( 6436 PWs) bands (ev): -69.3156 -69.3156 -69.3145 -69.3145 -36.2592 -36.2592 -36.2548 -36.2548 -35.9750 -35.9750 -35.9722 -35.9722 -35.9660 -35.9660 -35.9633 -35.9633 -28.8626 -28.8626 -11.7092 -11.7092 -10.6096 -10.6096 -10.5416 -10.5416 -3.7746 -3.7746 -3.4435 -3.4435 2.4804 2.4804 2.9706 2.9706 3.7803 3.7803 4.6344 4.6344 4.7717 4.7717 5.1492 5.1492 7.4213 7.4213 9.2172 9.2172 9.8009 9.8009 10.5522 10.5522 k = 0.3929 0.2268-0.0000 ( 6448 PWs) bands (ev): -69.3155 -69.3155 -69.3146 -69.3146 -36.2591 -36.2591 -36.2549 -36.2549 -35.9750 -35.9750 -35.9722 -35.9722 -35.9661 -35.9661 -35.9632 -35.9632 -28.8625 -28.8625 -11.7103 -11.7103 -10.6118 -10.6118 -10.5416 -10.5416 -3.7473 -3.7473 -3.4461 -3.4461 2.4256 2.4256 2.9650 2.9650 3.8038 3.8038 4.6224 4.6224 4.7265 4.7265 5.1307 5.1307 7.3891 7.3891 9.2429 9.2429 9.7425 9.7425 10.5971 10.5971 k = 0.4048 0.2337-0.0000 ( 6456 PWs) bands (ev): -69.3155 -69.3155 -69.3146 -69.3146 -36.2591 -36.2591 -36.2551 -36.2551 -35.9750 -35.9750 -35.9721 -35.9721 -35.9661 -35.9661 -35.9632 -35.9632 -28.8623 -28.8623 -11.7113 -11.7113 -10.6139 -10.6139 -10.5416 -10.5416 -3.7211 -3.7211 -3.4496 -3.4496 2.3754 2.3754 2.9575 2.9575 3.8333 3.8333 4.6100 4.6100 4.6827 4.6827 5.1140 5.1140 7.3603 7.3603 9.2661 9.2661 9.6873 9.6873 10.6429 10.6429 k = 0.4167 0.2406-0.0000 ( 6456 PWs) bands (ev): -69.3155 -69.3155 -69.3146 -69.3146 -36.2590 -36.2590 -36.2552 -36.2552 -35.9751 -35.9751 -35.9721 -35.9721 -35.9662 -35.9662 -35.9632 -35.9632 -28.8622 -28.8622 -11.7122 -11.7122 -10.6157 -10.6157 -10.5416 -10.5416 -3.6961 -3.6961 -3.4541 -3.4541 2.3302 2.3302 2.9488 2.9488 3.8672 3.8672 4.5941 4.5941 4.6437 4.6437 5.0992 5.0992 7.3349 7.3349 9.2871 9.2871 9.6361 9.6361 10.6886 10.6886 k = 0.4286 0.2474-0.0000 ( 6458 PWs) bands (ev): -69.3155 -69.3155 -69.3146 -69.3146 -36.2589 -36.2589 -36.2552 -36.2552 -35.9751 -35.9751 -35.9721 -35.9721 -35.9662 -35.9662 -35.9632 -35.9632 -28.8620 -28.8620 -11.7130 -11.7130 -10.6173 -10.6173 -10.5415 -10.5415 -3.6725 -3.6725 -3.4595 -3.4595 2.2905 2.2905 2.9398 2.9398 3.9043 3.9043 4.5670 4.5670 4.6175 4.6175 5.0864 5.0864 7.3128 7.3128 9.3060 9.3060 9.5895 9.5895 10.7329 10.7329 k = 0.4405 0.2543-0.0000 ( 6452 PWs) bands (ev): -69.3155 -69.3155 -69.3146 -69.3146 -36.2588 -36.2588 -36.2553 -36.2553 -35.9751 -35.9751 -35.9720 -35.9720 -35.9663 -35.9663 -35.9632 -35.9632 -28.8619 -28.8619 -11.7136 -11.7136 -10.6187 -10.6187 -10.5415 -10.5415 -3.6506 -3.6506 -3.4658 -3.4658 2.2565 2.2565 2.9310 2.9310 3.9431 3.9431 4.5292 4.5292 4.6041 4.6041 5.0755 5.0755 7.2940 7.2940 9.3232 9.3232 9.5479 9.5479 10.7746 10.7746 k = 0.4524 0.2612-0.0000 ( 6456 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2588 -36.2588 -36.2554 -36.2554 -35.9751 -35.9751 -35.9720 -35.9720 -35.9663 -35.9663 -35.9632 -35.9632 -28.8619 -28.8619 -11.7142 -11.7142 -10.6198 -10.6198 -10.5414 -10.5414 -3.6306 -3.6306 -3.4728 -3.4728 2.2284 2.2284 2.9232 2.9232 3.9820 3.9820 4.4890 4.4890 4.5962 4.5962 5.0666 5.0666 7.2787 7.2787 9.3390 9.3390 9.5115 9.5115 10.8121 10.8121 k = 0.4643 0.2681-0.0000 ( 6462 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2587 -36.2587 -36.2555 -36.2555 -35.9751 -35.9751 -35.9720 -35.9720 -35.9663 -35.9663 -35.9632 -35.9632 -28.8618 -28.8618 -11.7146 -11.7146 -10.6207 -10.6207 -10.5414 -10.5414 -3.6132 -3.6132 -3.4800 -3.4800 2.2064 2.2064 2.9166 2.9166 4.0189 4.0189 4.4508 4.4508 4.5909 4.5909 5.0597 5.0597 7.2668 7.2668 9.3538 9.3538 9.4802 9.4802 10.8439 10.8439 k = 0.4762 0.2749-0.0000 ( 6462 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2587 -36.2587 -36.2555 -36.2555 -35.9751 -35.9751 -35.9720 -35.9720 -35.9664 -35.9664 -35.9632 -35.9632 -28.8617 -28.8617 -11.7150 -11.7150 -10.6214 -10.6214 -10.5414 -10.5414 -3.5990 -3.5990 -3.4868 -3.4868 2.1906 2.1906 2.9118 2.9118 4.0508 4.0508 4.4179 4.4179 4.5873 4.5873 5.0547 5.0547 7.2583 7.2583 9.3679 9.3679 9.4541 9.4541 10.8682 10.8682 k = 0.4881 0.2818-0.0000 ( 6474 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2587 -36.2587 -36.2555 -36.2555 -35.9752 -35.9752 -35.9720 -35.9720 -35.9664 -35.9664 -35.9632 -35.9632 -28.8617 -28.8617 -11.7151 -11.7151 -10.6218 -10.6218 -10.5414 -10.5414 -3.5894 -3.5894 -3.4920 -3.4920 2.1811 2.1811 2.9087 2.9087 4.0735 4.0735 4.3947 4.3947 4.5852 4.5852 5.0517 5.0517 7.2532 7.2532 9.3807 9.3807 9.4341 9.4341 10.8835 10.8835 k = 0.5000 0.2887-0.0000 ( 6492 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2587 -36.2587 -36.2556 -36.2556 -35.9752 -35.9752 -35.9720 -35.9720 -35.9664 -35.9664 -35.9632 -35.9632 -28.8617 -28.8617 -11.7152 -11.7152 -10.6219 -10.6219 -10.5414 -10.5414 -3.5860 -3.5860 -3.4939 -3.4939 2.1779 2.1779 2.9077 2.9077 4.0819 4.0819 4.3862 4.3862 4.5845 4.5845 5.0507 5.0507 7.2514 7.2514 9.3874 9.3874 9.4249 9.4249 10.8888 10.8888 k = 0.5000 0.2887-0.0000 ( 6492 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2587 -36.2587 -36.2556 -36.2556 -35.9752 -35.9752 -35.9720 -35.9720 -35.9664 -35.9664 -35.9632 -35.9632 -28.8617 -28.8617 -11.7152 -11.7152 -10.6219 -10.6219 -10.5414 -10.5414 -3.5860 -3.5860 -3.4939 -3.4939 2.1779 2.1779 2.9077 2.9077 4.0819 4.0819 4.3862 4.3862 4.5845 4.5845 5.0507 5.0507 7.2514 7.2514 9.3874 9.3874 9.4249 9.4249 10.8888 10.8888 k = 0.4931 0.3007-0.0000 ( 6474 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2587 -36.2587 -36.2556 -36.2556 -35.9752 -35.9752 -35.9720 -35.9720 -35.9664 -35.9664 -35.9632 -35.9632 -28.8617 -28.8617 -11.7152 -11.7152 -10.6219 -10.6219 -10.5415 -10.5415 -3.5857 -3.5857 -3.4937 -3.4937 2.1792 2.1792 2.9073 2.9073 4.0824 4.0824 4.3845 4.3845 4.5788 4.5788 5.0483 5.0483 7.2613 7.2613 9.3915 9.3915 9.4252 9.4252 10.8888 10.8888 k = 0.4861 0.3127-0.0000 ( 6466 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2586 -36.2586 -36.2556 -36.2556 -35.9752 -35.9752 -35.9719 -35.9719 -35.9664 -35.9664 -35.9631 -35.9631 -28.8617 -28.8617 -11.7153 -11.7153 -10.6217 -10.6217 -10.5418 -10.5418 -3.5849 -3.5849 -3.4930 -3.4930 2.1829 2.1829 2.9062 2.9062 4.0840 4.0840 4.3788 4.3788 4.5629 4.5629 5.0413 5.0413 7.2906 7.2906 9.4038 9.4038 9.4260 9.4260 10.8867 10.8867 k = 0.4792 0.3248-0.0000 ( 6474 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2586 -36.2586 -36.2556 -36.2556 -35.9752 -35.9752 -35.9719 -35.9719 -35.9665 -35.9665 -35.9631 -35.9631 -28.8617 -28.8617 -11.7153 -11.7153 -10.6215 -10.6215 -10.5423 -10.5423 -3.5835 -3.5835 -3.4918 -3.4918 2.1891 2.1891 2.9044 2.9044 4.0866 4.0866 4.3663 4.3663 4.5405 4.5405 5.0298 5.0298 7.3381 7.3381 9.4221 9.4221 9.4289 9.4289 10.8738 10.8738 k = 0.4722 0.3368-0.0000 ( 6466 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2586 -36.2586 -36.2556 -36.2556 -35.9752 -35.9752 -35.9718 -35.9718 -35.9665 -35.9665 -35.9631 -35.9631 -28.8616 -28.8616 -11.7154 -11.7154 -10.6212 -10.6212 -10.5430 -10.5430 -3.5815 -3.5815 -3.4902 -3.4902 2.1978 2.1978 2.9017 2.9017 4.0901 4.0901 4.3427 4.3427 4.5179 4.5179 5.0141 5.0141 7.4020 7.4020 9.4269 9.4269 9.4526 9.4526 10.8349 10.8349 k = 0.4653 0.3488-0.0000 ( 6462 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2586 -36.2586 -36.2556 -36.2556 -35.9752 -35.9752 -35.9718 -35.9718 -35.9665 -35.9665 -35.9631 -35.9631 -28.8616 -28.8616 -11.7155 -11.7155 -10.6208 -10.6208 -10.5439 -10.5439 -3.5791 -3.5791 -3.4882 -3.4882 2.2090 2.2090 2.8984 2.8984 4.0940 4.0940 4.3040 4.3040 4.5010 4.5010 4.9945 4.9945 7.4803 7.4803 9.4280 9.4280 9.4864 9.4864 10.7687 10.7687 k = 0.4583 0.3608-0.0000 ( 6452 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2585 -36.2585 -36.2556 -36.2556 -35.9752 -35.9752 -35.9717 -35.9717 -35.9666 -35.9666 -35.9631 -35.9631 -28.8616 -28.8616 -11.7156 -11.7156 -10.6203 -10.6203 -10.5449 -10.5449 -3.5761 -3.5761 -3.4858 -3.4858 2.2226 2.2226 2.8943 2.8943 4.0973 4.0973 4.2515 4.2515 4.4919 4.4919 4.9716 4.9716 7.5707 7.5707 9.4284 9.4284 9.5258 9.5258 10.6886 10.6886 k = 0.4514 0.3729-0.0000 ( 6458 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2585 -36.2585 -36.2557 -36.2557 -35.9753 -35.9753 -35.9716 -35.9716 -35.9667 -35.9667 -35.9630 -35.9630 -28.8615 -28.8615 -11.7158 -11.7158 -10.6198 -10.6198 -10.5461 -10.5461 -3.5726 -3.5726 -3.4831 -3.4831 2.2386 2.2386 2.8895 2.8895 4.0950 4.0950 4.1935 4.1935 4.4888 4.4888 4.9458 4.9458 7.6710 7.6710 9.4279 9.4279 9.5694 9.5694 10.6042 10.6042 k = 0.4444 0.3849-0.0000 ( 6466 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2585 -36.2585 -36.2558 -36.2558 -35.9753 -35.9753 -35.9715 -35.9715 -35.9668 -35.9668 -35.9630 -35.9630 -28.8615 -28.8615 -11.7159 -11.7159 -10.6192 -10.6192 -10.5475 -10.5475 -3.5687 -3.5687 -3.4802 -3.4802 2.2569 2.2569 2.8840 2.8840 4.0661 4.0661 4.1549 4.1549 4.4896 4.4896 4.9177 4.9177 7.7792 7.7792 9.4259 9.4259 9.6158 9.6158 10.5208 10.5208 k = 0.4375 0.3969-0.0000 ( 6474 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2584 -36.2584 -36.2558 -36.2558 -35.9754 -35.9754 -35.9714 -35.9714 -35.9669 -35.9669 -35.9630 -35.9630 -28.8615 -28.8615 -11.7161 -11.7161 -10.6186 -10.6186 -10.5490 -10.5490 -3.5643 -3.5643 -3.4770 -3.4770 2.2777 2.2777 2.8779 2.8779 3.9992 3.9992 4.1499 4.1499 4.4926 4.4926 4.8878 4.8878 7.8932 7.8932 9.4221 9.4221 9.6638 9.6638 10.4417 10.4417 k = 0.4306 0.4090-0.0000 ( 6470 PWs) bands (ev): -69.3153 -69.3153 -69.3148 -69.3148 -36.2584 -36.2584 -36.2559 -36.2559 -35.9754 -35.9754 -35.9713 -35.9713 -35.9670 -35.9670 -35.9630 -35.9630 -28.8614 -28.8614 -11.7163 -11.7163 -10.6179 -10.6179 -10.5506 -10.5506 -3.5595 -3.5595 -3.4738 -3.4738 2.3007 2.3007 2.8711 2.8711 3.9181 3.9181 4.1570 4.1570 4.4969 4.4969 4.8568 4.8568 8.0112 8.0112 9.4159 9.4159 9.7119 9.7119 10.3693 10.3693 k = 0.4236 0.4210-0.0000 ( 6474 PWs) bands (ev): -69.3153 -69.3153 -69.3148 -69.3148 -36.2583 -36.2583 -36.2559 -36.2559 -35.9755 -35.9755 -35.9712 -35.9712 -35.9671 -35.9671 -35.9629 -35.9629 -28.8614 -28.8614 -11.7165 -11.7165 -10.6172 -10.6172 -10.5522 -10.5522 -3.5543 -3.5543 -3.4705 -3.4705 2.3260 2.3260 2.8637 2.8637 3.8324 3.8324 4.1682 4.1682 4.5017 4.5017 4.8250 4.8250 8.1312 8.1312 9.4071 9.4071 9.7588 9.7588 10.3054 10.3054 k = 0.4167 0.4330-0.0000 ( 6474 PWs) bands (ev): -69.3153 -69.3153 -69.3148 -69.3148 -36.2582 -36.2582 -36.2560 -36.2560 -35.9755 -35.9755 -35.9710 -35.9710 -35.9672 -35.9672 -35.9629 -35.9629 -28.8613 -28.8613 -11.7167 -11.7167 -10.6164 -10.6164 -10.5539 -10.5539 -3.5488 -3.5488 -3.4672 -3.4672 2.3534 2.3534 2.8558 2.8558 3.7451 3.7451 4.1818 4.1818 4.5066 4.5066 4.7931 4.7931 8.2514 8.2514 9.3959 9.3959 9.8035 9.8035 10.2514 10.2514 k = 0.4097 0.4450-0.0000 ( 6468 PWs) bands (ev): -69.3153 -69.3153 -69.3148 -69.3148 -36.2582 -36.2582 -36.2561 -36.2561 -35.9755 -35.9755 -35.9709 -35.9709 -35.9673 -35.9673 -35.9629 -35.9629 -28.8612 -28.8612 -11.7169 -11.7169 -10.6157 -10.6157 -10.5556 -10.5556 -3.5429 -3.5429 -3.4641 -3.4641 2.3830 2.3830 2.8475 2.8475 3.6578 3.6578 4.1971 4.1971 4.5110 4.5110 4.7616 4.7616 8.3693 8.3693 9.3835 9.3835 9.8451 9.8451 10.2080 10.2080 k = 0.4028 0.4571-0.0000 ( 6464 PWs) bands (ev): -69.3153 -69.3153 -69.3148 -69.3148 -36.2581 -36.2581 -36.2561 -36.2561 -35.9756 -35.9756 -35.9708 -35.9708 -35.9675 -35.9675 -35.9628 -35.9628 -28.8612 -28.8612 -11.7172 -11.7172 -10.6149 -10.6149 -10.5573 -10.5573 -3.5368 -3.5368 -3.4613 -3.4613 2.4147 2.4147 2.8388 2.8388 3.5715 3.5715 4.2140 4.2140 4.5145 4.5145 4.7308 4.7308 8.4823 8.4823 9.3720 9.3720 9.8832 9.8832 10.1753 10.1753 k = 0.3958 0.4691-0.0000 ( 6458 PWs) bands (ev): -69.3153 -69.3153 -69.3148 -69.3148 -36.2580 -36.2580 -36.2562 -36.2562 -35.9756 -35.9756 -35.9706 -35.9706 -35.9676 -35.9676 -35.9628 -35.9628 -28.8611 -28.8611 -11.7174 -11.7174 -10.6142 -10.6142 -10.5589 -10.5589 -3.5304 -3.5304 -3.4588 -3.4588 2.4483 2.4483 2.8299 2.8299 3.4871 3.4871 4.2324 4.2324 4.5169 4.5169 4.7011 4.7011 8.5866 8.5866 9.3650 9.3650 9.9176 9.9176 10.1528 10.1528 k = 0.3889 0.4811-0.0000 ( 6462 PWs) bands (ev): -69.3152 -69.3152 -69.3149 -69.3149 -36.2579 -36.2579 -36.2563 -36.2563 -35.9757 -35.9757 -35.9705 -35.9705 -35.9677 -35.9677 -35.9628 -35.9628 -28.8611 -28.8611 -11.7176 -11.7176 -10.6136 -10.6136 -10.5605 -10.5605 -3.5239 -3.5239 -3.4567 -3.4567 2.4836 2.4836 2.8209 2.8209 3.4053 3.4053 4.2521 4.2521 4.5176 4.5176 4.6730 4.6730 8.6776 8.6776 9.3677 9.3677 9.9484 9.9484 10.1394 10.1394 k = 0.3819 0.4932-0.0000 ( 6464 PWs) bands (ev): -69.3152 -69.3152 -69.3149 -69.3149 -36.2579 -36.2579 -36.2564 -36.2564 -35.9757 -35.9757 -35.9703 -35.9703 -35.9679 -35.9679 -35.9628 -35.9628 -28.8610 -28.8610 -11.7178 -11.7178 -10.6129 -10.6129 -10.5619 -10.5619 -3.5172 -3.5172 -3.4552 -3.4552 2.5205 2.5205 2.8120 2.8120 3.3267 3.3267 4.2732 4.2732 4.5164 4.5164 4.6467 4.6467 8.7500 8.7500 9.3860 9.3860 9.9760 9.9760 10.1337 10.1337 k = 0.3750 0.5052-0.0000 ( 6472 PWs) bands (ev): -69.3152 -69.3152 -69.3149 -69.3149 -36.2578 -36.2578 -36.2565 -36.2565 -35.9757 -35.9757 -35.9702 -35.9702 -35.9680 -35.9680 -35.9628 -35.9628 -28.8610 -28.8610 -11.7180 -11.7180 -10.6124 -10.6124 -10.5632 -10.5632 -3.5105 -3.5105 -3.4544 -3.4544 2.5587 2.5587 2.8034 2.8034 3.2519 3.2519 4.2956 4.2956 4.5130 4.5130 4.6224 4.6224 8.8002 8.8002 9.4239 9.4239 10.0006 10.0006 10.1338 10.1338 k = 0.3681 0.5172-0.0000 ( 6460 PWs) bands (ev): -69.3152 -69.3152 -69.3149 -69.3149 -36.2577 -36.2577 -36.2566 -36.2566 -35.9757 -35.9757 -35.9700 -35.9700 -35.9681 -35.9681 -35.9627 -35.9627 -28.8609 -28.8609 -11.7182 -11.7182 -10.6119 -10.6119 -10.5643 -10.5643 -3.5037 -3.5037 -3.4543 -3.4543 2.5977 2.5977 2.7955 2.7955 3.1815 3.1815 4.3192 4.3192 4.5074 4.5074 4.6003 4.6003 8.8291 8.8291 9.4813 9.4813 10.0221 10.0221 10.1367 10.1367 k = 0.3611 0.5292-0.0000 ( 6466 PWs) bands (ev): -69.3152 -69.3152 -69.3150 -69.3150 -36.2576 -36.2576 -36.2567 -36.2567 -35.9758 -35.9758 -35.9699 -35.9699 -35.9683 -35.9683 -35.9627 -35.9627 -28.8609 -28.8609 -11.7184 -11.7184 -10.6116 -10.6116 -10.5653 -10.5653 -3.4969 -3.4969 -3.4551 -3.4551 2.6366 2.6366 2.7888 2.7888 3.1165 3.1165 4.3437 4.3437 4.4995 4.4995 4.5803 4.5803 8.8416 8.8416 9.5530 9.5530 10.0384 10.0384 10.1320 10.1320 k = 0.3542 0.5413-0.0000 ( 6462 PWs) bands (ev): -69.3151 -69.3151 -69.3150 -69.3150 -36.2575 -36.2575 -36.2568 -36.2568 -35.9758 -35.9758 -35.9698 -35.9698 -35.9684 -35.9684 -35.9627 -35.9627 -28.8609 -28.8609 -11.7185 -11.7185 -10.6113 -10.6113 -10.5660 -10.5660 -3.4903 -3.4903 -3.4569 -3.4569 2.6736 2.6736 2.7842 2.7842 3.0580 3.0580 4.3689 4.3689 4.4895 4.4895 4.5625 4.5625 8.8443 8.8443 9.6323 9.6323 10.0355 10.0355 10.1082 10.1082 k = 0.3472 0.5533-0.0000 ( 6468 PWs) bands (ev): -69.3151 -69.3151 -69.3150 -69.3150 -36.2574 -36.2574 -36.2569 -36.2569 -35.9758 -35.9758 -35.9697 -35.9697 -35.9685 -35.9685 -35.9627 -35.9627 -28.8608 -28.8608 -11.7186 -11.7186 -10.6111 -10.6111 -10.5666 -10.5666 -3.4838 -3.4838 -3.4597 -3.4597 2.7048 2.7048 2.7838 2.7838 3.0082 3.0082 4.3942 4.3942 4.4778 4.4778 4.5471 4.5471 8.8424 8.8424 9.7130 9.7130 9.9903 9.9903 10.1085 10.1085 k = 0.3403 0.5653-0.0000 ( 6468 PWs) bands (ev): -69.3151 -69.3151 -69.3150 -69.3150 -36.2572 -36.2572 -36.2570 -36.2570 -35.9758 -35.9758 -35.9696 -35.9696 -35.9686 -35.9686 -35.9627 -35.9627 -28.8608 -28.8608 -11.7187 -11.7187 -10.6110 -10.6110 -10.5669 -10.5669 -3.4778 -3.4778 -3.4634 -3.4634 2.7236 2.7236 2.7895 2.7895 2.9720 2.9720 4.4174 4.4174 4.4652 4.4652 4.5354 4.5354 8.8396 8.8396 9.7901 9.7901 9.9279 9.9279 10.1225 10.1225 k = 0.3333 0.5774-0.0000 ( 6456 PWs) bands (ev): -69.3151 -69.3151 -69.3151 -69.3151 -36.2572 -36.2572 -36.2571 -36.2571 -35.9758 -35.9758 -35.9696 -35.9696 -35.9686 -35.9686 -35.9627 -35.9627 -28.8608 -28.8608 -11.7187 -11.7187 -10.6110 -10.6110 -10.5670 -10.5670 -3.4743 -3.4743 -3.4661 -3.4661 2.7288 2.7288 2.7944 2.7944 2.9581 2.9581 4.4299 4.4299 4.4574 4.4574 4.5304 4.5304 8.8384 8.8384 9.8506 9.8506 9.8721 9.8721 10.1321 10.1321 k = 0.3333 0.5774-0.0000 ( 6456 PWs) bands (ev): -69.3151 -69.3151 -69.3151 -69.3151 -36.2572 -36.2572 -36.2571 -36.2571 -35.9758 -35.9758 -35.9696 -35.9696 -35.9686 -35.9686 -35.9627 -35.9627 -28.8608 -28.8608 -11.7187 -11.7187 -10.6110 -10.6110 -10.5670 -10.5670 -3.4743 -3.4743 -3.4661 -3.4661 2.7288 2.7288 2.7944 2.7944 2.9581 2.9581 4.4299 4.4299 4.4574 4.4574 4.5304 4.5304 8.8384 8.8384 9.8506 9.8506 9.8721 9.8721 10.1321 10.1321 k = 0.3264 0.5653-0.0000 ( 6462 PWs) bands (ev): -69.3151 -69.3151 -69.3150 -69.3150 -36.2572 -36.2572 -36.2570 -36.2570 -35.9758 -35.9758 -35.9696 -35.9696 -35.9686 -35.9686 -35.9627 -35.9627 -28.8608 -28.8608 -11.7187 -11.7187 -10.6110 -10.6110 -10.5669 -10.5669 -3.4783 -3.4783 -3.4629 -3.4629 2.7251 2.7251 2.7887 2.7887 2.9715 2.9715 4.4183 4.4183 4.4626 4.4626 4.5371 4.5371 8.8400 8.8400 9.7948 9.7948 9.9229 9.9229 10.1162 10.1162 k = 0.3194 0.5533-0.0000 ( 6462 PWs) bands (ev): -69.3151 -69.3151 -69.3150 -69.3150 -36.2574 -36.2574 -36.2569 -36.2569 -35.9758 -35.9758 -35.9697 -35.9697 -35.9685 -35.9685 -35.9627 -35.9627 -28.8608 -28.8608 -11.7186 -11.7186 -10.6111 -10.6111 -10.5666 -10.5666 -3.4861 -3.4861 -3.4577 -3.4577 2.7147 2.7147 2.7781 2.7781 3.0044 3.0044 4.3962 4.3962 4.4663 4.4663 4.5569 4.5569 8.8453 8.8453 9.7305 9.7305 9.9702 9.9702 10.0787 10.0787 k = 0.3125 0.5413-0.0000 ( 6460 PWs) bands (ev): -69.3151 -69.3151 -69.3150 -69.3150 -36.2575 -36.2575 -36.2568 -36.2568 -35.9758 -35.9758 -35.9698 -35.9698 -35.9684 -35.9684 -35.9627 -35.9627 -28.8609 -28.8609 -11.7185 -11.7185 -10.6111 -10.6111 -10.5662 -10.5662 -3.4958 -3.4958 -3.4525 -3.4525 2.6989 2.6989 2.7714 2.7714 3.0471 3.0471 4.3698 4.3698 4.4671 4.4671 4.5850 4.5850 8.8546 8.8546 9.6671 9.6671 9.9884 9.9884 10.0483 10.0483 k = 0.3056 0.5292-0.0000 ( 6456 PWs) bands (ev): -69.3152 -69.3152 -69.3149 -69.3149 -36.2576 -36.2576 -36.2566 -36.2566 -35.9757 -35.9757 -35.9699 -35.9699 -35.9683 -35.9683 -35.9627 -35.9627 -28.8609 -28.8609 -11.7183 -11.7183 -10.6111 -10.6111 -10.5656 -10.5656 -3.5071 -3.5071 -3.4475 -3.4475 2.6809 2.6809 2.7700 2.7700 3.0946 3.0946 4.3403 4.3403 4.4680 4.4680 4.6175 4.6175 8.8678 8.8678 9.6051 9.6051 9.9478 9.9478 10.0620 10.0620 k = 0.2986 0.5172-0.0000 ( 6464 PWs) bands (ev): -69.3152 -69.3152 -69.3149 -69.3149 -36.2577 -36.2577 -36.2565 -36.2565 -35.9757 -35.9757 -35.9701 -35.9701 -35.9681 -35.9681 -35.9627 -35.9627 -28.8610 -28.8610 -11.7180 -11.7180 -10.6110 -10.6110 -10.5649 -10.5649 -3.5201 -3.5201 -3.4429 -3.4429 2.6642 2.6642 2.7731 2.7731 3.1443 3.1443 4.3086 4.3086 4.4704 4.4704 4.6526 4.6526 8.8843 8.8843 9.5446 9.5446 9.8903 9.8903 10.0826 10.0826 k = 0.2917 0.5052-0.0000 ( 6472 PWs) bands (ev): -69.3152 -69.3152 -69.3149 -69.3149 -36.2579 -36.2579 -36.2564 -36.2564 -35.9757 -35.9757 -35.9702 -35.9702 -35.9680 -35.9680 -35.9628 -35.9628 -28.8610 -28.8610 -11.7176 -11.7176 -10.6109 -10.6109 -10.5641 -10.5641 -3.5346 -3.5346 -3.4386 -3.4386 2.6508 2.6508 2.7796 2.7796 3.1949 3.1949 4.2756 4.2756 4.4748 4.4748 4.6895 4.6895 8.9033 8.9033 9.4858 9.4858 9.8319 9.8319 10.0981 10.0981 k = 0.2847 0.4932-0.0000 ( 6480 PWs) bands (ev): -69.3153 -69.3153 -69.3149 -69.3149 -36.2580 -36.2580 -36.2563 -36.2563 -35.9757 -35.9757 -35.9704 -35.9704 -35.9679 -35.9679 -35.9628 -35.9628 -28.8611 -28.8611 -11.7172 -11.7172 -10.6106 -10.6106 -10.5633 -10.5633 -3.5508 -3.5508 -3.4349 -3.4349 2.6415 2.6415 2.7893 2.7893 3.2453 3.2453 4.2420 4.2420 4.4814 4.4814 4.7278 4.7278 8.9236 8.9236 9.4287 9.4287 9.7766 9.7766 10.1076 10.1076 k = 0.2778 0.4811-0.0000 ( 6468 PWs) bands (ev): -69.3153 -69.3153 -69.3148 -69.3148 -36.2581 -36.2581 -36.2561 -36.2561 -35.9757 -35.9757 -35.9705 -35.9705 -35.9677 -35.9677 -35.9628 -35.9628 -28.8612 -28.8612 -11.7167 -11.7167 -10.6102 -10.6102 -10.5624 -10.5624 -3.5686 -3.5686 -3.4316 -3.4316 2.6368 2.6368 2.8022 2.8022 3.2945 3.2945 4.2091 4.2091 4.4904 4.4904 4.7674 4.7674 8.9434 8.9434 9.3734 9.3734 9.7268 9.7268 10.1113 10.1113 k = 0.2708 0.4691-0.0000 ( 6456 PWs) bands (ev): -69.3153 -69.3153 -69.3148 -69.3148 -36.2582 -36.2582 -36.2560 -36.2560 -35.9756 -35.9756 -35.9706 -35.9706 -35.9676 -35.9676 -35.9628 -35.9628 -28.8613 -28.8613 -11.7161 -11.7161 -10.6097 -10.6097 -10.5614 -10.5614 -3.5880 -3.5880 -3.4288 -3.4288 2.6368 2.6368 2.8181 2.8181 3.3413 3.3413 4.1780 4.1780 4.5016 4.5016 4.8080 4.8080 8.9605 8.9605 9.3201 9.3201 9.6851 9.6851 10.1097 10.1097 k = 0.2639 0.4571-0.0000 ( 6442 PWs) bands (ev): -69.3153 -69.3153 -69.3148 -69.3148 -36.2584 -36.2584 -36.2558 -36.2558 -35.9756 -35.9756 -35.9708 -35.9708 -35.9674 -35.9674 -35.9628 -35.9628 -28.8614 -28.8614 -11.7155 -11.7155 -10.6090 -10.6090 -10.5604 -10.5604 -3.6088 -3.6088 -3.4265 -3.4265 2.6415 2.6415 2.8372 2.8372 3.3843 3.3843 4.1504 4.1504 4.5152 4.5152 4.8495 4.8495 8.9724 8.9724 9.2687 9.2687 9.6536 9.6536 10.1033 10.1033 k = 0.2569 0.4450-0.0000 ( 6442 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2585 -36.2585 -36.2557 -36.2557 -35.9755 -35.9755 -35.9709 -35.9709 -35.9673 -35.9673 -35.9628 -35.9628 -28.8615 -28.8615 -11.7147 -11.7147 -10.6081 -10.6081 -10.5594 -10.5594 -3.6311 -3.6311 -3.4247 -3.4247 2.6507 2.6507 2.8594 2.8594 3.4221 3.4221 4.1284 4.1284 4.5312 4.5312 4.8918 4.8918 8.9769 8.9769 9.2195 9.2195 9.6339 9.6339 10.0929 10.0929 k = 0.2500 0.4330-0.0000 ( 6442 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2586 -36.2586 -36.2555 -36.2555 -35.9755 -35.9755 -35.9711 -35.9711 -35.9671 -35.9671 -35.9629 -35.9629 -28.8617 -28.8617 -11.7139 -11.7139 -10.6071 -10.6071 -10.5584 -10.5584 -3.6548 -3.6548 -3.4235 -3.4235 2.6640 2.6640 2.8849 2.8849 3.4529 3.4529 4.1138 4.1138 4.5495 4.5495 4.9348 4.9348 8.9724 8.9724 9.1724 9.1724 9.6265 9.6265 10.0797 10.0797 k = 0.2431 0.4210-0.0000 ( 6438 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2587 -36.2587 -36.2554 -36.2554 -35.9754 -35.9754 -35.9712 -35.9712 -35.9670 -35.9670 -35.9629 -35.9629 -28.8619 -28.8619 -11.7130 -11.7130 -10.6059 -10.6059 -10.5574 -10.5574 -3.6797 -3.6797 -3.4228 -3.4228 2.6810 2.6810 2.9138 2.9138 3.4752 3.4752 4.1089 4.1089 4.5700 4.5700 4.9783 4.9783 8.9589 8.9589 9.1276 9.1276 9.6299 9.6299 10.0651 10.0651 k = 0.2361 0.4090-0.0000 ( 6442 PWs) bands (ev): -69.3155 -69.3155 -69.3146 -69.3146 -36.2589 -36.2589 -36.2552 -36.2552 -35.9754 -35.9754 -35.9713 -35.9713 -35.9668 -35.9668 -35.9629 -35.9629 -28.8620 -28.8620 -11.7120 -11.7120 -10.6045 -10.6045 -10.5563 -10.5563 -3.7058 -3.7058 -3.4227 -3.4227 2.7010 2.7010 2.9459 2.9459 3.4886 3.4886 4.1148 4.1148 4.5929 4.5929 5.0223 5.0223 8.9377 8.9377 9.0851 9.0851 9.6402 9.6402 10.0512 10.0512 k = 0.2292 0.3969-0.0000 ( 6440 PWs) bands (ev): -69.3155 -69.3155 -69.3146 -69.3146 -36.2590 -36.2590 -36.2551 -36.2551 -35.9753 -35.9753 -35.9715 -35.9715 -35.9667 -35.9667 -35.9630 -35.9630 -28.8622 -28.8622 -11.7109 -11.7109 -10.6030 -10.6030 -10.5553 -10.5553 -3.7330 -3.7330 -3.4230 -3.4230 2.7230 2.7230 2.9815 2.9815 3.4937 3.4937 4.1318 4.1318 4.6180 4.6180 5.0666 5.0666 8.9108 8.9108 9.0449 9.0449 9.6522 9.6522 10.0408 10.0408 k = 0.2222 0.3849-0.0000 ( 6440 PWs) bands (ev): -69.3155 -69.3155 -69.3146 -69.3146 -36.2591 -36.2591 -36.2550 -36.2550 -35.9753 -35.9753 -35.9716 -35.9716 -35.9666 -35.9666 -35.9630 -35.9630 -28.8624 -28.8624 -11.7098 -11.7098 -10.6014 -10.6014 -10.5543 -10.5543 -3.7611 -3.7611 -3.4239 -3.4239 2.7459 2.7459 3.0204 3.0204 3.4928 3.4928 4.1586 4.1586 4.6454 4.6454 5.1110 5.1110 8.8804 8.8804 9.0071 9.0071 9.6599 9.6599 10.0372 10.0372 k = 0.2153 0.3729-0.0000 ( 6436 PWs) bands (ev): -69.3156 -69.3156 -69.3145 -69.3145 -36.2592 -36.2592 -36.2548 -36.2548 -35.9752 -35.9752 -35.9717 -35.9717 -35.9664 -35.9664 -35.9631 -35.9631 -28.8626 -28.8626 -11.7086 -11.7086 -10.5995 -10.5995 -10.5532 -10.5532 -3.7901 -3.7901 -3.4252 -3.4252 2.7680 2.7680 3.0627 3.0627 3.4892 3.4892 4.1936 4.1936 4.6749 4.6749 5.1555 5.1555 8.8482 8.8482 8.9719 8.9719 9.6583 9.6583 10.0426 10.0426 k = 0.2083 0.3608-0.0000 ( 6426 PWs) bands (ev): -69.3156 -69.3156 -69.3145 -69.3145 -36.2593 -36.2593 -36.2547 -36.2547 -35.9751 -35.9751 -35.9718 -35.9718 -35.9663 -35.9663 -35.9631 -35.9631 -28.8628 -28.8628 -11.7073 -11.7073 -10.5976 -10.5976 -10.5521 -10.5521 -3.8197 -3.8197 -3.4271 -3.4271 2.7875 2.7875 3.1084 3.1084 3.4869 3.4869 4.2347 4.2347 4.7065 4.7065 5.1999 5.1999 8.8157 8.8157 8.9393 8.9393 9.6449 9.6449 10.0565 10.0565 k = 0.2014 0.3488-0.0000 ( 6418 PWs) bands (ev): -69.3156 -69.3156 -69.3145 -69.3145 -36.2594 -36.2594 -36.2545 -36.2545 -35.9751 -35.9751 -35.9719 -35.9719 -35.9662 -35.9662 -35.9631 -35.9631 -28.8631 -28.8631 -11.7060 -11.7060 -10.5956 -10.5956 -10.5510 -10.5510 -3.8500 -3.8500 -3.4293 -3.4293 2.8020 2.8020 3.1575 3.1575 3.4896 3.4896 4.2801 4.2801 4.7402 4.7402 5.2441 5.2441 8.7837 8.7837 8.9094 8.9094 9.6206 9.6206 10.0756 10.0756 k = 0.1944 0.3368-0.0000 ( 6416 PWs) bands (ev): -69.3156 -69.3156 -69.3144 -69.3144 -36.2596 -36.2596 -36.2544 -36.2544 -35.9750 -35.9750 -35.9721 -35.9721 -35.9661 -35.9661 -35.9632 -35.9632 -28.8633 -28.8633 -11.7046 -11.7046 -10.5934 -10.5934 -10.5498 -10.5498 -3.8806 -3.8806 -3.4320 -3.4320 2.8096 2.8096 3.2100 3.2100 3.5007 3.5007 4.3283 4.3283 4.7759 4.7759 5.2879 5.2879 8.7531 8.7531 8.8824 8.8824 9.5877 9.5877 10.0952 10.0952 k = 0.1875 0.3248-0.0000 ( 6426 PWs) bands (ev): -69.3157 -69.3157 -69.3144 -69.3144 -36.2597 -36.2597 -36.2543 -36.2543 -35.9750 -35.9750 -35.9722 -35.9722 -35.9660 -35.9660 -35.9632 -35.9632 -28.8635 -28.8635 -11.7031 -11.7031 -10.5912 -10.5912 -10.5486 -10.5486 -3.9116 -3.9116 -3.4350 -3.4350 2.8088 2.8088 3.2658 3.2658 3.5226 3.5226 4.3780 4.3780 4.8135 4.8135 5.3311 5.3311 8.7242 8.7242 8.8583 8.8583 9.5485 9.5485 10.1109 10.1109 k = 0.1806 0.3127-0.0000 ( 6428 PWs) bands (ev): -69.3157 -69.3157 -69.3144 -69.3144 -36.2598 -36.2598 -36.2541 -36.2541 -35.9749 -35.9749 -35.9723 -35.9723 -35.9659 -35.9659 -35.9633 -35.9633 -28.8638 -28.8638 -11.7017 -11.7017 -10.5890 -10.5890 -10.5473 -10.5473 -3.9427 -3.9427 -3.4384 -3.4384 2.7992 2.7992 3.3249 3.3249 3.5564 3.5564 4.4284 4.4284 4.8530 4.8530 5.3737 5.3737 8.6972 8.6972 8.8372 8.8372 9.5054 9.5054 10.1198 10.1198 k = 0.1736 0.3007-0.0000 ( 6430 PWs) bands (ev): -69.3157 -69.3157 -69.3143 -69.3143 -36.2599 -36.2599 -36.2540 -36.2540 -35.9748 -35.9748 -35.9724 -35.9724 -35.9658 -35.9658 -35.9633 -35.9633 -28.8641 -28.8641 -11.7002 -11.7002 -10.5868 -10.5868 -10.5460 -10.5460 -3.9739 -3.9739 -3.4421 -3.4421 2.7816 2.7816 3.3871 3.3871 3.6021 3.6021 4.4788 4.4788 4.8942 4.8942 5.4154 5.4154 8.6721 8.6721 8.8191 8.8191 9.4598 9.4598 10.1205 10.1205 k = 0.1667 0.2887-0.0000 ( 6422 PWs) bands (ev): -69.3158 -69.3158 -69.3143 -69.3143 -36.2600 -36.2600 -36.2539 -36.2539 -35.9748 -35.9748 -35.9725 -35.9725 -35.9657 -35.9657 -35.9634 -35.9634 -28.8643 -28.8643 -11.6986 -11.6986 -10.5846 -10.5846 -10.5445 -10.5445 -4.0049 -4.0049 -3.4461 -3.4461 2.7571 2.7571 3.4524 3.4524 3.6586 3.6586 4.5285 4.5285 4.9371 4.9371 5.4561 5.4561 8.6489 8.6489 8.8039 8.8039 9.4132 9.4132 10.1129 10.1129 k = 0.1597 0.2766-0.0000 ( 6422 PWs) bands (ev): -69.3158 -69.3158 -69.3143 -69.3143 -36.2601 -36.2601 -36.2538 -36.2538 -35.9747 -35.9747 -35.9726 -35.9726 -35.9656 -35.9656 -35.9634 -35.9634 -28.8646 -28.8646 -11.6971 -11.6971 -10.5825 -10.5825 -10.5428 -10.5428 -4.0358 -4.0358 -3.4503 -3.4503 2.7274 2.7274 3.5207 3.5207 3.7248 3.7248 4.5770 4.5770 4.9815 4.9815 5.4957 5.4957 8.6270 8.6270 8.7916 8.7916 9.3667 9.3667 10.0981 10.0981 k = 0.1528 0.2646-0.0000 ( 6434 PWs) bands (ev): -69.3158 -69.3158 -69.3143 -69.3143 -36.2602 -36.2602 -36.2537 -36.2537 -35.9747 -35.9747 -35.9727 -35.9727 -35.9655 -35.9655 -35.9634 -35.9634 -28.8649 -28.8649 -11.6955 -11.6955 -10.5805 -10.5805 -10.5411 -10.5411 -4.0662 -4.0662 -3.4547 -3.4547 2.6939 2.6939 3.5916 3.5916 3.7994 3.7994 4.6241 4.6241 5.0273 5.0273 5.5340 5.5340 8.6060 8.6060 8.7820 8.7820 9.3215 9.3215 10.0779 10.0779 k = 0.1458 0.2526-0.0000 ( 6444 PWs) bands (ev): -69.3159 -69.3159 -69.3142 -69.3142 -36.2603 -36.2603 -36.2535 -36.2535 -35.9746 -35.9746 -35.9728 -35.9728 -35.9654 -35.9654 -35.9635 -35.9635 -28.8651 -28.8651 -11.6940 -11.6940 -10.5787 -10.5787 -10.5391 -10.5391 -4.0962 -4.0962 -3.4593 -3.4593 2.6578 2.6578 3.6651 3.6651 3.8812 3.8812 4.6694 4.6694 5.0744 5.0744 5.5710 5.5710 8.5851 8.5851 8.7748 8.7748 9.2785 9.2785 10.0540 10.0540 k = 0.1389 0.2406-0.0000 ( 6440 PWs) bands (ev): -69.3159 -69.3159 -69.3142 -69.3142 -36.2604 -36.2604 -36.2534 -36.2534 -35.9745 -35.9745 -35.9728 -35.9728 -35.9654 -35.9654 -35.9635 -35.9635 -28.8654 -28.8654 -11.6924 -11.6924 -10.5769 -10.5769 -10.5370 -10.5370 -4.1256 -4.1256 -3.4639 -3.4639 2.6202 2.6202 3.7408 3.7408 3.9692 3.9692 4.7127 4.7127 5.1224 5.1224 5.6065 5.6065 8.5634 8.5634 8.7696 8.7696 9.2387 9.2387 10.0280 10.0280 k = 0.1319 0.2285-0.0000 ( 6436 PWs) bands (ev): -69.3159 -69.3159 -69.3142 -69.3142 -36.2605 -36.2605 -36.2533 -36.2533 -35.9745 -35.9745 -35.9729 -35.9729 -35.9653 -35.9653 -35.9635 -35.9635 -28.8657 -28.8657 -11.6909 -11.6909 -10.5754 -10.5754 -10.5347 -10.5347 -4.1543 -4.1543 -3.4687 -3.4687 2.5818 2.5818 3.8187 3.8187 4.0626 4.0626 4.7538 4.7538 5.1714 5.1714 5.6405 5.6405 8.5399 8.5399 8.7661 8.7661 9.2031 9.2031 10.0012 10.0012 k = 0.1250 0.2165-0.0000 ( 6434 PWs) bands (ev): -69.3159 -69.3159 -69.3142 -69.3142 -36.2606 -36.2606 -36.2532 -36.2532 -35.9744 -35.9744 -35.9730 -35.9730 -35.9652 -35.9652 -35.9636 -35.9636 -28.8659 -28.8659 -11.6894 -11.6894 -10.5740 -10.5740 -10.5323 -10.5323 -4.1822 -4.1822 -3.4735 -3.4735 2.5434 2.5434 3.8984 3.8984 4.1607 4.1607 4.7928 4.7928 5.2210 5.2210 5.6728 5.6728 8.5135 8.5135 8.7633 8.7633 9.1721 9.1721 9.9748 9.9748 k = 0.1181 0.2045-0.0000 ( 6428 PWs) bands (ev): -69.3159 -69.3159 -69.3141 -69.3141 -36.2606 -36.2606 -36.2531 -36.2531 -35.9744 -35.9744 -35.9730 -35.9730 -35.9652 -35.9652 -35.9636 -35.9636 -28.8662 -28.8662 -11.6880 -11.6880 -10.5728 -10.5728 -10.5297 -10.5297 -4.2092 -4.2092 -3.4782 -3.4782 2.5053 2.5053 3.9797 3.9797 4.2627 4.2627 4.8295 4.8295 5.2711 5.2711 5.7036 5.7036 8.4833 8.4833 8.7606 8.7606 9.1462 9.1462 9.9496 9.9496 k = 0.1111 0.1925-0.0000 ( 6432 PWs) bands (ev): -69.3160 -69.3160 -69.3141 -69.3141 -36.2607 -36.2607 -36.2530 -36.2530 -35.9744 -35.9744 -35.9731 -35.9731 -35.9651 -35.9651 -35.9636 -35.9636 -28.8664 -28.8664 -11.6865 -11.6865 -10.5718 -10.5718 -10.5271 -10.5271 -4.2351 -4.2351 -3.4829 -3.4829 2.4681 2.4681 4.0621 4.0621 4.3678 4.3678 4.8642 4.8642 5.3212 5.3212 5.7327 5.7327 8.4485 8.4485 8.7567 8.7567 9.1252 9.1252 9.9264 9.9264 k = 0.1042 0.1804-0.0000 ( 6428 PWs) bands (ev): -69.3160 -69.3160 -69.3141 -69.3141 -36.2608 -36.2608 -36.2529 -36.2529 -35.9743 -35.9743 -35.9731 -35.9731 -35.9651 -35.9651 -35.9636 -35.9636 -28.8667 -28.8667 -11.6852 -11.6852 -10.5709 -10.5709 -10.5243 -10.5243 -4.2600 -4.2600 -3.4876 -3.4876 2.4321 2.4321 4.1455 4.1455 4.4753 4.4753 4.8972 4.8972 5.3712 5.3712 5.7602 5.7602 8.4086 8.4086 8.7502 8.7502 9.1086 9.1086 9.9055 9.9055 k = 0.0972 0.1684-0.0000 ( 6438 PWs) bands (ev): -69.3160 -69.3160 -69.3141 -69.3141 -36.2609 -36.2609 -36.2528 -36.2528 -35.9743 -35.9743 -35.9732 -35.9732 -35.9651 -35.9651 -35.9636 -35.9636 -28.8669 -28.8669 -11.6839 -11.6839 -10.5702 -10.5702 -10.5216 -10.5216 -4.2836 -4.2836 -3.4921 -3.4921 2.3974 2.3974 4.2291 4.2291 4.5839 4.5839 4.9293 4.9293 5.4207 5.4207 5.7863 5.7863 8.3636 8.3636 8.7396 8.7396 9.0953 9.0953 9.8855 9.8855 k = 0.0903 0.1564-0.0000 ( 6445 PWs) bands (ev): -69.3160 -69.3160 -69.3141 -69.3141 -36.2609 -36.2609 -36.2527 -36.2527 -35.9743 -35.9743 -35.9732 -35.9732 -35.9651 -35.9651 -35.9636 -35.9636 -28.8672 -28.8672 -11.6826 -11.6826 -10.5696 -10.5696 -10.5188 -10.5188 -4.3060 -4.3060 -3.4964 -3.4964 2.3644 2.3644 4.3127 4.3127 4.6915 4.6915 4.9619 4.9619 5.4694 5.4694 5.8109 5.8109 8.3132 8.3132 8.7233 8.7233 9.0842 9.0842 9.8442 9.8442 k = 0.0833 0.1443-0.0000 ( 6455 PWs) bands (ev): -69.3160 -69.3160 -69.3141 -69.3141 -36.2610 -36.2610 -36.2527 -36.2527 -35.9743 -35.9743 -35.9732 -35.9732 -35.9651 -35.9651 -35.9636 -35.9636 -28.8674 -28.8674 -11.6814 -11.6814 -10.5691 -10.5691 -10.5161 -10.5161 -4.3270 -4.3270 -3.5006 -3.5006 2.3333 2.3333 4.3956 4.3956 4.7937 4.7937 4.9990 4.9990 5.5169 5.5169 5.8343 5.8343 8.2576 8.2576 8.6998 8.6998 9.0736 9.0736 9.7901 9.7901 k = 0.0764 0.1323-0.0000 ( 6443 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2611 -36.2611 -36.2526 -36.2526 -35.9742 -35.9742 -35.9732 -35.9732 -35.9650 -35.9650 -35.9636 -35.9636 -28.8676 -28.8676 -11.6803 -11.6803 -10.5687 -10.5687 -10.5135 -10.5135 -4.3466 -4.3466 -3.5045 -3.5045 2.3041 2.3041 4.4770 4.4770 4.8809 4.8809 5.0496 5.0496 5.5629 5.5629 5.8566 5.8566 8.1970 8.1970 8.6684 8.6684 9.0625 9.0625 9.7460 9.7460 k = 0.0694 0.1203-0.0000 ( 6435 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2611 -36.2611 -36.2525 -36.2525 -35.9742 -35.9742 -35.9732 -35.9732 -35.9650 -35.9650 -35.9636 -35.9636 -28.8678 -28.8678 -11.6793 -11.6793 -10.5683 -10.5683 -10.5110 -10.5110 -4.3648 -4.3648 -3.5083 -3.5083 2.2771 2.2771 4.5562 4.5562 4.9416 4.9416 5.1243 5.1243 5.6072 5.6072 5.8779 5.8779 8.1315 8.1315 8.6291 8.6291 9.0497 9.0497 9.7132 9.7132 k = 0.0625 0.1083-0.0000 ( 6433 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2611 -36.2611 -36.2524 -36.2524 -35.9742 -35.9742 -35.9733 -35.9733 -35.9650 -35.9650 -35.9636 -35.9636 -28.8679 -28.8679 -11.6784 -11.6784 -10.5681 -10.5681 -10.5086 -10.5086 -4.3813 -4.3813 -3.5117 -3.5117 2.2523 2.2523 4.6322 4.6322 4.9794 4.9794 5.2184 5.2184 5.6498 5.6498 5.8984 5.8984 8.0616 8.0616 8.5830 8.5830 9.0347 9.0347 9.6903 9.6903 k = 0.0556 0.0962-0.0000 ( 6437 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2612 -36.2612 -36.2524 -36.2524 -35.9742 -35.9742 -35.9733 -35.9733 -35.9650 -35.9650 -35.9636 -35.9636 -28.8681 -28.8681 -11.6775 -11.6775 -10.5678 -10.5678 -10.5064 -10.5064 -4.3963 -4.3963 -3.5148 -3.5148 2.2299 2.2299 4.7038 4.7038 5.0055 5.0055 5.3191 5.3191 5.6910 5.6910 5.9182 5.9182 7.9877 7.9877 8.5320 8.5320 9.0174 9.0174 9.6750 9.6750 k = 0.0486 0.0842-0.0000 ( 6443 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2612 -36.2612 -36.2523 -36.2523 -35.9742 -35.9742 -35.9733 -35.9733 -35.9650 -35.9650 -35.9636 -35.9636 -28.8682 -28.8682 -11.6768 -11.6768 -10.5677 -10.5677 -10.5044 -10.5044 -4.4096 -4.4096 -3.5176 -3.5176 2.2099 2.2099 4.7696 4.7696 5.0263 5.0263 5.4175 5.4175 5.7319 5.7319 5.9374 5.9374 7.9110 7.9110 8.4785 8.4785 8.9982 8.9982 9.6641 9.6641 k = 0.0417 0.0722-0.0000 ( 6441 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2613 -36.2613 -36.2523 -36.2523 -35.9742 -35.9742 -35.9733 -35.9733 -35.9650 -35.9650 -35.9636 -35.9636 -28.8684 -28.8684 -11.6761 -11.6761 -10.5675 -10.5675 -10.5026 -10.5026 -4.4213 -4.4213 -3.5201 -3.5201 2.1925 2.1925 4.8282 4.8282 5.0446 5.0446 5.5072 5.5072 5.7747 5.7747 5.9558 5.9558 7.8330 7.8330 8.4253 8.4253 8.9782 8.9782 9.6541 9.6541 k = 0.0347 0.0601-0.0000 ( 6439 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2613 -36.2613 -36.2523 -36.2523 -35.9742 -35.9742 -35.9733 -35.9733 -35.9650 -35.9650 -35.9636 -35.9636 -28.8685 -28.8685 -11.6755 -11.6755 -10.5674 -10.5674 -10.5011 -10.5011 -4.4312 -4.4312 -3.5223 -3.5223 2.1776 2.1776 4.8779 4.8779 5.0621 5.0621 5.5818 5.5818 5.8220 5.8220 5.9734 5.9734 7.7560 7.7560 8.3750 8.3750 8.9585 8.9585 9.6426 9.6426 k = 0.0278 0.0481-0.0000 ( 6435 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2613 -36.2613 -36.2522 -36.2522 -35.9742 -35.9742 -35.9732 -35.9732 -35.9650 -35.9650 -35.9635 -35.9635 -28.8686 -28.8686 -11.6751 -11.6751 -10.5674 -10.5674 -10.4998 -10.4998 -4.4393 -4.4393 -3.5240 -3.5240 2.1654 2.1654 4.9172 4.9172 5.0794 5.0794 5.6374 5.6374 5.8737 5.8737 5.9904 5.9904 7.6833 7.6833 8.3300 8.3300 8.9404 8.9404 9.6290 9.6290 k = 0.0208 0.0361-0.0000 ( 6451 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2613 -36.2613 -36.2522 -36.2522 -35.9742 -35.9742 -35.9733 -35.9733 -35.9650 -35.9650 -35.9635 -35.9635 -28.8686 -28.8686 -11.6747 -11.6747 -10.5673 -10.5673 -10.4987 -10.4987 -4.4457 -4.4457 -3.5254 -3.5254 2.1559 2.1559 4.9459 4.9459 5.0961 5.0961 5.6746 5.6746 5.9237 5.9237 6.0078 6.0078 7.6188 7.6188 8.2926 8.2926 8.9250 8.9250 9.6139 9.6139 k = 0.0139 0.0241-0.0000 ( 6449 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2614 -36.2614 -36.2522 -36.2522 -35.9742 -35.9742 -35.9733 -35.9733 -35.9650 -35.9650 -35.9635 -35.9635 -28.8687 -28.8687 -11.6744 -11.6744 -10.5673 -10.5673 -10.4980 -10.4980 -4.4502 -4.4502 -3.5264 -3.5264 2.1490 2.1490 4.9646 4.9646 5.1105 5.1105 5.6975 5.6975 5.9612 5.9612 6.0275 6.0275 7.5674 7.5674 8.2645 8.2645 8.9134 8.9134 9.5999 9.5999 k = 0.0069 0.0120-0.0000 ( 6441 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2613 -36.2613 -36.2522 -36.2522 -35.9742 -35.9742 -35.9732 -35.9732 -35.9650 -35.9650 -35.9635 -35.9635 -28.8687 -28.8687 -11.6743 -11.6743 -10.5672 -10.5672 -10.4976 -10.4976 -4.4530 -4.4530 -3.5270 -3.5270 2.1449 2.1449 4.9750 4.9750 5.1203 5.1203 5.7099 5.7099 5.9807 5.9807 6.0463 6.0463 7.5339 7.5339 8.2471 8.2471 8.9061 8.9061 9.5907 9.5907 k = 0.0000 0.0000 0.0000 ( 6437 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2613 -36.2613 -36.2522 -36.2522 -35.9742 -35.9742 -35.9732 -35.9732 -35.9650 -35.9650 -35.9635 -35.9635 -28.8687 -28.8687 -11.6742 -11.6742 -10.5672 -10.5672 -10.4974 -10.4974 -4.4539 -4.4539 -3.5272 -3.5272 2.1435 2.1435 4.9783 4.9783 5.1238 5.1238 5.7138 5.7138 5.9862 5.9862 6.0543 6.0543 7.5223 7.5223 8.2412 8.2412 8.9037 8.9037 9.5875 9.5875 k = 0.0000 0.0000 0.0000 ( 6437 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2613 -36.2613 -36.2522 -36.2522 -35.9742 -35.9742 -35.9732 -35.9732 -35.9650 -35.9650 -35.9635 -35.9635 -28.8687 -28.8687 -11.6742 -11.6742 -10.5672 -10.5672 -10.4974 -10.4974 -4.4539 -4.4539 -3.5272 -3.5272 2.1435 2.1435 4.9783 4.9783 5.1238 5.1238 5.7138 5.7138 5.9862 5.9862 6.0543 6.0543 7.5223 7.5223 8.2412 8.2412 8.9037 8.9037 9.5875 9.5875 k = 0.0000 0.0000 0.0135 ( 6431 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2613 -36.2613 -36.2522 -36.2522 -35.9742 -35.9742 -35.9732 -35.9732 -35.9650 -35.9650 -35.9635 -35.9635 -28.8687 -28.8687 -11.6742 -11.6742 -10.5672 -10.5672 -10.4974 -10.4974 -4.4530 -4.4530 -3.5285 -3.5285 2.1465 2.1465 4.9791 4.9791 5.1247 5.1247 5.7064 5.7064 5.9789 5.9789 6.0526 6.0526 7.5348 7.5348 8.2406 8.2406 8.9068 8.9068 9.5863 9.5863 k = 0.0000 0.0000 0.0271 ( 6443 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2614 -36.2614 -36.2522 -36.2522 -35.9742 -35.9742 -35.9733 -35.9733 -35.9650 -35.9650 -35.9635 -35.9635 -28.8687 -28.8687 -11.6742 -11.6742 -10.5673 -10.5673 -10.4974 -10.4974 -4.4504 -4.4504 -3.5324 -3.5324 2.1555 2.1555 4.9817 4.9817 5.1273 5.1273 5.6835 5.6835 5.9590 5.9590 6.0474 6.0474 7.5711 7.5711 8.2387 8.2387 8.9163 8.9163 9.5824 9.5824 k = 0.0000 0.0000 0.0406 ( 6443 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2614 -36.2614 -36.2522 -36.2522 -35.9742 -35.9742 -35.9733 -35.9733 -35.9650 -35.9650 -35.9635 -35.9635 -28.8687 -28.8687 -11.6742 -11.6742 -10.5673 -10.5673 -10.4974 -10.4974 -4.4461 -4.4461 -3.5389 -3.5389 2.1704 2.1704 4.9858 4.9858 5.1316 5.1316 5.6435 5.6435 5.9316 5.9316 6.0389 6.0389 7.6276 7.6276 8.2358 8.2358 8.9323 8.9323 9.5757 9.5757 k = 0.0000 0.0000 0.0541 ( 6443 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2614 -36.2614 -36.2522 -36.2522 -35.9742 -35.9742 -35.9733 -35.9733 -35.9650 -35.9650 -35.9635 -35.9635 -28.8687 -28.8687 -11.6742 -11.6742 -10.5673 -10.5673 -10.4974 -10.4974 -4.4400 -4.4400 -3.5479 -3.5479 2.1911 2.1911 4.9917 4.9917 5.1376 5.1376 5.5853 5.5853 5.9017 5.9017 6.0271 6.0271 7.6997 7.6997 8.2320 8.2320 8.9548 8.9548 9.5658 9.5658 k = 0.0000 0.0000 0.0676 ( 6419 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2613 -36.2613 -36.2521 -36.2521 -35.9742 -35.9742 -35.9733 -35.9733 -35.9650 -35.9650 -35.9635 -35.9635 -28.8687 -28.8687 -11.6743 -11.6743 -10.5674 -10.5674 -10.4974 -10.4974 -4.4323 -4.4323 -3.5592 -3.5592 2.2175 2.2175 4.9992 4.9992 5.1454 5.1454 5.5102 5.5102 5.8724 5.8724 6.0123 6.0123 7.7829 7.7829 8.2275 8.2275 8.9842 8.9842 9.5527 9.5528 k = 0.0000 0.0000 0.0812 ( 6430 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2614 -36.2614 -36.2522 -36.2522 -35.9742 -35.9742 -35.9733 -35.9733 -35.9650 -35.9650 -35.9635 -35.9635 -28.8687 -28.8687 -11.6743 -11.6743 -10.5674 -10.5674 -10.4974 -10.4974 -4.4229 -4.4229 -3.5728 -3.5728 2.2496 2.2496 5.0083 5.0083 5.1548 5.1548 5.4213 5.4213 5.8444 5.8444 5.9945 5.9945 7.8727 7.8727 8.2224 8.2224 9.0209 9.0209 9.5366 9.5366 k = 0.0000 0.0000 0.0947 ( 6454 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2614 -36.2614 -36.2522 -36.2522 -35.9742 -35.9742 -35.9733 -35.9733 -35.9650 -35.9650 -35.9636 -35.9636 -28.8687 -28.8687 -11.6743 -11.6743 -10.5675 -10.5675 -10.4974 -10.4974 -4.4120 -4.4120 -3.5886 -3.5886 2.2870 2.2870 5.0189 5.0189 5.1659 5.1659 5.3221 5.3221 5.8170 5.8170 5.9741 5.9741 7.9652 7.9652 8.2170 8.2170 9.0653 9.0653 9.5181 9.5181 k = 0.0000 0.0000 0.1082 ( 6460 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2614 -36.2614 -36.2522 -36.2522 -35.9742 -35.9742 -35.9733 -35.9733 -35.9650 -35.9650 -35.9636 -35.9636 -28.8687 -28.8687 -11.6743 -11.6743 -10.5676 -10.5676 -10.4974 -10.4974 -4.3995 -4.3995 -3.6063 -3.6063 2.3297 2.3297 5.0310 5.0310 5.1786 5.1786 5.2160 5.2160 5.7897 5.7897 5.9513 5.9513 8.0570 8.0570 8.2118 8.2118 9.1180 9.1180 9.4978 9.4978 k = 0.0000 0.0000 0.1217 ( 6460 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2614 -36.2614 -36.2522 -36.2522 -35.9742 -35.9742 -35.9733 -35.9733 -35.9650 -35.9650 -35.9636 -35.9636 -28.8687 -28.8687 -11.6744 -11.6744 -10.5677 -10.5677 -10.4974 -10.4974 -4.3856 -4.3856 -3.6258 -3.6258 2.3774 2.3774 5.0431 5.0431 5.1066 5.1066 5.1930 5.1930 5.7619 5.7619 5.9264 5.9264 8.1439 8.1439 8.2084 8.2084 9.1797 9.1797 9.4764 9.4764 k = 0.0000 0.0000 0.1353 ( 6460 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2614 -36.2614 -36.2522 -36.2522 -35.9742 -35.9742 -35.9733 -35.9733 -35.9650 -35.9650 -35.9636 -35.9636 -28.8687 -28.8687 -11.6744 -11.6744 -10.5677 -10.5677 -10.4974 -10.4974 -4.3704 -4.3704 -3.6468 -3.6468 2.4297 2.4297 4.9875 4.9875 5.0637 5.0637 5.2089 5.2089 5.7334 5.7334 5.8995 5.8995 8.1927 8.1927 8.2378 8.2378 9.2505 9.2505 9.4548 9.4548 k = 0.0000 0.0000 0.1488 ( 6460 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2614 -36.2614 -36.2522 -36.2522 -35.9742 -35.9742 -35.9733 -35.9733 -35.9650 -35.9650 -35.9636 -35.9636 -28.8687 -28.8687 -11.6744 -11.6744 -10.5678 -10.5678 -10.4974 -10.4974 -4.3539 -4.3539 -3.6691 -3.6691 2.4865 2.4865 4.8734 4.8734 5.0792 5.0792 5.2264 5.2264 5.7041 5.7041 5.8710 5.8710 8.1913 8.1913 8.3105 8.3105 9.3301 9.3301 9.4338 9.4338 k = 0.0000 0.0000 0.1623 ( 6442 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2614 -36.2614 -36.2522 -36.2522 -35.9742 -35.9742 -35.9732 -35.9732 -35.9650 -35.9650 -35.9635 -35.9635 -28.8687 -28.8687 -11.6744 -11.6744 -10.5679 -10.5679 -10.4974 -10.4974 -4.3363 -4.3363 -3.6925 -3.6925 2.5472 2.5472 4.7578 4.7578 5.0974 5.0974 5.2454 5.2454 5.6740 5.6740 5.8412 5.8412 8.1869 8.1869 8.3784 8.3784 9.4027 9.4027 9.4133 9.4133 k = 0.0000 0.0000 0.1758 ( 6430 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2613 -36.2613 -36.2522 -36.2522 -35.9742 -35.9742 -35.9732 -35.9732 -35.9650 -35.9650 -35.9635 -35.9635 -28.8687 -28.8687 -11.6744 -11.6744 -10.5680 -10.5680 -10.4974 -10.4974 -4.3179 -4.3179 -3.7166 -3.7166 2.6115 2.6115 4.6429 4.6429 5.1172 5.1172 5.2659 5.2659 5.6433 5.6433 5.8102 5.8102 8.1824 8.1824 8.4385 8.4385 9.3901 9.3901 9.3930 9.3930 k = 0.0000 0.0000 0.1894 ( 6442 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2614 -36.2614 -36.2522 -36.2522 -35.9742 -35.9742 -35.9732 -35.9732 -35.9650 -35.9650 -35.9635 -35.9635 -28.8687 -28.8687 -11.6745 -11.6745 -10.5680 -10.5680 -10.4974 -10.4974 -4.2988 -4.2988 -3.7412 -3.7412 2.6787 2.6787 4.5296 4.5296 5.1384 5.1384 5.2877 5.2877 5.6119 5.6119 5.7785 5.7785 8.1783 8.1783 8.4904 8.4904 9.3721 9.3721 9.3741 9.3741 k = 0.0000 0.0000 0.2029 ( 6436 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2613 -36.2613 -36.2522 -36.2522 -35.9742 -35.9742 -35.9732 -35.9732 -35.9650 -35.9650 -35.9635 -35.9635 -28.8687 -28.8687 -11.6745 -11.6745 -10.5681 -10.5681 -10.4974 -10.4974 -4.2793 -4.2793 -3.7657 -3.7657 2.7482 2.7482 4.4191 4.4191 5.1609 5.1609 5.3108 5.3108 5.5802 5.5802 5.7462 5.7462 8.1745 8.1745 8.5346 8.5346 9.3554 9.3554 9.3569 9.3569 k = 0.0000 0.0000 0.2164 ( 6436 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2613 -36.2613 -36.2522 -36.2522 -35.9742 -35.9742 -35.9732 -35.9732 -35.9650 -35.9650 -35.9635 -35.9635 -28.8687 -28.8687 -11.6745 -11.6745 -10.5682 -10.5682 -10.4974 -10.4974 -4.2598 -4.2598 -3.7898 -3.7898 2.8189 2.8189 4.3125 4.3125 5.1846 5.1846 5.3351 5.3351 5.5483 5.5483 5.7135 5.7135 8.1712 8.1712 8.5715 8.5715 9.3405 9.3405 9.3417 9.3417 k = 0.0000 0.0000 0.2299 ( 6472 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2614 -36.2614 -36.2522 -36.2522 -35.9743 -35.9743 -35.9733 -35.9733 -35.9651 -35.9651 -35.9636 -35.9636 -28.8687 -28.8687 -11.6745 -11.6745 -10.5683 -10.5683 -10.4974 -10.4974 -4.2408 -4.2408 -3.8128 -3.8128 2.8893 2.8893 4.2115 4.2115 5.2094 5.2094 5.3605 5.3605 5.5163 5.5163 5.6808 5.6808 8.1684 8.1684 8.6018 8.6018 9.3276 9.3276 9.3286 9.3286 k = 0.0000 0.0000 0.2435 ( 6454 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2614 -36.2614 -36.2522 -36.2522 -35.9743 -35.9743 -35.9732 -35.9732 -35.9650 -35.9650 -35.9635 -35.9635 -28.8687 -28.8687 -11.6745 -11.6745 -10.5683 -10.5683 -10.4974 -10.4974 -4.2230 -4.2230 -3.8340 -3.8340 2.9573 2.9573 4.1184 4.1184 5.2351 5.2351 5.3868 5.3868 5.4846 5.4846 5.6485 5.6485 8.1661 8.1661 8.6260 8.6260 9.3169 9.3169 9.3177 9.3177 k = 0.0000 0.0000 0.2570 ( 6436 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2614 -36.2614 -36.2522 -36.2522 -35.9743 -35.9743 -35.9732 -35.9732 -35.9650 -35.9650 -35.9635 -35.9635 -28.8687 -28.8687 -11.6745 -11.6745 -10.5683 -10.5683 -10.4974 -10.4974 -4.2073 -4.2073 -3.8524 -3.8524 3.0198 3.0198 4.0364 4.0364 5.2615 5.2615 5.4135 5.4135 5.4536 5.4536 5.6169 5.6169 8.1643 8.1643 8.6444 8.6444 9.3084 9.3085 9.3092 9.3092 k = 0.0000 0.0000 0.2705 ( 6430 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2614 -36.2614 -36.2522 -36.2522 -35.9742 -35.9742 -35.9732 -35.9732 -35.9650 -35.9650 -35.9635 -35.9635 -28.8687 -28.8687 -11.6746 -11.6746 -10.5684 -10.5684 -10.4974 -10.4974 -4.1947 -4.1947 -3.8670 -3.8670 3.0719 3.0719 3.9702 3.9702 5.2878 5.2878 5.4238 5.4238 5.4398 5.4398 5.5872 5.5872 8.1630 8.1630 8.6574 8.6574 9.3024 9.3024 9.3030 9.3030 k = 0.0000 0.0000 0.2840 ( 6418 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2613 -36.2613 -36.2521 -36.2521 -35.9742 -35.9742 -35.9732 -35.9732 -35.9650 -35.9650 -35.9635 -35.9635 -28.8687 -28.8687 -11.6746 -11.6746 -10.5684 -10.5684 -10.4974 -10.4974 -4.1865 -4.1865 -3.8764 -3.8764 3.1075 3.1075 3.9262 3.9262 5.3119 5.3119 5.3977 5.3977 5.4629 5.4629 5.5619 5.5619 8.1622 8.1622 8.6651 8.6651 9.2987 9.2987 9.2993 9.2993 k = 0.0000 0.0000 0.2976 ( 6418 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2613 -36.2613 -36.2521 -36.2521 -35.9742 -35.9742 -35.9732 -35.9732 -35.9650 -35.9650 -35.9635 -35.9635 -28.8687 -28.8687 -11.6746 -11.6746 -10.5684 -10.5684 -10.4974 -10.4974 -4.1836 -4.1836 -3.8796 -3.8796 3.1202 3.1202 3.9106 3.9106 5.3244 5.3244 5.3845 5.3845 5.4739 5.4739 5.5501 5.5501 8.1619 8.1619 8.6676 8.6676 9.2975 9.2975 9.2981 9.2981 k = 0.0000 0.0000 0.2976 ( 6418 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2613 -36.2613 -36.2521 -36.2521 -35.9742 -35.9742 -35.9732 -35.9732 -35.9650 -35.9650 -35.9635 -35.9635 -28.8687 -28.8687 -11.6746 -11.6746 -10.5684 -10.5684 -10.4974 -10.4974 -4.1836 -4.1836 -3.8796 -3.8796 3.1202 3.1202 3.9106 3.9106 5.3244 5.3244 5.3845 5.3845 5.4739 5.4739 5.5501 5.5501 8.1619 8.1619 8.6676 8.6676 9.2975 9.2975 9.2981 9.2981 k = 0.0119 0.0069 0.2976 ( 6422 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2613 -36.2613 -36.2522 -36.2522 -35.9742 -35.9742 -35.9732 -35.9732 -35.9650 -35.9650 -35.9635 -35.9635 -28.8687 -28.8687 -11.6746 -11.6746 -10.5684 -10.5684 -10.4975 -10.4975 -4.1831 -4.1831 -3.8789 -3.8789 3.1197 3.1197 3.9104 3.9104 5.3209 5.3209 5.3769 5.3769 5.4757 5.4757 5.5475 5.5475 8.1698 8.1698 8.6707 8.6707 9.2971 9.2971 9.3013 9.3013 k = 0.0238 0.0137 0.2976 ( 6426 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2613 -36.2613 -36.2522 -36.2522 -35.9742 -35.9742 -35.9732 -35.9732 -35.9650 -35.9650 -35.9635 -35.9635 -28.8687 -28.8687 -11.6748 -11.6748 -10.5684 -10.5684 -10.4980 -10.4980 -4.1815 -4.1815 -3.8768 -3.8768 3.1179 3.1179 3.9097 3.9097 5.3103 5.3103 5.3562 5.3562 5.4785 5.4785 5.5405 5.5405 8.1928 8.1928 8.6799 8.6799 9.2952 9.2952 9.3120 9.3120 k = 0.0357 0.0206 0.2976 ( 6446 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2614 -36.2614 -36.2522 -36.2522 -35.9743 -35.9743 -35.9733 -35.9733 -35.9650 -35.9650 -35.9635 -35.9635 -28.8686 -28.8686 -11.6750 -11.6750 -10.5684 -10.5684 -10.4987 -10.4987 -4.1788 -4.1788 -3.8733 -3.8733 3.1149 3.1149 3.9083 3.9083 5.2911 5.2911 5.3276 5.3276 5.4774 5.4774 5.5316 5.5316 8.2297 8.2297 8.6951 8.6951 9.2921 9.2921 9.3295 9.3295 k = 0.0476 0.0275 0.2976 ( 6450 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2613 -36.2613 -36.2522 -36.2522 -35.9743 -35.9743 -35.9733 -35.9733 -35.9650 -35.9650 -35.9636 -35.9636 -28.8686 -28.8686 -11.6754 -11.6754 -10.5685 -10.5685 -10.4997 -10.4997 -4.1750 -4.1750 -3.8683 -3.8683 3.1106 3.1106 3.9059 3.9059 5.2597 5.2597 5.2978 5.2978 5.4667 5.4667 5.5257 5.5257 8.2782 8.2782 8.7161 8.7161 9.2880 9.2880 9.3539 9.3539 k = 0.0595 0.0344 0.2976 ( 6454 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2613 -36.2613 -36.2523 -36.2523 -35.9743 -35.9743 -35.9733 -35.9733 -35.9650 -35.9650 -35.9636 -35.9636 -28.8685 -28.8685 -11.6758 -11.6758 -10.5685 -10.5685 -10.5010 -10.5010 -4.1702 -4.1702 -3.8620 -3.8620 3.1052 3.1052 3.9022 3.9022 5.2155 5.2155 5.2699 5.2699 5.4445 5.4445 5.5247 5.5247 8.3349 8.3349 8.7432 8.7432 9.2835 9.2835 9.3849 9.3849 k = 0.0714 0.0412 0.2976 ( 6468 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2613 -36.2613 -36.2523 -36.2523 -35.9743 -35.9743 -35.9733 -35.9733 -35.9650 -35.9650 -35.9636 -35.9636 -28.8684 -28.8684 -11.6764 -11.6764 -10.5686 -10.5686 -10.5025 -10.5025 -4.1643 -4.1643 -3.8544 -3.8544 3.0984 3.0984 3.8966 3.8966 5.1635 5.1635 5.2416 5.2416 5.4138 5.4138 5.5260 5.5260 8.3951 8.3951 8.7775 8.7775 9.2788 9.2788 9.4223 9.4223 k = 0.0833 0.0481 0.2976 ( 6472 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2613 -36.2613 -36.2524 -36.2524 -35.9743 -35.9743 -35.9733 -35.9733 -35.9650 -35.9650 -35.9636 -35.9636 -28.8683 -28.8683 -11.6770 -11.6770 -10.5688 -10.5688 -10.5042 -10.5042 -4.1574 -4.1574 -3.8455 -3.8455 3.0904 3.0904 3.8884 3.8884 5.1075 5.1075 5.2112 5.2112 5.3774 5.3774 5.5276 5.5276 8.4526 8.4526 8.8215 8.8215 9.2748 9.2748 9.4656 9.4656 k = 0.0952 0.0550 0.2976 ( 6468 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2612 -36.2612 -36.2524 -36.2524 -35.9743 -35.9743 -35.9733 -35.9733 -35.9650 -35.9650 -35.9636 -35.9636 -28.8681 -28.8681 -11.6778 -11.6778 -10.5689 -10.5689 -10.5062 -10.5062 -4.1494 -4.1494 -3.8353 -3.8353 3.0811 3.0811 3.8769 3.8769 5.0502 5.0502 5.1786 5.1786 5.3369 5.3369 5.5287 5.5287 8.5001 8.5001 8.8784 8.8784 9.2723 9.2723 9.5145 9.5145 k = 0.1071 0.0619 0.2976 ( 6476 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2612 -36.2612 -36.2525 -36.2525 -35.9743 -35.9743 -35.9733 -35.9733 -35.9650 -35.9650 -35.9636 -35.9636 -28.8680 -28.8680 -11.6786 -11.6786 -10.5691 -10.5691 -10.5083 -10.5083 -4.1405 -4.1405 -3.8240 -3.8240 3.0703 3.0703 3.8611 3.8611 4.9940 4.9940 5.1436 5.1436 5.2938 5.2938 5.5290 5.5290 8.5320 8.5320 8.9502 8.9502 9.2722 9.2722 9.5687 9.5687 k = 0.1190 0.0687 0.2976 ( 6464 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2612 -36.2612 -36.2525 -36.2525 -35.9743 -35.9743 -35.9733 -35.9733 -35.9650 -35.9650 -35.9636 -35.9636 -28.8678 -28.8678 -11.6795 -11.6795 -10.5693 -10.5693 -10.5107 -10.5107 -4.1306 -4.1306 -3.8115 -3.8115 3.0582 3.0582 3.8400 3.8400 4.9410 4.9410 5.1064 5.1064 5.2489 5.2489 5.5284 5.5284 8.5464 8.5464 9.0347 9.0347 9.2759 9.2759 9.6277 9.6277 k = 0.1310 0.0756 0.2976 ( 6460 PWs) bands (ev): -69.3161 -69.3161 -69.3141 -69.3141 -36.2611 -36.2611 -36.2526 -36.2526 -35.9743 -35.9743 -35.9733 -35.9733 -35.9650 -35.9650 -35.9636 -35.9636 -28.8676 -28.8676 -11.6805 -11.6805 -10.5697 -10.5697 -10.5131 -10.5131 -4.1198 -4.1198 -3.7979 -3.7979 3.0446 3.0446 3.8128 3.8128 4.8930 4.8930 5.0672 5.0672 5.2033 5.2033 5.5269 5.5269 8.5446 8.5446 9.1238 9.1238 9.2876 9.2876 9.6909 9.6909 k = 0.1429 0.0825 0.2976 ( 6456 PWs) bands (ev): -69.3160 -69.3160 -69.3141 -69.3141 -36.2610 -36.2610 -36.2526 -36.2526 -35.9743 -35.9743 -35.9732 -35.9732 -35.9650 -35.9650 -35.9636 -35.9636 -28.8674 -28.8674 -11.6816 -11.6816 -10.5701 -10.5701 -10.5157 -10.5157 -4.1081 -4.1081 -3.7834 -3.7834 3.0296 3.0296 3.7787 3.7787 4.8513 4.8513 5.0260 5.0260 5.1578 5.1578 5.5244 5.5244 8.5293 8.5293 9.1971 9.1971 9.3222 9.3222 9.7580 9.7580 k = 0.1548 0.0894 0.2976 ( 6448 PWs) bands (ev): -69.3160 -69.3160 -69.3141 -69.3141 -36.2610 -36.2610 -36.2527 -36.2527 -35.9743 -35.9743 -35.9732 -35.9732 -35.9650 -35.9650 -35.9636 -35.9636 -28.8672 -28.8672 -11.6827 -11.6827 -10.5706 -10.5706 -10.5183 -10.5183 -4.0955 -4.0955 -3.7679 -3.7679 3.0131 3.0131 3.7375 3.7375 4.8168 4.8168 4.9833 4.9833 5.1129 5.1129 5.5211 5.5211 8.5031 8.5031 9.2306 9.2306 9.3980 9.3980 9.8279 9.8279 k = 0.1667 0.0962 0.2976 ( 6438 PWs) bands (ev): -69.3160 -69.3160 -69.3141 -69.3141 -36.2609 -36.2609 -36.2528 -36.2528 -35.9743 -35.9743 -35.9732 -35.9732 -35.9651 -35.9651 -35.9636 -35.9636 -28.8670 -28.8670 -11.6839 -11.6839 -10.5712 -10.5712 -10.5209 -10.5209 -4.0821 -4.0821 -3.7517 -3.7517 2.9950 2.9950 3.6891 3.6891 4.7899 4.7899 4.9396 4.9396 5.0692 5.0692 5.5170 5.5170 8.4685 8.4685 9.2398 9.2398 9.4918 9.4918 9.8562 9.8562 k = 0.1786 0.1031 0.2976 ( 6442 PWs) bands (ev): -69.3160 -69.3160 -69.3141 -69.3141 -36.2608 -36.2608 -36.2529 -36.2529 -35.9743 -35.9743 -35.9732 -35.9732 -35.9651 -35.9651 -35.9636 -35.9636 -28.8667 -28.8667 -11.6852 -11.6852 -10.5720 -10.5720 -10.5235 -10.5235 -4.0679 -4.0679 -3.7346 -3.7346 2.9754 2.9754 3.6341 3.6341 4.7699 4.7699 4.8957 4.8957 5.0269 5.0269 5.5121 5.5121 8.4276 8.4276 9.2387 9.2387 9.5766 9.5766 9.8149 9.8149 k = 0.1905 0.1100 0.2976 ( 6436 PWs) bands (ev): -69.3160 -69.3160 -69.3141 -69.3141 -36.2608 -36.2608 -36.2530 -36.2530 -35.9744 -35.9744 -35.9731 -35.9731 -35.9651 -35.9651 -35.9636 -35.9636 -28.8665 -28.8665 -11.6865 -11.6865 -10.5729 -10.5729 -10.5260 -10.5260 -4.0529 -4.0529 -3.7170 -3.7170 2.9543 2.9543 3.5733 3.5733 4.7554 4.7554 4.8533 4.8533 4.9862 4.9862 5.5067 5.5067 8.3822 8.3822 9.2304 9.2304 9.6274 9.6274 9.7843 9.7843 k = 0.2024 0.1168 0.2976 ( 6432 PWs) bands (ev): -69.3159 -69.3159 -69.3141 -69.3141 -36.2607 -36.2607 -36.2531 -36.2531 -35.9744 -35.9744 -35.9731 -35.9731 -35.9651 -35.9651 -35.9636 -35.9636 -28.8662 -28.8662 -11.6879 -11.6879 -10.5741 -10.5741 -10.5284 -10.5284 -4.0374 -4.0374 -3.6987 -3.6987 2.9317 2.9317 3.5078 3.5078 4.7424 4.7424 4.8157 4.8157 4.9474 4.9474 5.5007 5.5007 8.3338 8.3338 9.2147 9.2147 9.6291 9.6291 9.7629 9.7629 k = 0.2143 0.1237 0.2976 ( 6438 PWs) bands (ev): -69.3159 -69.3159 -69.3142 -69.3142 -36.2606 -36.2606 -36.2532 -36.2532 -35.9744 -35.9744 -35.9730 -35.9730 -35.9652 -35.9652 -35.9636 -35.9636 -28.8660 -28.8660 -11.6893 -11.6893 -10.5755 -10.5755 -10.5306 -10.5306 -4.0212 -4.0212 -3.6801 -3.6801 2.9077 2.9077 3.4386 3.4386 4.7224 4.7224 4.7905 4.7905 4.9110 4.9110 5.4942 5.4942 8.2837 8.2837 9.1910 9.1910 9.6019 9.6019 9.7346 9.7346 k = 0.2262 0.1306 0.2976 ( 6446 PWs) bands (ev): -69.3159 -69.3159 -69.3142 -69.3142 -36.2605 -36.2605 -36.2533 -36.2533 -35.9745 -35.9745 -35.9730 -35.9730 -35.9652 -35.9652 -35.9636 -35.9636 -28.8657 -28.8657 -11.6908 -11.6908 -10.5771 -10.5771 -10.5327 -10.5327 -4.0044 -4.0044 -3.6611 -3.6611 2.8823 2.8823 3.3670 3.3670 4.6906 4.6906 4.7805 4.7805 4.8786 4.8786 5.4873 5.4873 8.2329 8.2329 9.1585 9.1585 9.5659 9.5659 9.6984 9.6984 k = 0.2381 0.1375 0.2976 ( 6446 PWs) bands (ev): -69.3159 -69.3159 -69.3142 -69.3142 -36.2604 -36.2604 -36.2534 -36.2534 -35.9745 -35.9745 -35.9729 -35.9729 -35.9653 -35.9653 -35.9635 -35.9635 -28.8655 -28.8655 -11.6923 -11.6923 -10.5789 -10.5789 -10.5345 -10.5345 -3.9872 -3.9872 -3.6418 -3.6418 2.8556 2.8556 3.2938 3.2938 4.6530 4.6530 4.7750 4.7750 4.8543 4.8543 5.4801 5.4801 8.1824 8.1824 9.1173 9.1173 9.5275 9.5275 9.6615 9.6615 k = 0.2500 0.1443 0.2976 ( 6438 PWs) bands (ev): -69.3159 -69.3159 -69.3142 -69.3142 -36.2603 -36.2603 -36.2535 -36.2535 -35.9745 -35.9745 -35.9729 -35.9729 -35.9653 -35.9653 -35.9635 -35.9635 -28.8652 -28.8652 -11.6938 -11.6938 -10.5810 -10.5810 -10.5361 -10.5361 -3.9697 -3.9697 -3.6225 -3.6225 2.8278 2.8278 3.2200 3.2200 4.6145 4.6145 4.7617 4.7617 4.8450 4.8450 5.4727 5.4727 8.1329 8.1329 9.0679 9.0679 9.4880 9.4880 9.6287 9.6287 k = 0.2619 0.1512 0.2976 ( 6456 PWs) bands (ev): -69.3158 -69.3158 -69.3143 -69.3143 -36.2603 -36.2603 -36.2536 -36.2536 -35.9746 -35.9746 -35.9728 -35.9728 -35.9654 -35.9654 -35.9635 -35.9635 -28.8649 -28.8649 -11.6953 -11.6953 -10.5833 -10.5833 -10.5374 -10.5374 -3.9518 -3.9518 -3.6031 -3.6031 2.7990 2.7990 3.1463 3.1463 4.5768 4.5768 4.7383 4.7383 4.8509 4.8509 5.4652 5.4652 8.0849 8.0849 9.0115 9.0115 9.4475 9.4475 9.6024 9.6024 k = 0.2738 0.1581 0.2976 ( 6454 PWs) bands (ev): -69.3158 -69.3158 -69.3143 -69.3143 -36.2602 -36.2602 -36.2537 -36.2537 -35.9746 -35.9746 -35.9728 -35.9728 -35.9655 -35.9655 -35.9635 -35.9635 -28.8647 -28.8647 -11.6969 -11.6969 -10.5857 -10.5857 -10.5385 -10.5385 -3.9337 -3.9337 -3.5838 -3.5838 2.7693 2.7693 3.0735 3.0735 4.5405 4.5405 4.7103 4.7103 4.8652 4.8652 5.4577 5.4577 8.0389 8.0389 8.9497 8.9497 9.4066 9.4066 9.5829 9.5829 k = 0.2857 0.1650 0.2976 ( 6450 PWs) bands (ev): -69.3158 -69.3158 -69.3143 -69.3143 -36.2601 -36.2601 -36.2538 -36.2538 -35.9747 -35.9747 -35.9727 -35.9727 -35.9655 -35.9655 -35.9635 -35.9635 -28.8644 -28.8644 -11.6984 -11.6984 -10.5883 -10.5883 -10.5394 -10.5394 -3.9155 -3.9155 -3.5647 -3.5647 2.7389 2.7389 3.0021 3.0021 4.5061 4.5061 4.6814 4.6814 4.8837 4.8837 5.4502 5.4502 7.9954 7.9954 8.8838 8.8838 9.3661 9.3661 9.5693 9.5693 k = 0.2976 0.1718 0.2976 ( 6450 PWs) bands (ev): -69.3158 -69.3158 -69.3143 -69.3143 -36.2600 -36.2600 -36.2540 -36.2540 -35.9747 -35.9747 -35.9727 -35.9727 -35.9656 -35.9656 -35.9634 -35.9634 -28.8642 -28.8642 -11.6999 -11.6999 -10.5910 -10.5910 -10.5401 -10.5401 -3.8973 -3.8973 -3.5460 -3.5460 2.7081 2.7081 2.9327 2.9327 4.4737 4.4737 4.6528 4.6528 4.9044 4.9044 5.4428 5.4428 7.9546 7.9546 8.8153 8.8153 9.3268 9.3268 9.5606 9.5606 k = 0.3095 0.1787 0.2976 ( 6442 PWs) bands (ev): -69.3157 -69.3157 -69.3144 -69.3144 -36.2598 -36.2598 -36.2541 -36.2541 -35.9747 -35.9747 -35.9726 -35.9726 -35.9657 -35.9657 -35.9634 -35.9634 -28.8639 -28.8639 -11.7014 -11.7014 -10.5938 -10.5938 -10.5407 -10.5407 -3.8791 -3.8791 -3.5277 -3.5277 2.6770 2.6770 2.8657 2.8657 4.4433 4.4433 4.6251 4.6251 4.9265 4.9265 5.4356 5.4356 7.9168 7.9168 8.7453 8.7453 9.2892 9.2892 9.5561 9.5561 k = 0.3214 0.1856 0.2976 ( 6440 PWs) bands (ev): -69.3157 -69.3157 -69.3144 -69.3144 -36.2597 -36.2597 -36.2542 -36.2542 -35.9748 -35.9748 -35.9725 -35.9725 -35.9657 -35.9657 -35.9634 -35.9634 -28.8637 -28.8637 -11.7028 -11.7028 -10.5966 -10.5966 -10.5411 -10.5411 -3.8612 -3.8612 -3.5100 -3.5100 2.6458 2.6458 2.8015 2.8015 4.4150 4.4150 4.5986 4.5986 4.9491 4.9491 5.4288 5.4288 7.8822 7.8822 8.6750 8.6750 9.2537 9.2537 9.5552 9.5552 k = 0.3333 0.1925 0.2976 ( 6448 PWs) bands (ev): -69.3157 -69.3157 -69.3144 -69.3144 -36.2596 -36.2596 -36.2544 -36.2544 -35.9748 -35.9748 -35.9725 -35.9725 -35.9658 -35.9658 -35.9634 -35.9634 -28.8635 -28.8635 -11.7042 -11.7042 -10.5994 -10.5994 -10.5414 -10.5414 -3.8436 -3.8436 -3.4929 -3.4929 2.6148 2.6148 2.7405 2.7405 4.3887 4.3887 4.5734 4.5734 4.9719 4.9719 5.4223 5.4223 7.8508 7.8508 8.6051 8.6051 9.2205 9.2205 9.5573 9.5573 k = 0.3452 0.1993 0.2976 ( 6444 PWs) bands (ev): -69.3156 -69.3156 -69.3144 -69.3144 -36.2595 -36.2595 -36.2545 -36.2545 -35.9749 -35.9749 -35.9724 -35.9724 -35.9658 -35.9658 -35.9633 -35.9633 -28.8632 -28.8632 -11.7056 -11.7056 -10.6021 -10.6021 -10.5416 -10.5416 -3.8264 -3.8264 -3.4766 -3.4766 2.5839 2.5839 2.6831 2.6831 4.3645 4.3645 4.5497 4.5497 4.9943 4.9943 5.4162 5.4162 7.8229 7.8229 8.5364 8.5364 9.1897 9.1897 9.5621 9.5621 k = 0.3571 0.2062 0.2976 ( 6456 PWs) bands (ev): -69.3156 -69.3156 -69.3145 -69.3145 -36.2594 -36.2594 -36.2546 -36.2546 -35.9749 -35.9749 -35.9723 -35.9723 -35.9659 -35.9659 -35.9633 -35.9633 -28.8630 -28.8630 -11.7069 -11.7069 -10.6047 -10.6047 -10.5417 -10.5417 -3.8098 -3.8098 -3.4611 -3.4611 2.5533 2.5533 2.6299 2.6299 4.3423 4.3423 4.5276 4.5276 5.0161 5.0161 5.4107 5.4107 7.7983 7.7983 8.4694 8.4694 9.1613 9.1613 9.5693 9.5693 k = 0.3690 0.2131 0.2976 ( 6454 PWs) bands (ev): -69.3156 -69.3156 -69.3145 -69.3145 -36.2593 -36.2593 -36.2547 -36.2547 -35.9749 -35.9749 -35.9723 -35.9723 -35.9660 -35.9660 -35.9633 -35.9633 -28.8628 -28.8628 -11.7081 -11.7081 -10.6072 -10.6072 -10.5418 -10.5418 -3.7939 -3.7939 -3.4465 -3.4465 2.5227 2.5227 2.5817 2.5817 4.3220 4.3220 4.5070 4.5070 5.0370 5.0370 5.4058 5.4058 7.7771 7.7771 8.4049 8.4049 9.1353 9.1353 9.5786 9.5786 k = 0.3810 0.2199 0.2976 ( 6462 PWs) bands (ev): -69.3156 -69.3156 -69.3145 -69.3145 -36.2592 -36.2592 -36.2549 -36.2549 -35.9750 -35.9750 -35.9722 -35.9722 -35.9661 -35.9661 -35.9633 -35.9633 -28.8626 -28.8626 -11.7093 -11.7093 -10.6095 -10.6095 -10.5418 -10.5418 -3.7789 -3.7789 -3.4330 -3.4330 2.4914 2.4914 2.5394 2.5394 4.3036 4.3036 4.4881 4.4881 5.0566 5.0566 5.4015 5.4015 7.7592 7.7592 8.3431 8.3431 9.1117 9.1117 9.5897 9.5897 k = 0.3929 0.2268 0.2976 ( 6466 PWs) bands (ev): -69.3155 -69.3155 -69.3146 -69.3146 -36.2592 -36.2592 -36.2550 -36.2550 -35.9750 -35.9750 -35.9722 -35.9722 -35.9661 -35.9661 -35.9633 -35.9633 -28.8625 -28.8625 -11.7103 -11.7103 -10.6117 -10.6117 -10.5418 -10.5418 -3.7647 -3.7647 -3.4206 -3.4206 2.4590 2.4590 2.5038 2.5038 4.2872 4.2872 4.4710 4.4710 5.0747 5.0747 5.3978 5.3978 7.7447 7.7447 8.2846 8.2846 9.0905 9.0905 9.6021 9.6021 k = 0.4048 0.2337 0.2976 ( 6466 PWs) bands (ev): -69.3155 -69.3155 -69.3146 -69.3146 -36.2591 -36.2591 -36.2551 -36.2551 -35.9750 -35.9750 -35.9721 -35.9721 -35.9662 -35.9662 -35.9632 -35.9632 -28.8623 -28.8623 -11.7113 -11.7113 -10.6137 -10.6137 -10.5418 -10.5418 -3.7517 -3.7517 -3.4093 -3.4093 2.4264 2.4264 2.4747 2.4747 4.2725 4.2725 4.4555 4.4555 5.0912 5.0912 5.3949 5.3949 7.7333 7.7333 8.2299 8.2299 9.0716 9.0716 9.6156 9.6156 k = 0.4167 0.2406 0.2976 ( 6462 PWs) bands (ev): -69.3155 -69.3155 -69.3146 -69.3146 -36.2590 -36.2590 -36.2552 -36.2552 -35.9751 -35.9751 -35.9721 -35.9721 -35.9662 -35.9662 -35.9632 -35.9632 -28.8622 -28.8622 -11.7122 -11.7122 -10.6156 -10.6156 -10.5417 -10.5417 -3.7398 -3.7398 -3.3993 -3.3993 2.3952 2.3952 2.4505 2.4505 4.2596 4.2596 4.4419 4.4419 5.1059 5.1059 5.3926 5.3926 7.7250 7.7250 8.1793 8.1793 9.0551 9.0551 9.6294 9.6294 k = 0.4286 0.2474 0.2976 ( 6444 PWs) bands (ev): -69.3155 -69.3155 -69.3146 -69.3146 -36.2589 -36.2589 -36.2552 -36.2552 -35.9751 -35.9751 -35.9720 -35.9720 -35.9662 -35.9662 -35.9632 -35.9632 -28.8620 -28.8620 -11.7130 -11.7130 -10.6171 -10.6171 -10.5417 -10.5417 -3.7293 -3.7293 -3.3904 -3.3904 2.3670 2.3670 2.4301 2.4301 4.2486 4.2486 4.4300 4.4300 5.1186 5.1186 5.3909 5.3909 7.7194 7.7194 8.1332 8.1332 9.0408 9.0408 9.6432 9.6432 k = 0.4405 0.2543 0.2976 ( 6444 PWs) bands (ev): -69.3155 -69.3155 -69.3146 -69.3146 -36.2588 -36.2588 -36.2553 -36.2553 -35.9751 -35.9751 -35.9720 -35.9720 -35.9663 -35.9663 -35.9632 -35.9632 -28.8619 -28.8619 -11.7136 -11.7136 -10.6185 -10.6185 -10.5416 -10.5416 -3.7201 -3.7201 -3.3829 -3.3829 2.3425 2.3425 2.4130 2.4130 4.2392 4.2392 4.4199 4.4199 5.1294 5.1294 5.3898 5.3898 7.7164 7.7164 8.0923 8.0923 9.0288 9.0288 9.6563 9.6563 k = 0.4524 0.2612 0.2976 ( 6448 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2587 -36.2587 -36.2554 -36.2554 -35.9751 -35.9751 -35.9720 -35.9720 -35.9663 -35.9663 -35.9632 -35.9632 -28.8619 -28.8619 -11.7142 -11.7142 -10.6197 -10.6197 -10.5416 -10.5416 -3.7125 -3.7125 -3.3768 -3.3768 2.3221 2.3221 2.3990 2.3990 4.2316 4.2316 4.4116 4.4116 5.1381 5.1381 5.3891 5.3891 7.7153 7.7153 8.0572 8.0572 9.0190 9.0190 9.6680 9.6680 k = 0.4643 0.2681 0.2976 ( 6444 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2587 -36.2587 -36.2555 -36.2555 -35.9751 -35.9751 -35.9720 -35.9720 -35.9663 -35.9663 -35.9632 -35.9632 -28.8618 -28.8618 -11.7146 -11.7146 -10.6205 -10.6205 -10.5415 -10.5415 -3.7065 -3.7065 -3.3719 -3.3719 2.3061 2.3061 2.3881 2.3881 4.2257 4.2257 4.4052 4.4052 5.1449 5.1449 5.3887 5.3887 7.7158 7.7158 8.0285 8.0285 9.0115 9.0115 9.6779 9.6779 k = 0.4762 0.2749 0.2976 ( 6438 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2586 -36.2586 -36.2555 -36.2555 -35.9751 -35.9751 -35.9719 -35.9719 -35.9663 -35.9663 -35.9632 -35.9632 -28.8617 -28.8617 -11.7149 -11.7149 -10.6212 -10.6212 -10.5415 -10.5415 -3.7022 -3.7022 -3.3685 -3.3685 2.2946 2.2946 2.3803 2.3803 4.2215 4.2215 4.4006 4.4006 5.1497 5.1497 5.3885 5.3885 7.7169 7.7169 8.0070 8.0070 9.0060 9.0060 9.6854 9.6854 k = 0.4881 0.2818 0.2976 ( 6436 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2586 -36.2586 -36.2555 -36.2555 -35.9751 -35.9751 -35.9719 -35.9719 -35.9663 -35.9663 -35.9632 -35.9632 -28.8617 -28.8617 -11.7151 -11.7151 -10.6216 -10.6216 -10.5415 -10.5415 -3.6996 -3.6996 -3.3664 -3.3664 2.2876 2.2876 2.3756 2.3756 4.2189 4.2189 4.3978 4.3978 5.1525 5.1525 5.3885 5.3885 7.7180 7.7180 7.9937 7.9937 9.0028 9.0028 9.6901 9.6901 k = 0.5000 0.2887 0.2976 ( 6432 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2586 -36.2586 -36.2555 -36.2555 -35.9751 -35.9751 -35.9719 -35.9719 -35.9663 -35.9663 -35.9631 -35.9631 -28.8617 -28.8617 -11.7152 -11.7152 -10.6217 -10.6217 -10.5415 -10.5415 -3.6987 -3.6987 -3.3657 -3.3657 2.2853 2.2853 2.3740 2.3740 4.2181 4.2181 4.3969 4.3969 5.1535 5.1535 5.3885 5.3885 7.7185 7.7185 7.9892 7.9892 9.0017 9.0017 9.6917 9.6917 k = 0.5000 0.2887 0.2976 ( 6432 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2586 -36.2586 -36.2555 -36.2555 -35.9751 -35.9751 -35.9719 -35.9719 -35.9663 -35.9663 -35.9631 -35.9631 -28.8617 -28.8617 -11.7152 -11.7152 -10.6217 -10.6217 -10.5415 -10.5415 -3.6987 -3.6987 -3.3657 -3.3657 2.2853 2.2853 2.3740 2.3740 4.2181 4.2181 4.3969 4.3969 5.1535 5.1535 5.3885 5.3885 7.7185 7.7185 7.9892 7.9892 9.0017 9.0017 9.6917 9.6917 k = 0.4931 0.3007 0.2976 ( 6436 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2586 -36.2586 -36.2555 -36.2555 -35.9751 -35.9751 -35.9719 -35.9719 -35.9663 -35.9663 -35.9631 -35.9631 -28.8617 -28.8617 -11.7152 -11.7152 -10.6217 -10.6217 -10.5416 -10.5416 -3.6981 -3.6981 -3.3658 -3.3658 2.2866 2.2866 2.3749 2.3749 4.2180 4.2180 4.3926 4.3926 5.1516 5.1516 5.3822 5.3822 7.7232 7.7232 7.9954 7.9954 9.0093 9.0093 9.6890 9.6890 k = 0.4861 0.3127 0.2976 ( 6432 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2586 -36.2586 -36.2555 -36.2555 -35.9751 -35.9751 -35.9719 -35.9719 -35.9664 -35.9664 -35.9631 -35.9631 -28.8617 -28.8617 -11.7152 -11.7152 -10.6215 -10.6215 -10.5419 -10.5419 -3.6965 -3.6965 -3.3662 -3.3662 2.2903 2.2903 2.3775 2.3775 4.2174 4.2174 4.3799 4.3799 5.1457 5.1457 5.3638 5.3638 7.7371 7.7371 8.0137 8.0137 9.0321 9.0321 9.6812 9.6812 k = 0.4792 0.3248 0.2976 ( 6438 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2586 -36.2586 -36.2556 -36.2556 -35.9751 -35.9751 -35.9719 -35.9719 -35.9664 -35.9664 -35.9631 -35.9631 -28.8617 -28.8617 -11.7153 -11.7153 -10.6213 -10.6213 -10.5424 -10.5424 -3.6937 -3.6937 -3.3668 -3.3668 2.2964 2.2964 2.3818 2.3818 4.2156 4.2156 4.3602 4.3602 5.1351 5.1351 5.3352 5.3352 7.7594 7.7594 8.0437 8.0437 9.0698 9.0698 9.6697 9.6697 k = 0.4722 0.3368 0.2976 ( 6446 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2586 -36.2586 -36.2556 -36.2556 -35.9752 -35.9752 -35.9718 -35.9718 -35.9664 -35.9664 -35.9631 -35.9631 -28.8616 -28.8616 -11.7154 -11.7154 -10.6210 -10.6210 -10.5431 -10.5431 -3.6898 -3.6898 -3.3677 -3.3677 2.3049 2.3049 2.3878 2.3878 4.2108 4.2108 4.3357 4.3357 5.1184 5.1184 5.2993 5.2993 7.7889 7.7889 8.0843 8.0843 9.1220 9.1220 9.6559 9.6559 k = 0.4653 0.3488 0.2976 ( 6442 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2585 -36.2585 -36.2556 -36.2556 -35.9752 -35.9752 -35.9717 -35.9717 -35.9665 -35.9665 -35.9631 -35.9631 -28.8616 -28.8616 -11.7155 -11.7155 -10.6206 -10.6206 -10.5440 -10.5440 -3.6849 -3.6849 -3.3688 -3.3688 2.3158 2.3158 2.3955 2.3955 4.1993 4.1993 4.3109 4.3109 5.0930 5.0930 5.2604 5.2604 7.8242 7.8242 8.1341 8.1341 9.1882 9.1882 9.6415 9.6415 k = 0.4583 0.3608 0.2976 ( 6438 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2585 -36.2585 -36.2556 -36.2556 -35.9752 -35.9752 -35.9717 -35.9717 -35.9666 -35.9666 -35.9631 -35.9631 -28.8616 -28.8616 -11.7156 -11.7156 -10.6202 -10.6202 -10.5451 -10.5451 -3.6790 -3.6790 -3.3702 -3.3702 2.3289 2.3289 2.4048 2.4048 4.1757 4.1757 4.2918 4.2918 5.0566 5.0566 5.2232 5.2232 7.8640 7.8640 8.1915 8.1915 9.2676 9.2676 9.6279 9.6279 k = 0.4514 0.3729 0.2976 ( 6434 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2584 -36.2584 -36.2557 -36.2557 -35.9752 -35.9752 -35.9716 -35.9716 -35.9666 -35.9666 -35.9630 -35.9630 -28.8615 -28.8615 -11.7157 -11.7157 -10.6196 -10.6196 -10.5463 -10.5463 -3.6721 -3.6721 -3.3720 -3.3720 2.3441 2.3441 2.4157 2.4157 4.1383 4.1383 4.2810 4.2810 5.0083 5.0083 5.1907 5.1907 7.9074 7.9074 8.2545 8.2545 9.3591 9.3591 9.6166 9.6166 k = 0.4444 0.3849 0.2976 ( 6430 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2584 -36.2584 -36.2557 -36.2557 -35.9753 -35.9753 -35.9715 -35.9715 -35.9667 -35.9667 -35.9630 -35.9630 -28.8615 -28.8615 -11.7159 -11.7159 -10.6190 -10.6190 -10.5476 -10.5476 -3.6643 -3.6643 -3.3740 -3.3740 2.3614 2.3614 2.4281 2.4281 4.0903 4.0903 4.2755 4.2755 4.9509 4.9509 5.1628 5.1628 7.9533 7.9533 8.3211 8.3211 9.4615 9.4615 9.6090 9.6090 k = 0.4375 0.3969 0.2976 ( 6434 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2584 -36.2584 -36.2558 -36.2558 -35.9753 -35.9753 -35.9714 -35.9714 -35.9668 -35.9668 -35.9630 -35.9630 -28.8614 -28.8614 -11.7161 -11.7161 -10.6184 -10.6184 -10.5491 -10.5491 -3.6555 -3.6555 -3.3764 -3.3764 2.3805 2.3805 2.4420 2.4420 4.0358 4.0358 4.2715 4.2715 4.8887 4.8887 5.1376 5.1376 8.0012 8.0012 8.3887 8.3887 9.5724 9.5724 9.6072 9.6072 k = 0.4306 0.4090 0.2976 ( 6438 PWs) bands (ev): -69.3153 -69.3153 -69.3147 -69.3147 -36.2583 -36.2583 -36.2558 -36.2558 -35.9754 -35.9754 -35.9713 -35.9713 -35.9669 -35.9669 -35.9630 -35.9630 -28.8614 -28.8614 -11.7162 -11.7162 -10.6177 -10.6177 -10.5507 -10.5507 -3.6459 -3.6459 -3.3792 -3.3792 2.4013 2.4013 2.4573 2.4573 3.9774 3.9774 4.2659 4.2659 4.8262 4.8262 5.1135 5.1135 8.0506 8.0506 8.4549 8.4549 9.6084 9.6084 9.6943 9.6943 k = 0.4236 0.4210 0.2976 ( 6442 PWs) bands (ev): -69.3153 -69.3153 -69.3148 -69.3148 -36.2583 -36.2583 -36.2559 -36.2559 -35.9754 -35.9754 -35.9711 -35.9711 -35.9671 -35.9671 -35.9629 -35.9629 -28.8613 -28.8613 -11.7165 -11.7165 -10.6170 -10.6170 -10.5523 -10.5523 -3.6356 -3.6356 -3.3823 -3.3823 2.4235 2.4235 2.4740 2.4740 3.9167 3.9167 4.2563 4.2563 4.7675 4.7675 5.0897 5.0897 8.1011 8.1011 8.5170 8.5170 9.6188 9.6188 9.8200 9.8200 k = 0.4167 0.4330 0.2976 ( 6446 PWs) bands (ev): -69.3153 -69.3153 -69.3148 -69.3148 -36.2582 -36.2582 -36.2560 -36.2560 -35.9755 -35.9755 -35.9710 -35.9710 -35.9672 -35.9672 -35.9629 -35.9629 -28.8613 -28.8613 -11.7167 -11.7167 -10.6162 -10.6162 -10.5540 -10.5540 -3.6246 -3.6246 -3.3859 -3.3859 2.4468 2.4468 2.4919 2.4919 3.8551 3.8551 4.2401 4.2401 4.7167 4.7167 5.0656 5.0656 8.1524 8.1524 8.5729 8.5729 9.6365 9.6365 9.9500 9.9500 k = 0.4097 0.4450 0.2976 ( 6450 PWs) bands (ev): -69.3153 -69.3153 -69.3148 -69.3148 -36.2581 -36.2581 -36.2560 -36.2560 -35.9755 -35.9755 -35.9709 -35.9709 -35.9673 -35.9673 -35.9629 -35.9629 -28.8612 -28.8612 -11.7169 -11.7169 -10.6155 -10.6155 -10.5557 -10.5557 -3.6129 -3.6129 -3.3899 -3.3899 2.4709 2.4709 2.5109 2.5109 3.7936 3.7936 4.2152 4.2152 4.6768 4.6768 5.0411 5.0411 8.2042 8.2042 8.6205 8.6205 9.6616 9.6616 10.0813 10.0813 k = 0.4028 0.4571 0.2976 ( 6450 PWs) bands (ev): -69.3153 -69.3153 -69.3148 -69.3148 -36.2581 -36.2581 -36.2561 -36.2561 -35.9756 -35.9756 -35.9707 -35.9707 -35.9674 -35.9674 -35.9628 -35.9628 -28.8612 -28.8612 -11.7171 -11.7171 -10.6147 -10.6147 -10.5574 -10.5574 -3.6008 -3.6008 -3.3944 -3.3944 2.4952 2.4952 2.5309 2.5309 3.7332 3.7332 4.1812 4.1812 4.6496 4.6496 5.0161 5.0161 8.2561 8.2561 8.6588 8.6588 9.6932 9.6932 10.2105 10.2105 k = 0.3958 0.4691 0.2976 ( 6442 PWs) bands (ev): -69.3153 -69.3153 -69.3148 -69.3148 -36.2580 -36.2580 -36.2562 -36.2562 -35.9756 -35.9756 -35.9706 -35.9706 -35.9676 -35.9676 -35.9628 -35.9628 -28.8611 -28.8611 -11.7173 -11.7173 -10.6140 -10.6140 -10.5590 -10.5590 -3.5882 -3.5882 -3.3995 -3.3995 2.5193 2.5193 2.5518 2.5518 3.6746 3.6746 4.1392 4.1392 4.6347 4.6347 4.9906 4.9906 8.3079 8.3079 8.6875 8.6875 9.7294 9.7294 10.3326 10.3326 k = 0.3889 0.4811 0.2976 ( 6442 PWs) bands (ev): -69.3152 -69.3152 -69.3149 -69.3149 -36.2579 -36.2579 -36.2563 -36.2563 -35.9756 -35.9756 -35.9704 -35.9704 -35.9677 -35.9677 -35.9628 -35.9628 -28.8611 -28.8611 -11.7176 -11.7176 -10.6134 -10.6134 -10.5605 -10.5605 -3.5752 -3.5752 -3.4050 -3.4050 2.5426 2.5426 2.5734 2.5734 3.6188 3.6188 4.0921 4.0921 4.6302 4.6302 4.9648 4.9648 8.3589 8.3589 8.7071 8.7071 9.7677 9.7677 10.4401 10.4401 k = 0.3819 0.4932 0.2976 ( 6458 PWs) bands (ev): -69.3152 -69.3152 -69.3149 -69.3149 -36.2578 -36.2578 -36.2564 -36.2564 -35.9757 -35.9757 -35.9703 -35.9703 -35.9679 -35.9679 -35.9628 -35.9628 -28.8610 -28.8610 -11.7178 -11.7178 -10.6127 -10.6127 -10.5620 -10.5620 -3.5621 -3.5621 -3.4112 -3.4112 2.5645 2.5645 2.5951 2.5951 3.5665 3.5665 4.0431 4.0431 4.6337 4.6337 4.9388 4.9388 8.4087 8.4087 8.7185 8.7185 9.8052 9.8052 10.5239 10.5239 k = 0.3750 0.5052 0.2976 ( 6454 PWs) bands (ev): -69.3152 -69.3152 -69.3149 -69.3149 -36.2577 -36.2577 -36.2565 -36.2565 -35.9757 -35.9757 -35.9702 -35.9702 -35.9680 -35.9680 -35.9627 -35.9627 -28.8610 -28.8610 -11.7180 -11.7180 -10.6122 -10.6122 -10.5633 -10.5633 -3.5488 -3.5488 -3.4179 -3.4179 2.5846 2.5846 2.6164 2.6164 3.5186 3.5186 3.9953 3.9953 4.6432 4.6432 4.9128 4.9128 8.4565 8.4565 8.7230 8.7230 9.8394 9.8394 10.5768 10.5768 k = 0.3681 0.5172 0.2976 ( 6446 PWs) bands (ev): -69.3152 -69.3152 -69.3149 -69.3149 -36.2576 -36.2576 -36.2566 -36.2566 -35.9757 -35.9757 -35.9700 -35.9700 -35.9681 -35.9681 -35.9627 -35.9627 -28.8609 -28.8609 -11.7182 -11.7182 -10.6117 -10.6117 -10.5644 -10.5644 -3.5355 -3.5355 -3.4253 -3.4253 2.6025 2.6025 2.6365 2.6365 3.4759 3.4759 3.9511 3.9511 4.6570 4.6570 4.8869 4.8869 8.5017 8.5017 8.7218 8.7218 9.8685 9.8685 10.6004 10.6004 k = 0.3611 0.5292 0.2976 ( 6446 PWs) bands (ev): -69.3152 -69.3152 -69.3149 -69.3149 -36.2575 -36.2575 -36.2567 -36.2567 -35.9757 -35.9757 -35.9699 -35.9699 -35.9683 -35.9683 -35.9627 -35.9627 -28.8609 -28.8609 -11.7183 -11.7183 -10.6114 -10.6114 -10.5654 -10.5654 -3.5223 -3.5223 -3.4333 -3.4333 2.6178 2.6178 2.6543 2.6543 3.4394 3.4394 3.9124 3.9124 4.6739 4.6739 4.8612 4.8612 8.5434 8.5434 8.7159 8.7159 9.8913 9.8913 10.6041 10.6041 k = 0.3542 0.5413 0.2976 ( 6444 PWs) bands (ev): -69.3151 -69.3151 -69.3150 -69.3150 -36.2574 -36.2574 -36.2568 -36.2568 -35.9757 -35.9757 -35.9698 -35.9698 -35.9684 -35.9684 -35.9627 -35.9627 -28.8609 -28.8609 -11.7185 -11.7185 -10.6111 -10.6111 -10.5661 -10.5661 -3.5093 -3.5093 -3.4420 -3.4420 2.6301 2.6301 2.6691 2.6691 3.4100 3.4100 3.8808 3.8808 4.6929 4.6929 4.8362 4.8362 8.5807 8.5807 8.7063 8.7063 9.9076 9.9076 10.5982 10.5982 k = 0.3472 0.5533 0.2976 ( 6452 PWs) bands (ev): -69.3151 -69.3151 -69.3150 -69.3150 -36.2573 -36.2573 -36.2569 -36.2569 -35.9758 -35.9758 -35.9697 -35.9697 -35.9685 -35.9685 -35.9627 -35.9627 -28.8608 -28.8608 -11.7186 -11.7186 -10.6109 -10.6109 -10.5666 -10.5666 -3.4968 -3.4968 -3.4513 -3.4513 2.6391 2.6391 2.6800 2.6800 3.3884 3.3884 3.8576 3.8576 4.7132 4.7132 4.8120 4.8120 8.6129 8.6129 8.6938 8.6938 9.9180 9.9180 10.5900 10.5900 k = 0.3403 0.5653 0.2976 ( 6456 PWs) bands (ev): -69.3151 -69.3151 -69.3150 -69.3150 -36.2572 -36.2572 -36.2570 -36.2570 -35.9758 -35.9758 -35.9696 -35.9696 -35.9686 -35.9686 -35.9627 -35.9627 -28.8608 -28.8608 -11.7186 -11.7186 -10.6108 -10.6108 -10.5670 -10.5670 -3.4849 -3.4849 -3.4612 -3.4612 2.6444 2.6444 2.6867 2.6867 3.3752 3.3752 3.8434 3.8434 4.7331 4.7331 4.7899 4.7899 8.6390 8.6390 8.6796 8.6796 9.9234 9.9234 10.5837 10.5837 k = 0.3333 0.5774 0.2976 ( 6468 PWs) bands (ev): -69.3151 -69.3151 -69.3151 -69.3151 -36.2572 -36.2572 -36.2571 -36.2571 -35.9758 -35.9758 -35.9696 -35.9696 -35.9686 -35.9686 -35.9627 -35.9627 -28.8608 -28.8608 -11.7187 -11.7187 -10.6108 -10.6108 -10.5671 -10.5671 -3.4764 -3.4764 -3.4690 -3.4690 2.6462 2.6462 2.6888 2.6888 3.3709 3.3709 3.8387 3.8387 4.7450 4.7450 4.7774 4.7774 8.6536 8.6536 8.6688 8.6688 9.9250 9.9250 10.5814 10.5814 k = 0.3333 0.5774 0.2976 ( 6468 PWs) bands (ev): -69.3151 -69.3151 -69.3151 -69.3151 -36.2572 -36.2572 -36.2571 -36.2571 -35.9758 -35.9758 -35.9696 -35.9696 -35.9686 -35.9686 -35.9627 -35.9627 -28.8608 -28.8608 -11.7187 -11.7187 -10.6108 -10.6108 -10.5671 -10.5671 -3.4764 -3.4764 -3.4690 -3.4690 2.6462 2.6462 2.6888 2.6888 3.3709 3.3709 3.8387 3.8387 4.7450 4.7450 4.7774 4.7774 8.6536 8.6536 8.6688 8.6688 9.9250 9.9250 10.5814 10.5814 k = 0.3264 0.5653 0.2976 ( 6460 PWs) bands (ev): -69.3151 -69.3151 -69.3150 -69.3150 -36.2572 -36.2572 -36.2570 -36.2570 -35.9758 -35.9758 -35.9696 -35.9696 -35.9686 -35.9686 -35.9627 -35.9627 -28.8608 -28.8608 -11.7186 -11.7186 -10.6108 -10.6108 -10.5670 -10.5670 -3.4849 -3.4849 -3.4612 -3.4612 2.6446 2.6446 2.6868 2.6868 3.3751 3.3751 3.8433 3.8433 4.7333 4.7333 4.7897 4.7897 8.6413 8.6413 8.6774 8.6774 9.9238 9.9238 10.5836 10.5836 k = 0.3194 0.5533 0.2976 ( 6444 PWs) bands (ev): -69.3151 -69.3151 -69.3150 -69.3150 -36.2573 -36.2573 -36.2569 -36.2569 -35.9758 -35.9758 -35.9697 -35.9697 -35.9685 -35.9685 -35.9627 -35.9627 -28.8608 -28.8608 -11.7186 -11.7186 -10.6108 -10.6108 -10.5667 -10.5667 -3.4970 -3.4970 -3.4514 -3.4514 2.6401 2.6401 2.6813 2.6813 3.3876 3.3876 3.8570 3.8570 4.7139 4.7139 4.8106 4.8106 8.6227 8.6227 8.6852 8.6852 9.9211 9.9211 10.5895 10.5895 k = 0.3125 0.5413 0.2976 ( 6440 PWs) bands (ev): -69.3151 -69.3151 -69.3150 -69.3150 -36.2575 -36.2575 -36.2567 -36.2567 -35.9757 -35.9757 -35.9698 -35.9698 -35.9684 -35.9684 -35.9627 -35.9627 -28.8609 -28.8609 -11.7184 -11.7184 -10.6109 -10.6109 -10.5663 -10.5663 -3.5100 -3.5100 -3.4424 -3.4424 2.6335 2.6335 2.6731 2.6731 3.4075 3.4075 3.8789 3.8789 4.6941 4.6941 4.8328 4.8328 8.6030 8.6030 8.6880 8.6880 9.9179 9.9179 10.5968 10.5968 k = 0.3056 0.5292 0.2976 ( 6444 PWs) bands (ev): -69.3152 -69.3152 -69.3149 -69.3149 -36.2576 -36.2576 -36.2566 -36.2566 -35.9757 -35.9757 -35.9699 -35.9699 -35.9683 -35.9683 -35.9627 -35.9627 -28.8609 -28.8609 -11.7182 -11.7182 -10.6109 -10.6109 -10.5657 -10.5657 -3.5238 -3.5238 -3.4345 -3.4345 2.6255 2.6255 2.6634 2.6634 3.4339 3.4339 3.9083 3.9083 4.6751 4.6751 4.8547 4.8547 8.5828 8.5828 8.6862 8.6862 9.9148 9.9148 10.6025 10.6025 k = 0.2986 0.5172 0.2976 ( 6448 PWs) bands (ev): -69.3152 -69.3152 -69.3149 -69.3149 -36.2577 -36.2577 -36.2565 -36.2565 -35.9757 -35.9757 -35.9700 -35.9700 -35.9681 -35.9681 -35.9627 -35.9627 -28.8610 -28.8610 -11.7179 -11.7179 -10.6108 -10.6108 -10.5650 -10.5650 -3.5384 -3.5384 -3.4276 -3.4276 2.6170 2.6170 2.6530 2.6530 3.4659 3.4659 3.9443 3.9443 4.6573 4.6573 4.8758 4.8758 8.5625 8.5625 8.6808 8.6808 9.9126 9.9126 10.6024 10.6024 k = 0.2917 0.5052 0.2976 ( 6450 PWs) bands (ev): -69.3152 -69.3152 -69.3149 -69.3149 -36.2578 -36.2578 -36.2564 -36.2564 -35.9757 -35.9757 -35.9702 -35.9702 -35.9680 -35.9680 -35.9627 -35.9627 -28.8610 -28.8610 -11.7176 -11.7176 -10.6107 -10.6107 -10.5642 -10.5642 -3.5537 -3.5537 -3.4220 -3.4220 2.6088 2.6088 2.6431 2.6431 3.5028 3.5028 3.9859 3.9859 4.6407 4.6407 4.8959 4.8959 8.5424 8.5424 8.6726 8.6726 9.9118 9.9118 10.5926 10.5926 k = 0.2847 0.4932 0.2976 ( 6444 PWs) bands (ev): -69.3153 -69.3153 -69.3148 -69.3148 -36.2579 -36.2579 -36.2562 -36.2562 -35.9757 -35.9757 -35.9703 -35.9703 -35.9678 -35.9678 -35.9628 -35.9628 -28.8611 -28.8611 -11.7172 -11.7172 -10.6104 -10.6104 -10.5634 -10.5634 -3.5697 -3.5697 -3.4178 -3.4178 2.6016 2.6016 2.6342 2.6342 3.5438 3.5438 4.0322 4.0322 4.6256 4.6256 4.9145 4.9145 8.5229 8.5229 8.6630 8.6630 9.9128 9.9128 10.5705 10.5705 k = 0.2778 0.4811 0.2976 ( 6452 PWs) bands (ev): -69.3153 -69.3153 -69.3148 -69.3148 -36.2581 -36.2581 -36.2561 -36.2561 -35.9756 -35.9756 -35.9705 -35.9705 -35.9677 -35.9677 -35.9628 -35.9628 -28.8612 -28.8612 -11.7167 -11.7167 -10.6100 -10.6100 -10.5625 -10.5625 -3.5863 -3.5863 -3.4149 -3.4149 2.5961 2.5961 2.6270 2.6270 3.5882 3.5882 4.0825 4.0825 4.6120 4.6120 4.9314 4.9314 8.5041 8.5041 8.6529 8.6529 9.9157 9.9157 10.5356 10.5356 k = 0.2708 0.4691 0.2976 ( 6448 PWs) bands (ev): -69.3153 -69.3153 -69.3148 -69.3148 -36.2582 -36.2582 -36.2560 -36.2560 -35.9756 -35.9756 -35.9706 -35.9706 -35.9676 -35.9676 -35.9628 -35.9628 -28.8613 -28.8613 -11.7161 -11.7161 -10.6095 -10.6095 -10.5615 -10.5615 -3.6036 -3.6036 -3.4135 -3.4135 2.5926 2.5926 2.6222 2.6222 3.6357 3.6357 4.1361 4.1361 4.6001 4.6001 4.9464 4.9464 8.4865 8.4865 8.6434 8.6434 9.9207 9.9207 10.4895 10.4895 k = 0.2639 0.4571 0.2976 ( 6452 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2583 -36.2583 -36.2558 -36.2558 -35.9756 -35.9756 -35.9708 -35.9708 -35.9674 -35.9674 -35.9628 -35.9628 -28.8614 -28.8614 -11.7155 -11.7155 -10.6088 -10.6088 -10.5606 -10.5606 -3.6215 -3.6215 -3.4137 -3.4137 2.5916 2.5916 2.6202 2.6202 3.6857 3.6857 4.1922 4.1922 4.5900 4.5900 4.9593 4.9593 8.4702 8.4702 8.6354 8.6354 9.9278 9.9278 10.4352 10.4352 k = 0.2569 0.4450 0.2976 ( 6460 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2585 -36.2585 -36.2557 -36.2557 -35.9755 -35.9755 -35.9709 -35.9709 -35.9673 -35.9673 -35.9629 -35.9629 -28.8616 -28.8616 -11.7147 -11.7147 -10.6079 -10.6079 -10.5596 -10.5596 -3.6399 -3.6399 -3.4154 -3.4154 2.5929 2.5929 2.6216 2.6216 3.7378 3.7378 4.2502 4.2502 4.5817 4.5817 4.9699 4.9699 8.4556 8.4556 8.6297 8.6297 9.9368 9.9368 10.3756 10.3756 k = 0.2500 0.4330 0.2976 ( 6464 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2586 -36.2586 -36.2556 -36.2556 -35.9755 -35.9755 -35.9711 -35.9711 -35.9671 -35.9671 -35.9629 -35.9629 -28.8617 -28.8617 -11.7139 -11.7139 -10.6069 -10.6069 -10.5586 -10.5586 -3.6588 -3.6588 -3.4186 -3.4186 2.5964 2.5964 2.6270 2.6270 3.7918 3.7918 4.3095 4.3095 4.5756 4.5756 4.9779 4.9779 8.4429 8.4429 8.6271 8.6271 9.9475 9.9475 10.3132 10.3132 k = 0.2431 0.4210 0.2976 ( 6468 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2587 -36.2587 -36.2554 -36.2554 -35.9754 -35.9754 -35.9712 -35.9712 -35.9670 -35.9670 -35.9630 -35.9630 -28.8619 -28.8619 -11.7130 -11.7130 -10.6057 -10.6057 -10.5576 -10.5576 -3.6782 -3.6782 -3.4235 -3.4235 2.6018 2.6018 2.6372 2.6372 3.8473 3.8473 4.3695 4.3695 4.5717 4.5717 4.9835 4.9835 8.4323 8.4323 8.6280 8.6280 9.9593 9.9593 10.2499 10.2499 k = 0.2361 0.4090 0.2976 ( 6474 PWs) bands (ev): -69.3155 -69.3155 -69.3146 -69.3146 -36.2589 -36.2589 -36.2553 -36.2553 -35.9754 -35.9754 -35.9714 -35.9714 -35.9669 -35.9669 -35.9630 -35.9630 -28.8620 -28.8620 -11.7120 -11.7120 -10.6044 -10.6044 -10.5565 -10.5565 -3.6980 -3.6980 -3.4298 -3.4298 2.6090 2.6090 2.6523 2.6523 3.9040 3.9040 4.4293 4.4293 4.5708 4.5708 4.9865 4.9865 8.4241 8.4241 8.6330 8.6330 9.9718 9.9718 10.1869 10.1869 k = 0.2292 0.3969 0.2976 ( 6466 PWs) bands (ev): -69.3155 -69.3155 -69.3146 -69.3146 -36.2590 -36.2590 -36.2551 -36.2551 -35.9753 -35.9753 -35.9715 -35.9715 -35.9667 -35.9667 -35.9630 -35.9630 -28.8622 -28.8622 -11.7110 -11.7110 -10.6029 -10.6029 -10.5555 -10.5555 -3.7181 -3.7181 -3.4377 -3.4377 2.6181 2.6181 2.6725 2.6725 3.9616 3.9616 4.4868 4.4868 4.5745 4.5745 4.9869 4.9869 8.4186 8.4186 8.6424 8.6424 9.9837 9.9837 10.1256 10.1256 k = 0.2222 0.3849 0.2976 ( 6468 PWs) bands (ev): -69.3155 -69.3155 -69.3146 -69.3146 -36.2591 -36.2591 -36.2550 -36.2550 -35.9753 -35.9753 -35.9716 -35.9716 -35.9666 -35.9666 -35.9631 -35.9631 -28.8624 -28.8624 -11.7098 -11.7098 -10.6012 -10.6012 -10.5545 -10.5545 -3.7384 -3.7384 -3.4471 -3.4471 2.6289 2.6289 2.6977 2.6977 4.0198 4.0198 4.5346 4.5346 4.5898 4.5898 4.9850 4.9850 8.4158 8.4158 8.6565 8.6565 9.9927 9.9927 10.0675 10.0675 k = 0.2153 0.3729 0.2976 ( 6468 PWs) bands (ev): -69.3156 -69.3156 -69.3145 -69.3145 -36.2592 -36.2592 -36.2549 -36.2549 -35.9752 -35.9752 -35.9717 -35.9717 -35.9665 -35.9665 -35.9631 -35.9631 -28.8626 -28.8626 -11.7086 -11.7086 -10.5995 -10.5995 -10.5534 -10.5534 -3.7590 -3.7590 -3.4578 -3.4578 2.6417 2.6417 2.7277 2.7277 4.0783 4.0783 4.5592 4.5592 4.6301 4.6301 4.9810 4.9810 8.4161 8.4161 8.6753 8.6753 9.9868 9.9868 10.0236 10.0236 k = 0.2083 0.3608 0.2976 ( 6452 PWs) bands (ev): -69.3156 -69.3156 -69.3145 -69.3145 -36.2593 -36.2593 -36.2547 -36.2547 -35.9752 -35.9752 -35.9718 -35.9718 -35.9664 -35.9664 -35.9631 -35.9631 -28.8628 -28.8628 -11.7073 -11.7073 -10.5975 -10.5975 -10.5523 -10.5523 -3.7798 -3.7798 -3.4699 -3.4699 2.6563 2.6563 2.7624 2.7624 4.1367 4.1367 4.5724 4.5724 4.6831 4.6831 4.9754 4.9754 8.4195 8.4195 8.6989 8.6989 9.9429 9.9429 10.0151 10.0151 k = 0.2014 0.3488 0.2976 ( 6448 PWs) bands (ev): -69.3156 -69.3156 -69.3145 -69.3145 -36.2595 -36.2595 -36.2546 -36.2546 -35.9751 -35.9751 -35.9720 -35.9720 -35.9662 -35.9662 -35.9632 -35.9632 -28.8631 -28.8631 -11.7060 -11.7060 -10.5955 -10.5955 -10.5512 -10.5512 -3.8006 -3.8006 -3.4832 -3.4832 2.6727 2.6727 2.8017 2.8017 4.1945 4.1945 4.5854 4.5854 4.7370 4.7370 4.9689 4.9689 8.4261 8.4261 8.7273 8.7273 9.8907 9.8907 10.0100 10.0100 k = 0.1944 0.3368 0.2976 ( 6452 PWs) bands (ev): -69.3157 -69.3157 -69.3144 -69.3144 -36.2596 -36.2596 -36.2544 -36.2544 -35.9750 -35.9750 -35.9721 -35.9721 -35.9661 -35.9661 -35.9632 -35.9632 -28.8633 -28.8633 -11.7046 -11.7046 -10.5934 -10.5934 -10.5501 -10.5501 -3.8215 -3.8215 -3.4976 -3.4976 2.6906 2.6906 2.8454 2.8454 4.2512 4.2512 4.6010 4.6010 4.7876 4.7876 4.9635 4.9635 8.4361 8.4361 8.7601 8.7601 9.8389 9.8389 9.9974 9.9974 k = 0.1875 0.3248 0.2976 ( 6460 PWs) bands (ev): -69.3157 -69.3157 -69.3144 -69.3144 -36.2597 -36.2597 -36.2543 -36.2543 -35.9750 -35.9750 -35.9722 -35.9722 -35.9660 -35.9660 -35.9633 -35.9633 -28.8636 -28.8636 -11.7032 -11.7032 -10.5913 -10.5913 -10.5489 -10.5489 -3.8423 -3.8423 -3.5131 -3.5131 2.7100 2.7100 2.8932 2.8932 4.3061 4.3061 4.6203 4.6203 4.8304 4.8304 4.9630 4.9630 8.4496 8.4496 8.7971 8.7971 9.7884 9.7884 9.9753 9.9753 k = 0.1806 0.3127 0.2976 ( 6452 PWs) bands (ev): -69.3157 -69.3157 -69.3144 -69.3144 -36.2598 -36.2598 -36.2542 -36.2542 -35.9749 -35.9749 -35.9723 -35.9723 -35.9659 -35.9659 -35.9633 -35.9633 -28.8638 -28.8638 -11.7017 -11.7017 -10.5891 -10.5891 -10.5476 -10.5476 -3.8630 -3.8630 -3.5294 -3.5294 2.7306 2.7306 2.9450 2.9450 4.3585 4.3585 4.6439 4.6439 4.8578 4.8578 4.9752 4.9752 8.4665 8.4665 8.8378 8.8378 9.7392 9.7392 9.9436 9.9436 k = 0.1736 0.3007 0.2976 ( 6450 PWs) bands (ev): -69.3157 -69.3157 -69.3144 -69.3144 -36.2599 -36.2599 -36.2540 -36.2540 -35.9748 -35.9748 -35.9724 -35.9724 -35.9658 -35.9658 -35.9633 -35.9633 -28.8641 -28.8641 -11.7002 -11.7002 -10.5869 -10.5869 -10.5462 -10.5462 -3.8835 -3.8835 -3.5466 -3.5466 2.7522 2.7522 3.0004 3.0004 4.4079 4.4079 4.6722 4.6722 4.8661 4.8661 5.0040 5.0040 8.4868 8.4868 8.8816 8.8816 9.6917 9.6917 9.9034 9.9034 k = 0.1667 0.2887 0.2976 ( 6454 PWs) bands (ev): -69.3158 -69.3158 -69.3143 -69.3143 -36.2600 -36.2600 -36.2539 -36.2539 -35.9748 -35.9748 -35.9725 -35.9725 -35.9657 -35.9657 -35.9634 -35.9634 -28.8643 -28.8643 -11.6987 -11.6987 -10.5848 -10.5848 -10.5446 -10.5446 -3.9037 -3.9037 -3.5644 -3.5644 2.7746 2.7746 3.0591 3.0591 4.4539 4.4539 4.7050 4.7050 4.8630 4.8630 5.0425 5.0425 8.5106 8.5106 8.9272 8.9272 9.6464 9.6464 9.8564 9.8564 k = 0.1597 0.2766 0.2976 ( 6448 PWs) bands (ev): -69.3158 -69.3158 -69.3143 -69.3143 -36.2601 -36.2601 -36.2538 -36.2538 -35.9747 -35.9747 -35.9726 -35.9726 -35.9656 -35.9656 -35.9634 -35.9634 -28.8646 -28.8646 -11.6972 -11.6972 -10.5828 -10.5828 -10.5430 -10.5430 -3.9237 -3.9237 -3.5827 -3.5827 2.7977 2.7977 3.1206 3.1206 4.4966 4.4966 4.7403 4.7403 4.8574 4.8574 5.0836 5.0836 8.5377 8.5377 8.9733 8.9733 9.6046 9.6046 9.8043 9.8043 k = 0.1528 0.2646 0.2976 ( 6448 PWs) bands (ev): -69.3158 -69.3158 -69.3143 -69.3143 -36.2602 -36.2602 -36.2537 -36.2537 -35.9747 -35.9747 -35.9727 -35.9727 -35.9655 -35.9655 -35.9635 -35.9635 -28.8649 -28.8649 -11.6957 -11.6957 -10.5808 -10.5808 -10.5412 -10.5412 -3.9432 -3.9432 -3.6014 -3.6014 2.8210 2.8210 3.1845 3.1845 4.5365 4.5365 4.7722 4.7722 4.8581 4.8581 5.1244 5.1244 8.5680 8.5680 9.0172 9.0172 9.5685 9.5685 9.7487 9.7487 k = 0.1458 0.2526 0.2976 ( 6440 PWs) bands (ev): -69.3159 -69.3159 -69.3142 -69.3142 -36.2603 -36.2603 -36.2535 -36.2535 -35.9746 -35.9746 -35.9728 -35.9728 -35.9654 -35.9654 -35.9635 -35.9635 -28.8651 -28.8651 -11.6941 -11.6941 -10.5790 -10.5790 -10.5392 -10.5392 -3.9624 -3.9624 -3.6204 -3.6204 2.8445 2.8445 3.2502 3.2502 4.5747 4.5747 4.7887 4.7887 4.8779 4.8779 5.1634 5.1634 8.6012 8.6012 9.0553 9.0553 9.5418 9.5418 9.6909 9.6909 k = 0.1389 0.2406 0.2976 ( 6440 PWs) bands (ev): -69.3159 -69.3159 -69.3142 -69.3142 -36.2604 -36.2604 -36.2534 -36.2534 -35.9746 -35.9746 -35.9728 -35.9728 -35.9654 -35.9654 -35.9635 -35.9635 -28.8654 -28.8654 -11.6926 -11.6926 -10.5774 -10.5774 -10.5371 -10.5371 -3.9811 -3.9811 -3.6394 -3.6394 2.8679 2.8679 3.3170 3.3170 4.6119 4.6119 4.7895 4.7895 4.9170 4.9170 5.2000 5.2000 8.6370 8.6370 9.0823 9.0823 9.5291 9.5291 9.6320 9.6320 k = 0.1319 0.2285 0.2976 ( 6434 PWs) bands (ev): -69.3159 -69.3159 -69.3142 -69.3142 -36.2605 -36.2605 -36.2533 -36.2533 -35.9745 -35.9745 -35.9729 -35.9729 -35.9653 -35.9653 -35.9635 -35.9635 -28.8657 -28.8657 -11.6911 -11.6911 -10.5759 -10.5759 -10.5348 -10.5348 -3.9992 -3.9992 -3.6585 -3.6585 2.8909 2.8909 3.3840 3.3840 4.6491 4.6491 4.7858 4.7858 4.9645 4.9645 5.2341 5.2341 8.6751 8.6751 9.0930 9.0930 9.5339 9.5339 9.5743 9.5743 k = 0.1250 0.2165 0.2976 ( 6438 PWs) bands (ev): -69.3159 -69.3159 -69.3142 -69.3142 -36.2606 -36.2606 -36.2532 -36.2532 -35.9745 -35.9745 -35.9730 -35.9730 -35.9652 -35.9652 -35.9635 -35.9635 -28.8659 -28.8659 -11.6896 -11.6896 -10.5746 -10.5746 -10.5323 -10.5323 -4.0167 -4.0167 -3.6775 -3.6775 2.9134 2.9134 3.4505 3.4505 4.6865 4.6865 4.7831 4.7831 5.0150 5.0150 5.2655 5.2655 8.7147 8.7147 9.0854 9.0854 9.5101 9.5101 9.5659 9.5659 k = 0.1181 0.2045 0.2976 ( 6426 PWs) bands (ev): -69.3159 -69.3159 -69.3141 -69.3141 -36.2607 -36.2607 -36.2531 -36.2531 -35.9744 -35.9744 -35.9730 -35.9730 -35.9652 -35.9652 -35.9636 -35.9636 -28.8662 -28.8662 -11.6881 -11.6881 -10.5735 -10.5735 -10.5297 -10.5297 -4.0335 -4.0335 -3.6962 -3.6962 2.9352 2.9352 3.5155 3.5155 4.7243 4.7243 4.7843 4.7843 5.0663 5.0663 5.2941 5.2941 8.7552 8.7552 9.0622 9.0622 9.4533 9.4533 9.6090 9.6090 k = 0.1111 0.1925 0.2976 ( 6434 PWs) bands (ev): -69.3160 -69.3160 -69.3141 -69.3141 -36.2607 -36.2607 -36.2530 -36.2530 -35.9744 -35.9744 -35.9731 -35.9731 -35.9651 -35.9651 -35.9636 -35.9636 -28.8664 -28.8664 -11.6867 -11.6867 -10.5725 -10.5725 -10.5271 -10.5271 -4.0497 -4.0497 -3.7145 -3.7145 2.9561 2.9561 3.5776 3.5776 4.7607 4.7607 4.7929 4.7929 5.1171 5.1171 5.3201 5.3201 8.7953 8.7953 9.0273 9.0273 9.3974 9.3974 9.6651 9.6651 k = 0.1042 0.1804 0.2976 ( 6434 PWs) bands (ev): -69.3160 -69.3160 -69.3141 -69.3141 -36.2608 -36.2608 -36.2529 -36.2529 -35.9743 -35.9743 -35.9731 -35.9731 -35.9651 -35.9651 -35.9636 -35.9636 -28.8667 -28.8667 -11.6854 -11.6854 -10.5717 -10.5717 -10.5243 -10.5243 -4.0651 -4.0651 -3.7323 -3.7323 2.9761 2.9761 3.6359 3.6359 4.7886 4.7886 4.8175 4.8175 5.1667 5.1667 5.3434 5.3434 8.8337 8.8337 8.9844 8.9844 9.3446 9.3446 9.7286 9.7286 k = 0.0972 0.1684 0.2976 ( 6446 PWs) bands (ev): -69.3160 -69.3160 -69.3141 -69.3141 -36.2609 -36.2609 -36.2528 -36.2528 -35.9743 -35.9743 -35.9732 -35.9732 -35.9651 -35.9651 -35.9636 -35.9636 -28.8669 -28.8669 -11.6841 -11.6841 -10.5710 -10.5710 -10.5216 -10.5216 -4.0797 -4.0797 -3.7495 -3.7495 2.9948 2.9948 3.6892 3.6892 4.8108 4.8108 4.8560 4.8560 5.2145 5.2145 5.3643 5.3643 8.8676 8.8676 8.9357 8.9357 9.2968 9.2968 9.7956 9.7956 k = 0.0903 0.1564 0.2976 ( 6448 PWs) bands (ev): -69.3160 -69.3160 -69.3141 -69.3141 -36.2610 -36.2610 -36.2527 -36.2527 -35.9743 -35.9743 -35.9732 -35.9732 -35.9651 -35.9651 -35.9636 -35.9636 -28.8672 -28.8672 -11.6829 -11.6829 -10.5705 -10.5705 -10.5188 -10.5188 -4.0935 -4.0935 -3.7659 -3.7659 3.0124 3.0124 3.7365 3.7365 4.8376 4.8376 4.8986 4.8986 5.2601 5.2601 5.3829 5.3829 8.8776 8.8776 8.8987 8.8987 9.2568 9.2568 9.8627 9.8627 k = 0.0833 0.1443 0.2976 ( 6438 PWs) bands (ev): -69.3160 -69.3160 -69.3141 -69.3141 -36.2610 -36.2610 -36.2526 -36.2526 -35.9743 -35.9743 -35.9732 -35.9732 -35.9650 -35.9650 -35.9636 -35.9636 -28.8674 -28.8674 -11.6817 -11.6817 -10.5700 -10.5700 -10.5161 -10.5161 -4.1064 -4.1064 -3.7816 -3.7816 3.0287 3.0287 3.7773 3.7773 4.8716 4.8716 4.9428 4.9428 5.3029 5.3029 5.3994 5.3994 8.8216 8.8216 8.9116 8.9116 9.2284 9.2284 9.9134 9.9134 k = 0.0764 0.1323 0.2976 ( 6454 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2611 -36.2611 -36.2526 -36.2526 -35.9743 -35.9743 -35.9732 -35.9732 -35.9650 -35.9650 -35.9636 -35.9636 -28.8676 -28.8676 -11.6806 -11.6806 -10.5696 -10.5696 -10.5135 -10.5135 -4.1184 -4.1184 -3.7964 -3.7964 3.0437 3.0437 3.8112 3.8112 4.9128 4.9128 4.9879 4.9879 5.3425 5.3425 5.4141 5.4141 8.7591 8.7591 8.9113 8.9113 9.2147 9.2147 9.8132 9.8132 k = 0.0694 0.1203 0.2976 ( 6456 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2611 -36.2611 -36.2525 -36.2525 -35.9743 -35.9743 -35.9733 -35.9733 -35.9650 -35.9650 -35.9636 -35.9636 -28.8678 -28.8678 -11.6796 -11.6796 -10.5693 -10.5693 -10.5109 -10.5109 -4.1295 -4.1295 -3.8102 -3.8102 3.0572 3.0572 3.8386 3.8386 4.9605 4.9605 5.0332 5.0332 5.3786 5.3786 5.4272 5.4272 8.6926 8.6926 8.8959 8.8959 9.2151 9.2151 9.7176 9.7176 k = 0.0625 0.1083 0.2976 ( 6468 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2612 -36.2612 -36.2525 -36.2525 -35.9743 -35.9743 -35.9733 -35.9733 -35.9650 -35.9650 -35.9636 -35.9636 -28.8679 -28.8679 -11.6787 -11.6787 -10.5691 -10.5691 -10.5086 -10.5086 -4.1396 -4.1396 -3.8229 -3.8229 3.0695 3.0695 3.8599 3.8599 5.0131 5.0131 5.0782 5.0782 5.4109 5.4109 5.4388 5.4388 8.6228 8.6228 8.8697 8.8697 9.2250 9.2250 9.6318 9.6318 k = 0.0556 0.0962 0.2976 ( 6464 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2612 -36.2612 -36.2524 -36.2524 -35.9743 -35.9743 -35.9733 -35.9733 -35.9650 -35.9650 -35.9636 -35.9636 -28.8681 -28.8681 -11.6778 -11.6778 -10.5689 -10.5689 -10.5064 -10.5064 -4.1487 -4.1487 -3.8344 -3.8344 3.0803 3.0803 3.8760 3.8760 5.0690 5.0690 5.1222 5.1222 5.4391 5.4391 5.4493 5.4493 8.5508 8.5508 8.8379 8.8379 9.2390 9.2390 9.5564 9.5564 k = 0.0486 0.0842 0.2976 ( 6460 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2613 -36.2613 -36.2524 -36.2524 -35.9743 -35.9743 -35.9733 -35.9733 -35.9650 -35.9650 -35.9636 -35.9636 -28.8682 -28.8682 -11.6771 -11.6771 -10.5688 -10.5688 -10.5044 -10.5044 -4.1568 -4.1568 -3.8448 -3.8448 3.0898 3.0898 3.8878 3.8878 5.1258 5.1258 5.1646 5.1646 5.4586 5.4586 5.4636 5.4636 8.4782 8.4782 8.8044 8.8044 9.2535 9.2535 9.4917 9.4917 k = 0.0417 0.0722 0.2976 ( 6456 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2613 -36.2613 -36.2523 -36.2523 -35.9743 -35.9743 -35.9733 -35.9733 -35.9650 -35.9650 -35.9636 -35.9636 -28.8684 -28.8684 -11.6764 -11.6764 -10.5686 -10.5686 -10.5026 -10.5026 -4.1639 -4.1639 -3.8539 -3.8539 3.0980 3.0980 3.8962 3.8962 5.1809 5.1809 5.2047 5.2047 5.4670 5.4670 5.4841 5.4841 8.4074 8.4074 8.7720 8.7720 9.2666 9.2666 9.4373 9.4373 k = 0.0347 0.0601 0.2976 ( 6458 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2613 -36.2613 -36.2523 -36.2523 -35.9743 -35.9743 -35.9733 -35.9733 -35.9650 -35.9650 -35.9636 -35.9636 -28.8685 -28.8685 -11.6759 -11.6759 -10.5686 -10.5686 -10.5010 -10.5010 -4.1699 -4.1699 -3.8617 -3.8617 3.1049 3.1049 3.9020 3.9020 5.2303 5.2303 5.2434 5.2434 5.4739 5.4739 5.5014 5.5014 8.3408 8.3408 8.7422 8.7422 9.2772 9.2772 9.3929 9.3929 k = 0.0278 0.0481 0.2976 ( 6450 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2613 -36.2613 -36.2522 -36.2522 -35.9743 -35.9743 -35.9733 -35.9733 -35.9650 -35.9650 -35.9636 -35.9636 -28.8686 -28.8686 -11.6754 -11.6754 -10.5685 -10.5685 -10.4997 -10.4997 -4.1748 -4.1748 -3.8681 -3.8681 3.1104 3.1104 3.9058 3.9058 5.2664 5.2664 5.2850 5.2850 5.4786 5.4786 5.5163 5.5163 8.2811 8.2811 8.7165 8.7165 9.2854 9.2854 9.3576 9.3576 k = 0.0208 0.0361 0.2976 ( 6440 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2613 -36.2613 -36.2522 -36.2522 -35.9743 -35.9743 -35.9732 -35.9732 -35.9650 -35.9650 -35.9635 -35.9635 -28.8686 -28.8686 -11.6750 -11.6750 -10.5684 -10.5684 -10.4987 -10.4987 -4.1787 -4.1787 -3.8731 -3.8731 3.1147 3.1147 3.9082 3.9082 5.2921 5.2921 5.3240 5.3240 5.4803 5.4803 5.5293 5.5293 8.2312 8.2312 8.6956 8.6956 9.2912 9.2912 9.3310 9.3310 k = 0.0139 0.0241 0.2976 ( 6428 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2613 -36.2613 -36.2522 -36.2522 -35.9742 -35.9742 -35.9732 -35.9732 -35.9650 -35.9650 -35.9635 -35.9635 -28.8687 -28.8687 -11.6748 -11.6748 -10.5684 -10.5684 -10.4980 -10.4980 -4.1814 -4.1814 -3.8767 -3.8767 3.1178 3.1178 3.9096 3.9096 5.3101 5.3101 5.3554 5.3554 5.4789 5.4789 5.5401 5.5401 8.1935 8.1935 8.6802 8.6802 9.2950 9.2950 9.3124 9.3124 k = 0.0069 0.0120 0.2976 ( 6422 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2613 -36.2613 -36.2522 -36.2522 -35.9742 -35.9742 -35.9732 -35.9732 -35.9650 -35.9650 -35.9635 -35.9635 -28.8687 -28.8687 -11.6746 -11.6746 -10.5684 -10.5684 -10.4975 -10.4975 -4.1831 -4.1831 -3.8789 -3.8789 3.1196 3.1196 3.9104 3.9104 5.3209 5.3209 5.3767 5.3767 5.4757 5.4757 5.5475 5.5475 8.1699 8.1699 8.6708 8.6708 9.2971 9.2971 9.3014 9.3014 k = 0.0000 0.0000 0.2976 ( 6418 PWs) bands (ev): -69.3161 -69.3161 -69.3140 -69.3140 -36.2613 -36.2613 -36.2521 -36.2521 -35.9742 -35.9742 -35.9732 -35.9732 -35.9650 -35.9650 -35.9635 -35.9635 -28.8687 -28.8687 -11.6746 -11.6746 -10.5684 -10.5684 -10.4974 -10.4974 -4.1836 -4.1836 -3.8796 -3.8796 3.1202 3.1202 3.9106 3.9106 5.3244 5.3244 5.3845 5.3845 5.4739 5.4739 5.5501 5.5501 8.1619 8.1619 8.6676 8.6676 9.2975 9.2975 9.2981 9.2981 k = 0.5000 0.2887 0.2976 ( 6432 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2586 -36.2586 -36.2555 -36.2555 -35.9751 -35.9751 -35.9719 -35.9719 -35.9663 -35.9663 -35.9631 -35.9631 -28.8617 -28.8617 -11.7152 -11.7152 -10.6217 -10.6217 -10.5415 -10.5415 -3.6987 -3.6987 -3.3657 -3.3657 2.2853 2.2853 2.3740 2.3740 4.2181 4.2181 4.3969 4.3969 5.1535 5.1535 5.3885 5.3885 7.7185 7.7185 7.9892 7.9892 9.0017 9.0017 9.6917 9.6917 k = 0.5000 0.2887 0.2840 ( 6436 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2586 -36.2586 -36.2555 -36.2555 -35.9751 -35.9751 -35.9719 -35.9719 -35.9663 -35.9663 -35.9632 -35.9632 -28.8617 -28.8617 -11.7152 -11.7152 -10.6217 -10.6217 -10.5415 -10.5415 -3.6983 -3.6983 -3.3661 -3.3661 2.2824 2.2824 2.3786 2.3786 4.2174 4.2174 4.3974 4.3974 5.1504 5.1504 5.3867 5.3867 7.7020 7.7020 8.0099 8.0099 9.0034 9.0034 9.6969 9.6969 k = 0.5000 0.2887 0.2705 ( 6432 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2586 -36.2586 -36.2555 -36.2555 -35.9751 -35.9751 -35.9719 -35.9719 -35.9663 -35.9663 -35.9632 -35.9632 -28.8617 -28.8617 -11.7152 -11.7152 -10.6217 -10.6217 -10.5415 -10.5415 -3.6973 -3.6973 -3.3674 -3.3674 2.2751 2.2751 2.3908 2.3908 4.2154 4.2154 4.3989 4.3989 5.1411 5.1411 5.3813 5.3813 7.6632 7.6632 8.0610 8.0610 9.0088 9.0088 9.7122 9.7122 k = 0.5000 0.2887 0.2570 ( 6434 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2586 -36.2586 -36.2555 -36.2555 -35.9751 -35.9751 -35.9719 -35.9719 -35.9663 -35.9663 -35.9631 -35.9631 -28.8617 -28.8617 -11.7152 -11.7152 -10.6217 -10.6217 -10.5415 -10.5415 -3.6955 -3.6955 -3.3696 -3.3696 2.2657 2.2657 2.4084 2.4084 4.2120 4.2120 4.4015 4.4015 5.1255 5.1255 5.3727 5.3727 7.6170 7.6170 8.1269 8.1269 9.0197 9.0197 9.7364 9.7364 k = 0.5000 0.2887 0.2435 ( 6432 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2586 -36.2586 -36.2555 -36.2555 -35.9751 -35.9751 -35.9719 -35.9719 -35.9663 -35.9663 -35.9631 -35.9631 -28.8617 -28.8617 -11.7152 -11.7152 -10.6217 -10.6217 -10.5415 -10.5415 -3.6930 -3.6930 -3.3726 -3.3726 2.2558 2.2558 2.4297 2.4297 4.2073 4.2073 4.4053 4.4053 5.1038 5.1038 5.3610 5.3610 7.5707 7.5707 8.1985 8.1985 9.0382 9.0382 9.7679 9.7679 k = 0.5000 0.2887 0.2299 ( 6440 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2586 -36.2586 -36.2555 -36.2555 -35.9751 -35.9751 -35.9719 -35.9719 -35.9663 -35.9663 -35.9632 -35.9632 -28.8617 -28.8617 -11.7152 -11.7152 -10.6217 -10.6217 -10.5415 -10.5415 -3.6899 -3.6899 -3.3764 -3.3764 2.2461 2.2461 2.4538 2.4538 4.2013 4.2013 4.4103 4.4103 5.0760 5.0760 5.3468 5.3468 7.5272 7.5272 8.2707 8.2707 9.0671 9.0671 9.8047 9.8047 k = 0.5000 0.2887 0.2164 ( 6450 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2586 -36.2586 -36.2555 -36.2555 -35.9751 -35.9751 -35.9719 -35.9719 -35.9664 -35.9664 -35.9632 -35.9632 -28.8617 -28.8617 -11.7152 -11.7152 -10.6217 -10.6217 -10.5415 -10.5415 -3.6861 -3.6861 -3.3810 -3.3810 2.2370 2.2370 2.4802 2.4802 4.1941 4.1941 4.4165 4.4165 5.0423 5.0423 5.3304 5.3304 7.4879 7.4879 8.3406 8.3406 9.1090 9.1090 9.8447 9.8447 k = 0.5000 0.2887 0.2029 ( 6456 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2586 -36.2586 -36.2555 -36.2555 -35.9751 -35.9751 -35.9719 -35.9719 -35.9664 -35.9664 -35.9632 -35.9632 -28.8617 -28.8617 -11.7152 -11.7152 -10.6217 -10.6217 -10.5415 -10.5415 -3.6816 -3.6816 -3.3864 -3.3864 2.2286 2.2286 2.5087 2.5087 4.1859 4.1859 4.4241 4.4241 5.0033 5.0033 5.3121 5.3121 7.4529 7.4529 8.4060 8.4060 9.1655 9.1655 9.8854 9.8854 k = 0.5000 0.2887 0.1894 ( 6468 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2586 -36.2586 -36.2556 -36.2556 -35.9751 -35.9751 -35.9719 -35.9719 -35.9664 -35.9664 -35.9632 -35.9632 -28.8617 -28.8617 -11.7152 -11.7152 -10.6218 -10.6218 -10.5415 -10.5415 -3.6765 -3.6765 -3.3924 -3.3924 2.2210 2.2210 2.5389 2.5389 4.1769 4.1769 4.4330 4.4330 4.9595 4.9595 5.2925 5.2925 7.4221 7.4221 8.4665 8.4665 9.2374 9.2374 9.9247 9.9247 k = 0.5000 0.2887 0.1758 ( 6464 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2586 -36.2586 -36.2556 -36.2556 -35.9751 -35.9751 -35.9719 -35.9719 -35.9664 -35.9664 -35.9632 -35.9632 -28.8617 -28.8617 -11.7152 -11.7152 -10.6218 -10.6218 -10.5414 -10.5414 -3.6709 -3.6709 -3.3991 -3.3991 2.2142 2.2142 2.5707 2.5707 4.1672 4.1672 4.4431 4.4431 4.9117 4.9117 5.2716 5.2716 7.3952 7.3952 8.5229 8.5229 9.3236 9.3236 9.9602 9.9602 k = 0.5000 0.2887 0.1623 ( 6464 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2586 -36.2586 -36.2556 -36.2556 -35.9751 -35.9751 -35.9719 -35.9719 -35.9664 -35.9664 -35.9632 -35.9632 -28.8617 -28.8617 -11.7152 -11.7152 -10.6218 -10.6218 -10.5414 -10.5414 -3.6647 -3.6647 -3.4064 -3.4064 2.2081 2.2081 2.6037 2.6037 4.1571 4.1571 4.4543 4.4543 4.8606 4.8606 5.2500 5.2500 7.3717 7.3717 8.5767 8.5767 9.4220 9.4220 9.9898 9.9898 k = 0.5000 0.2887 0.1488 ( 6452 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2586 -36.2586 -36.2555 -36.2555 -35.9751 -35.9751 -35.9719 -35.9719 -35.9664 -35.9664 -35.9632 -35.9632 -28.8617 -28.8617 -11.7152 -11.7152 -10.6218 -10.6218 -10.5414 -10.5414 -3.6579 -3.6579 -3.4142 -3.4142 2.2027 2.2027 2.6376 2.6376 4.1469 4.1469 4.4664 4.4664 4.8074 4.8074 5.2277 5.2277 7.3512 7.3512 8.6299 8.6299 9.5292 9.5292 10.0122 10.0122 k = 0.5000 0.2887 0.1353 ( 6452 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2586 -36.2586 -36.2555 -36.2555 -35.9751 -35.9751 -35.9719 -35.9719 -35.9664 -35.9664 -35.9632 -35.9632 -28.8617 -28.8617 -11.7152 -11.7152 -10.6218 -10.6218 -10.5414 -10.5414 -3.6508 -3.6508 -3.4225 -3.4225 2.1980 2.1980 2.6721 2.6721 4.1368 4.1368 4.4794 4.4794 4.7530 4.7530 5.2051 5.2051 7.3332 7.3332 8.6842 8.6842 9.6404 9.6404 10.0282 10.0282 k = 0.5000 0.2887 0.1217 ( 6440 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2586 -36.2586 -36.2555 -36.2555 -35.9751 -35.9751 -35.9719 -35.9719 -35.9664 -35.9664 -35.9631 -35.9631 -28.8617 -28.8617 -11.7152 -11.7152 -10.6218 -10.6218 -10.5414 -10.5414 -3.6432 -3.6432 -3.4311 -3.4311 2.1938 2.1938 2.7067 2.7067 4.1271 4.1271 4.4928 4.4928 4.6985 4.6985 5.1825 5.1825 7.3174 7.3174 8.7410 8.7410 9.7459 9.7459 10.0441 10.0441 k = 0.5000 0.2887 0.1082 ( 6436 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2586 -36.2586 -36.2555 -36.2555 -35.9751 -35.9751 -35.9719 -35.9719 -35.9663 -35.9663 -35.9631 -35.9631 -28.8617 -28.8617 -11.7152 -11.7152 -10.6218 -10.6218 -10.5414 -10.5414 -3.6354 -3.6354 -3.4400 -3.4400 2.1903 2.1903 2.7407 2.7407 4.1179 4.1179 4.5065 4.5065 4.6451 4.6451 5.1602 5.1602 7.3035 7.3035 8.8011 8.8011 9.8231 9.8231 10.0800 10.0800 k = 0.5000 0.2887 0.0947 ( 6452 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2586 -36.2586 -36.2555 -36.2555 -35.9751 -35.9751 -35.9719 -35.9719 -35.9664 -35.9664 -35.9631 -35.9631 -28.8617 -28.8617 -11.7152 -11.7152 -10.6218 -10.6218 -10.5414 -10.5414 -3.6273 -3.6273 -3.4490 -3.4490 2.1872 2.1872 2.7738 2.7738 4.1095 4.1095 4.5194 4.5194 4.5945 4.5945 5.1387 5.1387 7.2914 7.2914 8.8651 8.8651 9.8457 9.8457 10.1610 10.1610 k = 0.5000 0.2887 0.0812 ( 6456 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2586 -36.2586 -36.2555 -36.2555 -35.9751 -35.9751 -35.9719 -35.9719 -35.9664 -35.9664 -35.9632 -35.9632 -28.8617 -28.8617 -11.7152 -11.7152 -10.6219 -10.6219 -10.5414 -10.5414 -3.6192 -3.6192 -3.4580 -3.4580 2.1847 2.1847 2.8050 2.8050 4.1021 4.1021 4.5260 4.5260 4.5531 4.5531 5.1183 5.1183 7.2809 7.2809 8.9331 8.9331 9.8235 9.8235 10.2766 10.2766 k = 0.5000 0.2887 0.0676 ( 6466 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2586 -36.2586 -36.2556 -36.2556 -35.9751 -35.9751 -35.9720 -35.9720 -35.9664 -35.9664 -35.9632 -35.9632 -28.8617 -28.8617 -11.7152 -11.7152 -10.6219 -10.6219 -10.5414 -10.5414 -3.6112 -3.6112 -3.4668 -3.4668 2.1826 2.1826 2.8335 2.8335 4.0958 4.0958 4.4965 4.4965 4.5515 4.5515 5.0996 5.0996 7.2720 7.2720 9.0050 9.0050 9.7769 9.7769 10.4061 10.4061 k = 0.5000 0.2887 0.0541 ( 6466 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2586 -36.2586 -36.2556 -36.2556 -35.9751 -35.9751 -35.9720 -35.9720 -35.9664 -35.9664 -35.9632 -35.9632 -28.8617 -28.8617 -11.7152 -11.7152 -10.6219 -10.6219 -10.5414 -10.5414 -3.6036 -3.6036 -3.4751 -3.4751 2.1809 2.1809 2.8586 2.8586 4.0907 4.0907 4.4597 4.4597 4.5616 4.5616 5.0832 5.0832 7.2646 7.2646 9.0805 9.0805 9.7160 9.7160 10.5381 10.5381 k = 0.5000 0.2887 0.0406 ( 6470 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2587 -36.2587 -36.2556 -36.2556 -35.9751 -35.9751 -35.9720 -35.9720 -35.9664 -35.9664 -35.9632 -35.9632 -28.8617 -28.8617 -11.7152 -11.7152 -10.6219 -10.6219 -10.5414 -10.5414 -3.5967 -3.5967 -3.4825 -3.4825 2.1796 2.1796 2.8793 2.8793 4.0867 4.0867 4.4287 4.4287 4.5710 4.5710 5.0695 5.0695 7.2589 7.2589 9.1589 9.1589 9.6460 9.6460 10.6650 10.6650 k = 0.5000 0.2887 0.0271 ( 6474 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2587 -36.2587 -36.2556 -36.2556 -35.9751 -35.9751 -35.9720 -35.9720 -35.9664 -35.9664 -35.9632 -35.9632 -28.8617 -28.8617 -11.7152 -11.7152 -10.6219 -10.6219 -10.5414 -10.5414 -3.5911 -3.5911 -3.4885 -3.4885 2.1787 2.1787 2.8948 2.8948 4.0840 4.0840 4.4055 4.4055 4.5783 4.5783 5.0593 5.0593 7.2548 7.2548 9.2395 9.2395 9.5699 9.5699 10.7767 10.7767 k = 0.5000 0.2887 0.0135 ( 6472 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2587 -36.2587 -36.2555 -36.2555 -35.9752 -35.9752 -35.9720 -35.9720 -35.9664 -35.9664 -35.9632 -35.9632 -28.8617 -28.8617 -11.7152 -11.7152 -10.6219 -10.6219 -10.5414 -10.5414 -3.5873 -3.5873 -3.4925 -3.4925 2.1781 2.1781 2.9045 2.9045 4.0824 4.0824 4.3911 4.3911 4.5829 4.5829 5.0529 5.0529 7.2523 7.2523 9.3210 9.3210 9.4907 9.4907 10.8580 10.8580 k = 0.5000 0.2887-0.0000 ( 6492 PWs) bands (ev): -69.3154 -69.3154 -69.3147 -69.3147 -36.2587 -36.2587 -36.2556 -36.2556 -35.9752 -35.9752 -35.9720 -35.9720 -35.9664 -35.9664 -35.9632 -35.9632 -28.8617 -28.8617 -11.7152 -11.7152 -10.6219 -10.6219 -10.5414 -10.5414 -3.5860 -3.5860 -3.4939 -3.4939 2.1779 2.1779 2.9077 2.9077 4.0819 4.0819 4.3862 4.3862 4.5845 4.5845 5.0507 5.0507 7.2514 7.2514 9.3874 9.3874 9.4249 9.4249 10.8888 10.8888 k = 0.3333 0.5774-0.0000 ( 6456 PWs) bands (ev): -69.3151 -69.3151 -69.3151 -69.3151 -36.2572 -36.2572 -36.2571 -36.2571 -35.9758 -35.9758 -35.9696 -35.9696 -35.9686 -35.9686 -35.9627 -35.9627 -28.8608 -28.8608 -11.7187 -11.7187 -10.6110 -10.6110 -10.5670 -10.5670 -3.4743 -3.4743 -3.4661 -3.4661 2.7288 2.7288 2.7944 2.7944 2.9581 2.9581 4.4299 4.4299 4.4574 4.4574 4.5304 4.5304 8.8384 8.8384 9.8506 9.8506 9.8721 9.8721 10.1321 10.1321 k = 0.3333 0.5774 0.0135 ( 6465 PWs) bands (ev): -69.3151 -69.3151 -69.3151 -69.3151 -36.2572 -36.2572 -36.2571 -36.2571 -35.9758 -35.9758 -35.9696 -35.9696 -35.9686 -35.9686 -35.9627 -35.9627 -28.8608 -28.8608 -11.7187 -11.7187 -10.6110 -10.6110 -10.5670 -10.5670 -3.4744 -3.4744 -3.4661 -3.4661 2.7283 2.7283 2.7938 2.7938 2.9593 2.9593 4.4309 4.4309 4.4588 4.4588 4.5282 4.5282 8.8426 8.8426 9.8240 9.8240 9.8464 9.8464 10.1592 10.1592 k = 0.3333 0.5774 0.0271 ( 6468 PWs) bands (ev): -69.3151 -69.3151 -69.3151 -69.3151 -36.2572 -36.2572 -36.2571 -36.2571 -35.9758 -35.9758 -35.9696 -35.9696 -35.9686 -35.9686 -35.9627 -35.9627 -28.8608 -28.8608 -11.7187 -11.7187 -10.6110 -10.6110 -10.5670 -10.5670 -3.4744 -3.4744 -3.4661 -3.4661 2.7269 2.7269 2.7921 2.7921 2.9630 2.9630 4.4337 4.4337 4.4630 4.4630 4.5221 4.5221 8.8551 8.8551 9.7626 9.7626 9.7857 9.7857 10.2222 10.2222 k = 0.3333 0.5774 0.0406 ( 6465 PWs) bands (ev): -69.3151 -69.3151 -69.3151 -69.3151 -36.2572 -36.2572 -36.2571 -36.2571 -35.9758 -35.9758 -35.9696 -35.9696 -35.9686 -35.9686 -35.9627 -35.9627 -28.8608 -28.8608 -11.7187 -11.7187 -10.6110 -10.6110 -10.5670 -10.5670 -3.4744 -3.4744 -3.4662 -3.4662 2.7247 2.7247 2.7892 2.7892 2.9693 2.9693 4.4369 4.4369 4.4699 4.4699 4.5133 4.5133 8.8759 8.8759 9.6876 9.6876 9.7102 9.7102 10.2998 10.2998 k = 0.3333 0.5774 0.0541 ( 6462 PWs) bands (ev): -69.3151 -69.3151 -69.3151 -69.3151 -36.2572 -36.2572 -36.2571 -36.2571 -35.9758 -35.9758 -35.9696 -35.9696 -35.9686 -35.9686 -35.9627 -35.9627 -28.8608 -28.8608 -11.7187 -11.7187 -10.6110 -10.6110 -10.5670 -10.5670 -3.4745 -3.4745 -3.4663 -3.4663 2.7216 2.7216 2.7853 2.7853 2.9780 2.9780 4.4370 4.4370 4.4794 4.4794 4.5054 4.5054 8.9045 8.9045 9.6078 9.6078 9.6291 9.6291 10.3835 10.3835 k = 0.3333 0.5774 0.0676 ( 6462 PWs) bands (ev): -69.3151 -69.3151 -69.3151 -69.3151 -36.2572 -36.2572 -36.2571 -36.2571 -35.9758 -35.9758 -35.9696 -35.9696 -35.9686 -35.9686 -35.9627 -35.9627 -28.8608 -28.8608 -11.7187 -11.7187 -10.6110 -10.6110 -10.5670 -10.5670 -3.4746 -3.4746 -3.4664 -3.4664 2.7178 2.7178 2.7804 2.7804 2.9892 2.9892 4.4282 4.4282 4.4914 4.4914 4.5043 4.5043 8.9406 8.9406 9.5267 9.5267 9.5462 9.5462 10.4696 10.4696 k = 0.3333 0.5774 0.0812 ( 6453 PWs) bands (ev): -69.3150 -69.3150 -69.3150 -69.3150 -36.2572 -36.2572 -36.2571 -36.2571 -35.9758 -35.9758 -35.9696 -35.9696 -35.9686 -35.9686 -35.9627 -35.9627 -28.8608 -28.8608 -11.7187 -11.7187 -10.6110 -10.6110 -10.5670 -10.5670 -3.4747 -3.4747 -3.4666 -3.4666 2.7133 2.7133 2.7747 2.7747 3.0028 3.0028 4.4085 4.4085 4.5055 4.5055 4.5123 4.5123 8.9837 8.9837 9.4459 9.4459 9.4633 9.4633 10.5569 10.5569 k = 0.3333 0.5774 0.0947 ( 6468 PWs) bands (ev): -69.3151 -69.3151 -69.3151 -69.3151 -36.2572 -36.2572 -36.2571 -36.2571 -35.9758 -35.9758 -35.9696 -35.9696 -35.9686 -35.9686 -35.9627 -35.9627 -28.8608 -28.8608 -11.7187 -11.7187 -10.6110 -10.6110 -10.5670 -10.5670 -3.4748 -3.4748 -3.4668 -3.4668 2.7083 2.7083 2.7683 2.7683 3.0188 3.0188 4.3806 4.3806 4.5215 4.5215 4.5265 4.5265 9.0332 9.0332 9.3663 9.3663 9.3814 9.3814 10.6443 10.6443 k = 0.3333 0.5774 0.1082 ( 6459 PWs) bands (ev): -69.3151 -69.3151 -69.3151 -69.3151 -36.2572 -36.2572 -36.2571 -36.2571 -35.9758 -35.9758 -35.9696 -35.9696 -35.9686 -35.9686 -35.9627 -35.9627 -28.8608 -28.8608 -11.7187 -11.7187 -10.6109 -10.6109 -10.5670 -10.5670 -3.4749 -3.4749 -3.4669 -3.4669 2.7029 2.7029 2.7614 2.7614 3.0371 3.0371 4.3472 4.3472 4.5391 4.5391 4.5446 4.5446 9.0885 9.0885 9.2886 9.2886 9.3013 9.3013 10.7197 10.7197 k = 0.3333 0.5774 0.1217 ( 6465 PWs) bands (ev): -69.3151 -69.3151 -69.3151 -69.3151 -36.2572 -36.2572 -36.2571 -36.2571 -35.9758 -35.9758 -35.9696 -35.9696 -35.9686 -35.9686 -35.9627 -35.9627 -28.8608 -28.8608 -11.7187 -11.7187 -10.6109 -10.6109 -10.5670 -10.5670 -3.4751 -3.4751 -3.4671 -3.4671 2.6972 2.6972 2.7540 2.7540 3.0577 3.0577 4.3097 4.3097 4.5580 4.5580 4.5651 4.5651 9.1483 9.1483 9.2134 9.2134 9.2243 9.2243 10.7362 10.7362 k = 0.3333 0.5774 0.1353 ( 6462 PWs) bands (ev): -69.3151 -69.3151 -69.3151 -69.3151 -36.2572 -36.2572 -36.2571 -36.2571 -35.9758 -35.9758 -35.9696 -35.9696 -35.9686 -35.9686 -35.9627 -35.9627 -28.8608 -28.8608 -11.7187 -11.7187 -10.6109 -10.6109 -10.5670 -10.5670 -3.4752 -3.4752 -3.4673 -3.4673 2.6913 2.6913 2.7465 2.7465 3.0804 3.0804 4.2692 4.2692 4.5778 4.5778 4.5871 4.5871 9.1413 9.1413 9.1467 9.1467 9.2159 9.2159 10.7493 10.7493 k = 0.3333 0.5774 0.1488 ( 6450 PWs) bands (ev): -69.3150 -69.3150 -69.3150 -69.3150 -36.2572 -36.2572 -36.2571 -36.2571 -35.9758 -35.9758 -35.9696 -35.9696 -35.9686 -35.9686 -35.9627 -35.9627 -28.8608 -28.8608 -11.7187 -11.7187 -10.6109 -10.6109 -10.5670 -10.5670 -3.4754 -3.4754 -3.4675 -3.4675 2.6854 2.6854 2.7390 2.7390 3.1050 3.1050 4.2264 4.2264 4.5982 4.5982 4.6099 4.6099 9.0726 9.0726 9.0762 9.0762 9.2836 9.2836 10.7592 10.7592 k = 0.3333 0.5774 0.1623 ( 6450 PWs) bands (ev): -69.3150 -69.3150 -69.3150 -69.3150 -36.2572 -36.2572 -36.2571 -36.2571 -35.9758 -35.9758 -35.9696 -35.9696 -35.9686 -35.9686 -35.9627 -35.9627 -28.8608 -28.8608 -11.7187 -11.7187 -10.6109 -10.6109 -10.5670 -10.5670 -3.4755 -3.4755 -3.4678 -3.4678 2.6796 2.6796 2.7315 2.7315 3.1314 3.1314 4.1820 4.1820 4.6186 4.6186 4.6331 4.6331 9.0078 9.0078 9.0089 9.0089 9.3549 9.3549 10.7649 10.7649 k = 0.3333 0.5774 0.1758 ( 6462 PWs) bands (ev): -69.3151 -69.3151 -69.3151 -69.3151 -36.2572 -36.2572 -36.2571 -36.2571 -35.9758 -35.9758 -35.9696 -35.9696 -35.9686 -35.9686 -35.9627 -35.9627 -28.8608 -28.8608 -11.7187 -11.7187 -10.6109 -10.6109 -10.5670 -10.5670 -3.4756 -3.4756 -3.4680 -3.4680 2.6740 2.6740 2.7243 2.7243 3.1594 3.1594 4.1365 4.1365 4.6388 4.6388 4.6560 4.6560 8.9460 8.9460 8.9475 8.9475 9.4282 9.4282 10.7650 10.7650 k = 0.3333 0.5774 0.1894 ( 6462 PWs) bands (ev): -69.3151 -69.3151 -69.3151 -69.3151 -36.2572 -36.2572 -36.2571 -36.2571 -35.9758 -35.9758 -35.9696 -35.9696 -35.9686 -35.9686 -35.9627 -35.9627 -28.8608 -28.8608 -11.7187 -11.7187 -10.6109 -10.6109 -10.5670 -10.5670 -3.4758 -3.4758 -3.4682 -3.4682 2.6687 2.6687 2.7175 2.7175 3.1886 3.1886 4.0908 4.0908 4.6582 4.6582 4.6782 4.6782 8.8880 8.8880 8.8920 8.8920 9.5025 9.5025 10.7583 10.7583 k = 0.3333 0.5774 0.2029 ( 6468 PWs) bands (ev): -69.3151 -69.3151 -69.3151 -69.3151 -36.2572 -36.2572 -36.2571 -36.2571 -35.9758 -35.9758 -35.9696 -35.9696 -35.9686 -35.9686 -35.9627 -35.9627 -28.8608 -28.8608 -11.7187 -11.7187 -10.6108 -10.6108 -10.5670 -10.5670 -3.4759 -3.4759 -3.4683 -3.4683 2.6638 2.6638 2.7112 2.7112 3.2186 3.2186 4.0455 4.0455 4.6766 4.6766 4.6991 4.6991 8.8354 8.8354 8.8417 8.8417 9.5766 9.5766 10.7444 10.7444 k = 0.3333 0.5774 0.2164 ( 6456 PWs) bands (ev): -69.3151 -69.3151 -69.3151 -69.3151 -36.2572 -36.2572 -36.2571 -36.2571 -35.9758 -35.9758 -35.9696 -35.9696 -35.9686 -35.9686 -35.9627 -35.9627 -28.8608 -28.8608 -11.7187 -11.7187 -10.6108 -10.6108 -10.5670 -10.5670 -3.4760 -3.4760 -3.4685 -3.4685 2.6593 2.6593 2.7055 2.7055 3.2489 3.2489 4.0014 4.0014 4.6934 4.6934 4.7184 4.7184 8.7887 8.7887 8.7972 8.7972 9.6492 9.6492 10.7234 10.7234 k = 0.3333 0.5774 0.2299 ( 6450 PWs) bands (ev): -69.3150 -69.3150 -69.3150 -69.3150 -36.2572 -36.2572 -36.2571 -36.2571 -35.9758 -35.9758 -35.9696 -35.9696 -35.9686 -35.9686 -35.9627 -35.9627 -28.8608 -28.8608 -11.7187 -11.7187 -10.6108 -10.6108 -10.5670 -10.5670 -3.4761 -3.4761 -3.4687 -3.4687 2.6554 2.6554 2.7006 2.7006 3.2787 3.2787 3.9595 3.9595 4.7084 4.7084 4.7355 4.7355 8.7484 8.7484 8.7588 8.7588 9.7188 9.7188 10.6965 10.6965 k = 0.3333 0.5774 0.2435 ( 6438 PWs) bands (ev): -69.3150 -69.3150 -69.3150 -69.3150 -36.2571 -36.2571 -36.2571 -36.2571 -35.9758 -35.9758 -35.9696 -35.9696 -35.9686 -35.9686 -35.9627 -35.9627 -28.8608 -28.8608 -11.7187 -11.7187 -10.6108 -10.6108 -10.5670 -10.5670 -3.4762 -3.4762 -3.4688 -3.4688 2.6522 2.6522 2.6964 2.6964 3.3070 3.3070 3.9211 3.9211 4.7211 4.7211 4.7501 4.7501 8.7148 8.7148 8.7269 8.7269 9.7832 9.7832 10.6659 10.6659 k = 0.3333 0.5774 0.2570 ( 6453 PWs) bands (ev): -69.3151 -69.3151 -69.3151 -69.3151 -36.2572 -36.2572 -36.2571 -36.2571 -35.9758 -35.9758 -35.9696 -35.9696 -35.9686 -35.9686 -35.9627 -35.9627 -28.8608 -28.8608 -11.7187 -11.7187 -10.6108 -10.6108 -10.5671 -10.5671 -3.4763 -3.4763 -3.4689 -3.4689 2.6496 2.6496 2.6932 2.6932 3.3323 3.3323 3.8878 3.8878 4.7314 4.7314 4.7618 4.7618 8.6882 8.6882 8.7017 8.7017 9.8398 9.8398 10.6349 10.6349 k = 0.3333 0.5774 0.2705 ( 6471 PWs) bands (ev): -69.3151 -69.3151 -69.3151 -69.3151 -36.2572 -36.2572 -36.2571 -36.2571 -35.9758 -35.9758 -35.9696 -35.9696 -35.9686 -35.9686 -35.9627 -35.9627 -28.8608 -28.8608 -11.7187 -11.7187 -10.6108 -10.6108 -10.5671 -10.5671 -3.4763 -3.4763 -3.4689 -3.4689 2.6477 2.6477 2.6908 2.6908 3.3526 3.3526 3.8616 3.8616 4.7389 4.7389 4.7704 4.7704 8.6691 8.6691 8.6835 8.6835 9.8849 9.8849 10.6075 10.6075 k = 0.3333 0.5774 0.2840 ( 6459 PWs) bands (ev): -69.3151 -69.3151 -69.3151 -69.3151 -36.2572 -36.2572 -36.2571 -36.2571 -35.9758 -35.9758 -35.9696 -35.9696 -35.9686 -35.9686 -35.9627 -35.9627 -28.8608 -28.8608 -11.7187 -11.7187 -10.6108 -10.6108 -10.5671 -10.5671 -3.4763 -3.4763 -3.4690 -3.4690 2.6465 2.6465 2.6893 2.6893 3.3661 3.3661 3.8446 3.8446 4.7434 4.7434 4.7757 4.7757 8.6575 8.6575 8.6725 8.6725 9.9146 9.9146 10.5883 10.5883 k = 0.3333 0.5774 0.2976 ( 6468 PWs) bands (ev): -69.3151 -69.3151 -69.3151 -69.3151 -36.2572 -36.2572 -36.2571 -36.2571 -35.9758 -35.9758 -35.9696 -35.9696 -35.9686 -35.9686 -35.9627 -35.9627 -28.8608 -28.8608 -11.7187 -11.7187 -10.6108 -10.6108 -10.5671 -10.5671 -3.4764 -3.4764 -3.4690 -3.4690 2.6462 2.6462 2.6888 2.6888 3.3709 3.3709 3.8387 3.8387 4.7450 4.7450 4.7774 4.7774 8.6536 8.6536 8.6688 8.6688 9.9250 9.9250 10.5814 10.5814 Writing output data file SrxMgAsx2.save init_run : 0.31s CPU 0.44s WALL ( 1 calls) electrons : 144.98s CPU 147.32s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 144.97s CPU 147.31s WALL ( 1 calls) v_of_rho : 0.00s 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 : 0.06s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.07s WALL ( 303 calls) cegterg : 134.82s CPU 136.58s WALL ( 466 calls) Called by sum_band: Called by *egterg: h_psi : 76.92s CPU 78.02s WALL ( 7718 calls) s_psi : 2.53s CPU 2.53s WALL ( 7718 calls) g_psi : 0.28s CPU 0.28s WALL ( 6949 calls) cdiaghg : 45.04s CPU 45.63s WALL ( 7252 calls) cegterg:over : 6.24s CPU 6.23s WALL ( 6949 calls) cegterg:upda : 6.35s CPU 6.55s WALL ( 6949 calls) cegterg:last : 2.99s CPU 3.01s WALL ( 1072 calls) cdiaghg:chol : 2.63s CPU 2.61s WALL ( 7252 calls) cdiaghg:inve : 1.51s CPU 1.70s WALL ( 7252 calls) cdiaghg:para : 2.74s CPU 2.59s WALL ( 14504 calls) Called by h_psi: h_psi:vloc : 70.09s CPU 71.08s WALL ( 7718 calls) h_psi:vnl : 6.53s CPU 6.64s WALL ( 7718 calls) add_vuspsi : 2.82s CPU 2.99s WALL ( 7718 calls) General routines calbec : 3.68s CPU 3.63s WALL ( 7718 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 64.85s CPU 65.86s WALL ( 650000 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.24s WALL ( 606 calls) Parallel routines fft_scatter : 20.21s CPU 20.81s WALL ( 650023 calls) PWSCF : 2m43.19s CPU 2m55.51s WALL This run was terminated on: 20:31:18 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=