Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 19:43: 6 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: ./BaxMgAsx2.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 53 32 9 3223 1534 234 Max 54 33 11 3231 1555 239 Sum 1915 1159 337 116173 55541 8475 bravais-lattice index = 14 lattice parameter (alat) = 8.4660 a.u. unit-cell volume = 906.9326 (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)= 8.465972 celldm(2)= 1.000000 celldm(3)= 1.725893 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 1.725893 ) 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 0.579410 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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. # 3 for Mg read from file: /users/gautes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) As 5.00 74.92160 As( 1.00) Mg 10.00 24.30500 Mg( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 296 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 2) = ( 0.0121951 0.0070409 -0.0000000), wk = 0.0033784 k( 3) = ( 0.0243902 0.0140817 -0.0000000), wk = 0.0033784 k( 4) = ( 0.0365854 0.0211226 -0.0000000), wk = 0.0033784 k( 5) = ( 0.0487805 0.0281634 -0.0000000), wk = 0.0033784 k( 6) = ( 0.0609756 0.0352043 -0.0000000), wk = 0.0033784 k( 7) = ( 0.0731707 0.0422451 -0.0000000), wk = 0.0033784 k( 8) = ( 0.0853658 0.0492860 -0.0000000), wk = 0.0033784 k( 9) = ( 0.0975610 0.0563269 -0.0000000), wk = 0.0033784 k( 10) = ( 0.1097561 0.0633677 -0.0000000), wk = 0.0033784 k( 11) = ( 0.1219512 0.0704086 -0.0000000), wk = 0.0033784 k( 12) = ( 0.1341463 0.0774494 -0.0000000), wk = 0.0033784 k( 13) = ( 0.1463415 0.0844903 -0.0000000), wk = 0.0033784 k( 14) = ( 0.1585366 0.0915311 -0.0000000), wk = 0.0033784 k( 15) = ( 0.1707317 0.0985720 -0.0000000), wk = 0.0033784 k( 16) = ( 0.1829268 0.1056129 -0.0000000), wk = 0.0033784 k( 17) = ( 0.1951219 0.1126537 -0.0000000), wk = 0.0033784 k( 18) = ( 0.2073171 0.1196946 -0.0000000), wk = 0.0033784 k( 19) = ( 0.2195122 0.1267354 -0.0000000), wk = 0.0033784 k( 20) = ( 0.2317073 0.1337763 -0.0000000), wk = 0.0033784 k( 21) = ( 0.2439024 0.1408171 -0.0000000), wk = 0.0033784 k( 22) = ( 0.2560976 0.1478580 -0.0000000), wk = 0.0033784 k( 23) = ( 0.2682927 0.1548989 -0.0000000), wk = 0.0033784 k( 24) = ( 0.2804878 0.1619397 -0.0000000), wk = 0.0033784 k( 25) = ( 0.2926829 0.1689806 -0.0000000), wk = 0.0033784 k( 26) = ( 0.3048781 0.1760214 -0.0000000), wk = 0.0033784 k( 27) = ( 0.3170732 0.1830623 -0.0000000), wk = 0.0033784 k( 28) = ( 0.3292683 0.1901031 -0.0000000), wk = 0.0033784 k( 29) = ( 0.3414634 0.1971440 -0.0000000), wk = 0.0033784 k( 30) = ( 0.3536585 0.2041849 -0.0000000), wk = 0.0033784 k( 31) = ( 0.3658537 0.2112257 -0.0000000), wk = 0.0033784 k( 32) = ( 0.3780488 0.2182666 -0.0000000), wk = 0.0033784 k( 33) = ( 0.3902439 0.2253074 -0.0000000), wk = 0.0033784 k( 34) = ( 0.4024390 0.2323483 -0.0000000), wk = 0.0033784 k( 35) = ( 0.4146341 0.2393891 -0.0000000), wk = 0.0033784 k( 36) = ( 0.4268293 0.2464300 -0.0000000), wk = 0.0033784 k( 37) = ( 0.4390244 0.2534708 -0.0000000), wk = 0.0033784 k( 38) = ( 0.4512195 0.2605117 -0.0000000), wk = 0.0033784 k( 39) = ( 0.4634146 0.2675526 -0.0000000), wk = 0.0033784 k( 40) = ( 0.4756098 0.2745934 -0.0000000), wk = 0.0033784 k( 41) = ( 0.4878049 0.2816343 -0.0000000), wk = 0.0033784 k( 42) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033784 k( 43) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033784 k( 44) = ( 0.4930556 0.3007033 -0.0000000), wk = 0.0033784 k( 45) = ( 0.4861111 0.3127314 -0.0000000), wk = 0.0033784 k( 46) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0033784 k( 47) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0033784 k( 48) = ( 0.4652778 0.3488158 -0.0000000), wk = 0.0033784 k( 49) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0033784 k( 50) = ( 0.4513889 0.3728720 -0.0000000), wk = 0.0033784 k( 51) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0033784 k( 52) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0033784 k( 53) = ( 0.4305556 0.4089564 -0.0000000), wk = 0.0033784 k( 54) = ( 0.4236111 0.4209846 -0.0000000), wk = 0.0033784 k( 55) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0033784 k( 56) = ( 0.4097222 0.4450408 -0.0000000), wk = 0.0033784 k( 57) = ( 0.4027778 0.4570690 -0.0000000), wk = 0.0033784 k( 58) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0033784 k( 59) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0033784 k( 60) = ( 0.3819444 0.4931534 -0.0000000), wk = 0.0033784 k( 61) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0033784 k( 62) = ( 0.3680556 0.5172096 -0.0000000), wk = 0.0033784 k( 63) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0033784 k( 64) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0033784 k( 65) = ( 0.3472222 0.5532940 -0.0000000), wk = 0.0033784 k( 66) = ( 0.3402778 0.5653221 -0.0000000), wk = 0.0033784 k( 67) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033784 k( 68) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033784 k( 69) = ( 0.3262411 0.5650662 -0.0000000), wk = 0.0033784 k( 70) = ( 0.3191489 0.5527822 -0.0000000), wk = 0.0033784 k( 71) = ( 0.3120567 0.5404981 -0.0000000), wk = 0.0033784 k( 72) = ( 0.3049645 0.5282141 -0.0000000), wk = 0.0033784 k( 73) = ( 0.2978723 0.5159300 -0.0000000), wk = 0.0033784 k( 74) = ( 0.2907801 0.5036460 -0.0000000), wk = 0.0033784 k( 75) = ( 0.2836879 0.4913619 -0.0000000), wk = 0.0033784 k( 76) = ( 0.2765957 0.4790779 -0.0000000), wk = 0.0033784 k( 77) = ( 0.2695035 0.4667938 -0.0000000), wk = 0.0033784 k( 78) = ( 0.2624113 0.4545098 -0.0000000), wk = 0.0033784 k( 79) = ( 0.2553191 0.4422257 -0.0000000), wk = 0.0033784 k( 80) = ( 0.2482270 0.4299417 -0.0000000), wk = 0.0033784 k( 81) = ( 0.2411348 0.4176576 -0.0000000), wk = 0.0033784 k( 82) = ( 0.2340425 0.4053736 -0.0000000), wk = 0.0033784 k( 83) = ( 0.2269503 0.3930895 -0.0000000), wk = 0.0033784 k( 84) = ( 0.2198582 0.3808055 -0.0000000), wk = 0.0033784 k( 85) = ( 0.2127660 0.3685215 -0.0000000), wk = 0.0033784 k( 86) = ( 0.2056738 0.3562374 -0.0000000), wk = 0.0033784 k( 87) = ( 0.1985816 0.3439534 -0.0000000), wk = 0.0033784 k( 88) = ( 0.1914894 0.3316693 -0.0000000), wk = 0.0033784 k( 89) = ( 0.1843972 0.3193852 -0.0000000), wk = 0.0033784 k( 90) = ( 0.1773050 0.3071012 -0.0000000), wk = 0.0033784 k( 91) = ( 0.1702128 0.2948172 -0.0000000), wk = 0.0033784 k( 92) = ( 0.1631206 0.2825331 -0.0000000), wk = 0.0033784 k( 93) = ( 0.1560284 0.2702491 -0.0000000), wk = 0.0033784 k( 94) = ( 0.1489362 0.2579650 -0.0000000), wk = 0.0033784 k( 95) = ( 0.1418440 0.2456810 -0.0000000), wk = 0.0033784 k( 96) = ( 0.1347518 0.2333969 -0.0000000), wk = 0.0033784 k( 97) = ( 0.1276596 0.2211129 -0.0000000), wk = 0.0033784 k( 98) = ( 0.1205674 0.2088288 -0.0000000), wk = 0.0033784 k( 99) = ( 0.1134752 0.1965448 -0.0000000), wk = 0.0033784 k( 100) = ( 0.1063830 0.1842607 -0.0000000), wk = 0.0033784 k( 101) = ( 0.0992908 0.1719767 -0.0000000), wk = 0.0033784 k( 102) = ( 0.0921986 0.1596926 -0.0000000), wk = 0.0033784 k( 103) = ( 0.0851064 0.1474086 -0.0000000), wk = 0.0033784 k( 104) = ( 0.0780142 0.1351245 -0.0000000), wk = 0.0033784 k( 105) = ( 0.0709220 0.1228405 -0.0000000), wk = 0.0033784 k( 106) = ( 0.0638298 0.1105564 -0.0000000), wk = 0.0033784 k( 107) = ( 0.0567376 0.0982724 -0.0000000), wk = 0.0033784 k( 108) = ( 0.0496454 0.0859883 -0.0000000), wk = 0.0033784 k( 109) = ( 0.0425532 0.0737043 -0.0000000), wk = 0.0033784 k( 110) = ( 0.0354610 0.0614202 -0.0000000), wk = 0.0033784 k( 111) = ( 0.0283688 0.0491362 -0.0000000), wk = 0.0033784 k( 112) = ( 0.0212766 0.0368522 -0.0000000), wk = 0.0033784 k( 113) = ( 0.0141844 0.0245681 -0.0000000), wk = 0.0033784 k( 114) = ( 0.0070922 0.0122841 -0.0000000), wk = 0.0033784 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 117) = ( 0.0000000 0.0000000 0.0137955), wk = 0.0033784 k( 118) = ( 0.0000000 0.0000000 0.0275910), wk = 0.0033784 k( 119) = ( 0.0000000 0.0000000 0.0413864), wk = 0.0033784 k( 120) = ( 0.0000000 0.0000000 0.0551819), wk = 0.0033784 k( 121) = ( 0.0000000 0.0000000 0.0689774), wk = 0.0033784 k( 122) = ( 0.0000000 0.0000000 0.0827729), wk = 0.0033784 k( 123) = ( 0.0000000 0.0000000 0.0965684), wk = 0.0033784 k( 124) = ( 0.0000000 0.0000000 0.1103639), wk = 0.0033784 k( 125) = ( 0.0000000 0.0000000 0.1241593), wk = 0.0033784 k( 126) = ( 0.0000000 0.0000000 0.1379548), wk = 0.0033784 k( 127) = ( 0.0000000 0.0000000 0.1517503), wk = 0.0033784 k( 128) = ( 0.0000000 0.0000000 0.1655458), wk = 0.0033784 k( 129) = ( 0.0000000 0.0000000 0.1793413), wk = 0.0033784 k( 130) = ( 0.0000000 0.0000000 0.1931367), wk = 0.0033784 k( 131) = ( 0.0000000 0.0000000 0.2069322), wk = 0.0033784 k( 132) = ( 0.0000000 0.0000000 0.2207277), wk = 0.0033784 k( 133) = ( 0.0000000 0.0000000 0.2345232), wk = 0.0033784 k( 134) = ( 0.0000000 0.0000000 0.2483187), wk = 0.0033784 k( 135) = ( 0.0000000 0.0000000 0.2621142), wk = 0.0033784 k( 136) = ( 0.0000000 0.0000000 0.2759096), wk = 0.0033784 k( 137) = ( 0.0000000 0.0000000 0.2897051), wk = 0.0033784 k( 138) = ( 0.0000000 0.0000000 0.2897051), wk = 0.0033784 k( 139) = ( 0.0121951 0.0070409 0.2897051), wk = 0.0033784 k( 140) = ( 0.0243902 0.0140817 0.2897051), wk = 0.0033784 k( 141) = ( 0.0365854 0.0211226 0.2897051), wk = 0.0033784 k( 142) = ( 0.0487805 0.0281634 0.2897051), wk = 0.0033784 k( 143) = ( 0.0609756 0.0352043 0.2897051), wk = 0.0033784 k( 144) = ( 0.0731707 0.0422451 0.2897051), wk = 0.0033784 k( 145) = ( 0.0853658 0.0492860 0.2897051), wk = 0.0033784 k( 146) = ( 0.0975610 0.0563269 0.2897051), wk = 0.0033784 k( 147) = ( 0.1097561 0.0633677 0.2897051), wk = 0.0033784 k( 148) = ( 0.1219512 0.0704086 0.2897051), wk = 0.0033784 k( 149) = ( 0.1341463 0.0774494 0.2897051), wk = 0.0033784 k( 150) = ( 0.1463415 0.0844903 0.2897051), wk = 0.0033784 k( 151) = ( 0.1585366 0.0915311 0.2897051), wk = 0.0033784 k( 152) = ( 0.1707317 0.0985720 0.2897051), wk = 0.0033784 k( 153) = ( 0.1829268 0.1056129 0.2897051), wk = 0.0033784 k( 154) = ( 0.1951219 0.1126537 0.2897051), wk = 0.0033784 k( 155) = ( 0.2073171 0.1196946 0.2897051), wk = 0.0033784 k( 156) = ( 0.2195122 0.1267354 0.2897051), wk = 0.0033784 k( 157) = ( 0.2317073 0.1337763 0.2897051), wk = 0.0033784 k( 158) = ( 0.2439024 0.1408171 0.2897051), wk = 0.0033784 k( 159) = ( 0.2560976 0.1478580 0.2897051), wk = 0.0033784 k( 160) = ( 0.2682927 0.1548989 0.2897051), wk = 0.0033784 k( 161) = ( 0.2804878 0.1619397 0.2897051), wk = 0.0033784 k( 162) = ( 0.2926829 0.1689806 0.2897051), wk = 0.0033784 k( 163) = ( 0.3048781 0.1760214 0.2897051), wk = 0.0033784 k( 164) = ( 0.3170732 0.1830623 0.2897051), wk = 0.0033784 k( 165) = ( 0.3292683 0.1901031 0.2897051), wk = 0.0033784 k( 166) = ( 0.3414634 0.1971440 0.2897051), wk = 0.0033784 k( 167) = ( 0.3536585 0.2041849 0.2897051), wk = 0.0033784 k( 168) = ( 0.3658537 0.2112257 0.2897051), wk = 0.0033784 k( 169) = ( 0.3780488 0.2182666 0.2897051), wk = 0.0033784 k( 170) = ( 0.3902439 0.2253074 0.2897051), wk = 0.0033784 k( 171) = ( 0.4024390 0.2323483 0.2897051), wk = 0.0033784 k( 172) = ( 0.4146341 0.2393891 0.2897051), wk = 0.0033784 k( 173) = ( 0.4268293 0.2464300 0.2897051), wk = 0.0033784 k( 174) = ( 0.4390244 0.2534708 0.2897051), wk = 0.0033784 k( 175) = ( 0.4512195 0.2605117 0.2897051), wk = 0.0033784 k( 176) = ( 0.4634146 0.2675526 0.2897051), wk = 0.0033784 k( 177) = ( 0.4756098 0.2745934 0.2897051), wk = 0.0033784 k( 178) = ( 0.4878049 0.2816343 0.2897051), wk = 0.0033784 k( 179) = ( 0.5000000 0.2886751 0.2897051), wk = 0.0033784 k( 180) = ( 0.5000000 0.2886751 0.2897051), wk = 0.0033784 k( 181) = ( 0.4930556 0.3007033 0.2897051), wk = 0.0033784 k( 182) = ( 0.4861111 0.3127314 0.2897051), wk = 0.0033784 k( 183) = ( 0.4791667 0.3247595 0.2897051), wk = 0.0033784 k( 184) = ( 0.4722222 0.3367877 0.2897051), wk = 0.0033784 k( 185) = ( 0.4652778 0.3488158 0.2897051), wk = 0.0033784 k( 186) = ( 0.4583333 0.3608439 0.2897051), wk = 0.0033784 k( 187) = ( 0.4513889 0.3728720 0.2897051), wk = 0.0033784 k( 188) = ( 0.4444444 0.3849002 0.2897051), wk = 0.0033784 k( 189) = ( 0.4375000 0.3969283 0.2897051), wk = 0.0033784 k( 190) = ( 0.4305556 0.4089564 0.2897051), wk = 0.0033784 k( 191) = ( 0.4236111 0.4209846 0.2897051), wk = 0.0033784 k( 192) = ( 0.4166667 0.4330127 0.2897051), wk = 0.0033784 k( 193) = ( 0.4097222 0.4450408 0.2897051), wk = 0.0033784 k( 194) = ( 0.4027778 0.4570690 0.2897051), wk = 0.0033784 k( 195) = ( 0.3958333 0.4690971 0.2897051), wk = 0.0033784 k( 196) = ( 0.3888889 0.4811252 0.2897051), wk = 0.0033784 k( 197) = ( 0.3819444 0.4931534 0.2897051), wk = 0.0033784 k( 198) = ( 0.3750000 0.5051815 0.2897051), wk = 0.0033784 k( 199) = ( 0.3680556 0.5172096 0.2897051), wk = 0.0033784 k( 200) = ( 0.3611111 0.5292377 0.2897051), wk = 0.0033784 k( 201) = ( 0.3541667 0.5412659 0.2897051), wk = 0.0033784 k( 202) = ( 0.3472222 0.5532940 0.2897051), wk = 0.0033784 k( 203) = ( 0.3402778 0.5653221 0.2897051), wk = 0.0033784 k( 204) = ( 0.3333333 0.5773503 0.2897051), wk = 0.0033784 k( 205) = ( 0.3333333 0.5773503 0.2897051), wk = 0.0033784 k( 206) = ( 0.3262411 0.5650662 0.2897051), wk = 0.0033784 k( 207) = ( 0.3191489 0.5527822 0.2897051), wk = 0.0033784 k( 208) = ( 0.3120567 0.5404981 0.2897051), wk = 0.0033784 k( 209) = ( 0.3049645 0.5282141 0.2897051), wk = 0.0033784 k( 210) = ( 0.2978723 0.5159300 0.2897051), wk = 0.0033784 k( 211) = ( 0.2907801 0.5036460 0.2897051), wk = 0.0033784 k( 212) = ( 0.2836879 0.4913619 0.2897051), wk = 0.0033784 k( 213) = ( 0.2765957 0.4790779 0.2897051), wk = 0.0033784 k( 214) = ( 0.2695035 0.4667938 0.2897051), wk = 0.0033784 k( 215) = ( 0.2624113 0.4545098 0.2897051), wk = 0.0033784 k( 216) = ( 0.2553191 0.4422257 0.2897051), wk = 0.0033784 k( 217) = ( 0.2482270 0.4299417 0.2897051), wk = 0.0033784 k( 218) = ( 0.2411348 0.4176576 0.2897051), wk = 0.0033784 k( 219) = ( 0.2340425 0.4053736 0.2897051), wk = 0.0033784 k( 220) = ( 0.2269503 0.3930895 0.2897051), wk = 0.0033784 k( 221) = ( 0.2198582 0.3808055 0.2897051), wk = 0.0033784 k( 222) = ( 0.2127660 0.3685215 0.2897051), wk = 0.0033784 k( 223) = ( 0.2056738 0.3562374 0.2897051), wk = 0.0033784 k( 224) = ( 0.1985816 0.3439534 0.2897051), wk = 0.0033784 k( 225) = ( 0.1914894 0.3316693 0.2897051), wk = 0.0033784 k( 226) = ( 0.1843972 0.3193852 0.2897051), wk = 0.0033784 k( 227) = ( 0.1773050 0.3071012 0.2897051), wk = 0.0033784 k( 228) = ( 0.1702128 0.2948172 0.2897051), wk = 0.0033784 k( 229) = ( 0.1631206 0.2825331 0.2897051), wk = 0.0033784 k( 230) = ( 0.1560284 0.2702491 0.2897051), wk = 0.0033784 k( 231) = ( 0.1489362 0.2579650 0.2897051), wk = 0.0033784 k( 232) = ( 0.1418440 0.2456810 0.2897051), wk = 0.0033784 k( 233) = ( 0.1347518 0.2333969 0.2897051), wk = 0.0033784 k( 234) = ( 0.1276596 0.2211129 0.2897051), wk = 0.0033784 k( 235) = ( 0.1205674 0.2088288 0.2897051), wk = 0.0033784 k( 236) = ( 0.1134752 0.1965448 0.2897051), wk = 0.0033784 k( 237) = ( 0.1063830 0.1842607 0.2897051), wk = 0.0033784 k( 238) = ( 0.0992908 0.1719767 0.2897051), wk = 0.0033784 k( 239) = ( 0.0921986 0.1596926 0.2897051), wk = 0.0033784 k( 240) = ( 0.0851064 0.1474086 0.2897051), wk = 0.0033784 k( 241) = ( 0.0780142 0.1351245 0.2897051), wk = 0.0033784 k( 242) = ( 0.0709220 0.1228405 0.2897051), wk = 0.0033784 k( 243) = ( 0.0638298 0.1105564 0.2897051), wk = 0.0033784 k( 244) = ( 0.0567376 0.0982724 0.2897051), wk = 0.0033784 k( 245) = ( 0.0496454 0.0859883 0.2897051), wk = 0.0033784 k( 246) = ( 0.0425532 0.0737043 0.2897051), wk = 0.0033784 k( 247) = ( 0.0354610 0.0614202 0.2897051), wk = 0.0033784 k( 248) = ( 0.0283688 0.0491362 0.2897051), wk = 0.0033784 k( 249) = ( 0.0212766 0.0368522 0.2897051), wk = 0.0033784 k( 250) = ( 0.0141844 0.0245681 0.2897051), wk = 0.0033784 k( 251) = ( 0.0070922 0.0122841 0.2897051), wk = 0.0033784 k( 252) = ( 0.0000000 0.0000000 0.2897051), wk = 0.0033784 k( 253) = ( 0.5000000 0.2886751 0.2897051), wk = 0.0033784 k( 254) = ( 0.5000000 0.2886751 0.2759096), wk = 0.0033784 k( 255) = ( 0.5000000 0.2886751 0.2621142), wk = 0.0033784 k( 256) = ( 0.5000000 0.2886751 0.2483187), wk = 0.0033784 k( 257) = ( 0.5000000 0.2886751 0.2345232), wk = 0.0033784 k( 258) = ( 0.5000000 0.2886751 0.2207277), wk = 0.0033784 k( 259) = ( 0.5000000 0.2886751 0.2069322), wk = 0.0033784 k( 260) = ( 0.5000000 0.2886751 0.1931367), wk = 0.0033784 k( 261) = ( 0.5000000 0.2886751 0.1793413), wk = 0.0033784 k( 262) = ( 0.5000000 0.2886751 0.1655458), wk = 0.0033784 k( 263) = ( 0.5000000 0.2886751 0.1517503), wk = 0.0033784 k( 264) = ( 0.5000000 0.2886751 0.1379548), wk = 0.0033784 k( 265) = ( 0.5000000 0.2886751 0.1241593), wk = 0.0033784 k( 266) = ( 0.5000000 0.2886751 0.1103639), wk = 0.0033784 k( 267) = ( 0.5000000 0.2886751 0.0965684), wk = 0.0033784 k( 268) = ( 0.5000000 0.2886751 0.0827729), wk = 0.0033784 k( 269) = ( 0.5000000 0.2886751 0.0689774), wk = 0.0033784 k( 270) = ( 0.5000000 0.2886751 0.0551819), wk = 0.0033784 k( 271) = ( 0.5000000 0.2886751 0.0413864), wk = 0.0033784 k( 272) = ( 0.5000000 0.2886751 0.0275910), wk = 0.0033784 k( 273) = ( 0.5000000 0.2886751 0.0137955), wk = 0.0033784 k( 274) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033784 k( 275) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033784 k( 276) = ( 0.3333333 0.5773503 0.0137955), wk = 0.0033784 k( 277) = ( 0.3333333 0.5773503 0.0275910), wk = 0.0033784 k( 278) = ( 0.3333333 0.5773503 0.0413864), wk = 0.0033784 k( 279) = ( 0.3333333 0.5773503 0.0551819), wk = 0.0033784 k( 280) = ( 0.3333333 0.5773503 0.0689774), wk = 0.0033784 k( 281) = ( 0.3333333 0.5773503 0.0827729), wk = 0.0033784 k( 282) = ( 0.3333333 0.5773503 0.0965684), wk = 0.0033784 k( 283) = ( 0.3333333 0.5773503 0.1103639), wk = 0.0033784 k( 284) = ( 0.3333333 0.5773503 0.1241593), wk = 0.0033784 k( 285) = ( 0.3333333 0.5773503 0.1379548), wk = 0.0033784 k( 286) = ( 0.3333333 0.5773503 0.1517503), wk = 0.0033784 k( 287) = ( 0.3333333 0.5773503 0.1655458), wk = 0.0033784 k( 288) = ( 0.3333333 0.5773503 0.1793413), wk = 0.0033784 k( 289) = ( 0.3333333 0.5773503 0.1931367), wk = 0.0033784 k( 290) = ( 0.3333333 0.5773503 0.2069322), wk = 0.0033784 k( 291) = ( 0.3333333 0.5773503 0.2207277), wk = 0.0033784 k( 292) = ( 0.3333333 0.5773503 0.2345232), wk = 0.0033784 k( 293) = ( 0.3333333 0.5773503 0.2483187), wk = 0.0033784 k( 294) = ( 0.3333333 0.5773503 0.2621142), wk = 0.0033784 k( 295) = ( 0.3333333 0.5773503 0.2759096), wk = 0.0033784 k( 296) = ( 0.3333333 0.5773503 0.2897051), wk = 0.0033784 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 2) = ( 0.0121951 -0.0000000 0.0000000), wk = 0.0033784 k( 3) = ( 0.0243902 -0.0000000 0.0000000), wk = 0.0033784 k( 4) = ( 0.0365854 -0.0000000 0.0000000), wk = 0.0033784 k( 5) = ( 0.0487805 -0.0000000 0.0000000), wk = 0.0033784 k( 6) = ( 0.0609756 -0.0000000 0.0000000), wk = 0.0033784 k( 7) = ( 0.0731707 -0.0000000 0.0000000), wk = 0.0033784 k( 8) = ( 0.0853658 -0.0000000 0.0000000), wk = 0.0033784 k( 9) = ( 0.0975610 -0.0000000 0.0000000), wk = 0.0033784 k( 10) = ( 0.1097561 -0.0000000 0.0000000), wk = 0.0033784 k( 11) = ( 0.1219512 -0.0000000 0.0000000), wk = 0.0033784 k( 12) = ( 0.1341463 -0.0000000 0.0000000), wk = 0.0033784 k( 13) = ( 0.1463415 -0.0000000 0.0000000), wk = 0.0033784 k( 14) = ( 0.1585366 -0.0000000 0.0000000), wk = 0.0033784 k( 15) = ( 0.1707317 -0.0000000 -0.0000000), wk = 0.0033784 k( 16) = ( 0.1829268 -0.0000000 0.0000000), wk = 0.0033784 k( 17) = ( 0.1951219 -0.0000000 -0.0000000), wk = 0.0033784 k( 18) = ( 0.2073171 -0.0000000 0.0000000), wk = 0.0033784 k( 19) = ( 0.2195122 -0.0000000 0.0000000), wk = 0.0033784 k( 20) = ( 0.2317073 -0.0000000 -0.0000000), wk = 0.0033784 k( 21) = ( 0.2439024 -0.0000000 0.0000000), wk = 0.0033784 k( 22) = ( 0.2560976 -0.0000000 -0.0000000), wk = 0.0033784 k( 23) = ( 0.2682927 -0.0000000 0.0000000), wk = 0.0033784 k( 24) = ( 0.2804878 -0.0000000 0.0000000), wk = 0.0033784 k( 25) = ( 0.2926829 -0.0000000 0.0000000), wk = 0.0033784 k( 26) = ( 0.3048781 -0.0000000 0.0000000), wk = 0.0033784 k( 27) = ( 0.3170732 -0.0000000 0.0000000), wk = 0.0033784 k( 28) = ( 0.3292683 -0.0000000 0.0000000), wk = 0.0033784 k( 29) = ( 0.3414634 -0.0000000 0.0000000), wk = 0.0033784 k( 30) = ( 0.3536585 -0.0000000 0.0000000), wk = 0.0033784 k( 31) = ( 0.3658537 -0.0000000 0.0000000), wk = 0.0033784 k( 32) = ( 0.3780488 -0.0000000 0.0000000), wk = 0.0033784 k( 33) = ( 0.3902439 -0.0000000 -0.0000000), wk = 0.0033784 k( 34) = ( 0.4024390 -0.0000000 0.0000000), wk = 0.0033784 k( 35) = ( 0.4146341 -0.0000000 0.0000000), wk = 0.0033784 k( 36) = ( 0.4268293 -0.0000000 -0.0000000), wk = 0.0033784 k( 37) = ( 0.4390244 -0.0000000 0.0000000), wk = 0.0033784 k( 38) = ( 0.4512195 -0.0000000 0.0000000), wk = 0.0033784 k( 39) = ( 0.4634146 -0.0000000 0.0000000), wk = 0.0033784 k( 40) = ( 0.4756098 -0.0000000 0.0000000), wk = 0.0033784 k( 41) = ( 0.4878049 -0.0000000 0.0000000), wk = 0.0033784 k( 42) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0033784 k( 43) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0033784 k( 44) = ( 0.4930556 0.0138889 0.0000000), wk = 0.0033784 k( 45) = ( 0.4861111 0.0277778 -0.0000000), wk = 0.0033784 k( 46) = ( 0.4791667 0.0416667 -0.0000000), wk = 0.0033784 k( 47) = ( 0.4722222 0.0555556 0.0000000), wk = 0.0033784 k( 48) = ( 0.4652778 0.0694444 -0.0000000), wk = 0.0033784 k( 49) = ( 0.4583333 0.0833333 -0.0000000), wk = 0.0033784 k( 50) = ( 0.4513889 0.0972222 0.0000000), wk = 0.0033784 k( 51) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0033784 k( 52) = ( 0.4375000 0.1250000 0.0000000), wk = 0.0033784 k( 53) = ( 0.4305556 0.1388889 0.0000000), wk = 0.0033784 k( 54) = ( 0.4236111 0.1527778 0.0000000), wk = 0.0033784 k( 55) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0033784 k( 56) = ( 0.4097222 0.1805556 -0.0000000), wk = 0.0033784 k( 57) = ( 0.4027778 0.1944444 0.0000000), wk = 0.0033784 k( 58) = ( 0.3958333 0.2083333 0.0000000), wk = 0.0033784 k( 59) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0033784 k( 60) = ( 0.3819444 0.2361111 0.0000000), wk = 0.0033784 k( 61) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0033784 k( 62) = ( 0.3680556 0.2638889 0.0000000), wk = 0.0033784 k( 63) = ( 0.3611111 0.2777778 0.0000000), wk = 0.0033784 k( 64) = ( 0.3541667 0.2916667 0.0000000), wk = 0.0033784 k( 65) = ( 0.3472222 0.3055556 -0.0000000), wk = 0.0033784 k( 66) = ( 0.3402778 0.3194444 0.0000000), wk = 0.0033784 k( 67) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033784 k( 68) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033784 k( 69) = ( 0.3262411 0.3262411 -0.0000000), wk = 0.0033784 k( 70) = ( 0.3191489 0.3191489 0.0000000), wk = 0.0033784 k( 71) = ( 0.3120567 0.3120567 -0.0000000), wk = 0.0033784 k( 72) = ( 0.3049645 0.3049645 -0.0000000), wk = 0.0033784 k( 73) = ( 0.2978723 0.2978723 0.0000000), wk = 0.0033784 k( 74) = ( 0.2907801 0.2907801 -0.0000000), wk = 0.0033784 k( 75) = ( 0.2836879 0.2836879 -0.0000000), wk = 0.0033784 k( 76) = ( 0.2765957 0.2765957 0.0000000), wk = 0.0033784 k( 77) = ( 0.2695035 0.2695035 0.0000000), wk = 0.0033784 k( 78) = ( 0.2624113 0.2624113 -0.0000000), wk = 0.0033784 k( 79) = ( 0.2553191 0.2553191 -0.0000000), wk = 0.0033784 k( 80) = ( 0.2482270 0.2482269 -0.0000000), wk = 0.0033784 k( 81) = ( 0.2411348 0.2411347 0.0000000), wk = 0.0033784 k( 82) = ( 0.2340425 0.2340425 0.0000000), wk = 0.0033784 k( 83) = ( 0.2269503 0.2269503 0.0000000), wk = 0.0033784 k( 84) = ( 0.2198582 0.2198582 0.0000000), wk = 0.0033784 k( 85) = ( 0.2127660 0.2127660 0.0000000), wk = 0.0033784 k( 86) = ( 0.2056738 0.2056738 0.0000000), wk = 0.0033784 k( 87) = ( 0.1985816 0.1985816 -0.0000000), wk = 0.0033784 k( 88) = ( 0.1914894 0.1914894 -0.0000000), wk = 0.0033784 k( 89) = ( 0.1843972 0.1843972 0.0000000), wk = 0.0033784 k( 90) = ( 0.1773050 0.1773050 -0.0000000), wk = 0.0033784 k( 91) = ( 0.1702128 0.1702128 0.0000000), wk = 0.0033784 k( 92) = ( 0.1631206 0.1631206 -0.0000000), wk = 0.0033784 k( 93) = ( 0.1560284 0.1560284 -0.0000000), wk = 0.0033784 k( 94) = ( 0.1489362 0.1489362 0.0000000), wk = 0.0033784 k( 95) = ( 0.1418440 0.1418440 -0.0000000), wk = 0.0033784 k( 96) = ( 0.1347518 0.1347518 -0.0000000), wk = 0.0033784 k( 97) = ( 0.1276596 0.1276596 -0.0000000), wk = 0.0033784 k( 98) = ( 0.1205674 0.1205674 -0.0000000), wk = 0.0033784 k( 99) = ( 0.1134752 0.1134752 -0.0000000), wk = 0.0033784 k( 100) = ( 0.1063830 0.1063830 0.0000000), wk = 0.0033784 k( 101) = ( 0.0992908 0.0992908 -0.0000000), wk = 0.0033784 k( 102) = ( 0.0921986 0.0921986 0.0000000), wk = 0.0033784 k( 103) = ( 0.0851064 0.0851064 0.0000000), wk = 0.0033784 k( 104) = ( 0.0780142 0.0780142 -0.0000000), wk = 0.0033784 k( 105) = ( 0.0709220 0.0709220 0.0000000), wk = 0.0033784 k( 106) = ( 0.0638298 0.0638298 0.0000000), wk = 0.0033784 k( 107) = ( 0.0567376 0.0567376 -0.0000000), wk = 0.0033784 k( 108) = ( 0.0496454 0.0496454 -0.0000000), wk = 0.0033784 k( 109) = ( 0.0425532 0.0425532 0.0000000), wk = 0.0033784 k( 110) = ( 0.0354610 0.0354610 0.0000000), wk = 0.0033784 k( 111) = ( 0.0283688 0.0283688 -0.0000000), wk = 0.0033784 k( 112) = ( 0.0212766 0.0212766 -0.0000000), wk = 0.0033784 k( 113) = ( 0.0141844 0.0141844 0.0000000), wk = 0.0033784 k( 114) = ( 0.0070922 0.0070922 0.0000000), wk = 0.0033784 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 117) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0033784 k( 118) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0033784 k( 119) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0033784 k( 120) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0033784 k( 121) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0033784 k( 122) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0033784 k( 123) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0033784 k( 124) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0033784 k( 125) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0033784 k( 126) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0033784 k( 127) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0033784 k( 128) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0033784 k( 129) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0033784 k( 130) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0033784 k( 131) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0033784 k( 132) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0033784 k( 133) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0033784 k( 134) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0033784 k( 135) = ( 0.0000000 0.0000000 0.4523810), wk = 0.0033784 k( 136) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0033784 k( 137) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033784 k( 138) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033784 k( 139) = ( 0.0121951 -0.0000000 0.5000000), wk = 0.0033784 k( 140) = ( 0.0243902 -0.0000000 0.5000000), wk = 0.0033784 k( 141) = ( 0.0365854 -0.0000000 0.5000000), wk = 0.0033784 k( 142) = ( 0.0487805 -0.0000000 0.5000000), wk = 0.0033784 k( 143) = ( 0.0609756 -0.0000000 0.5000000), wk = 0.0033784 k( 144) = ( 0.0731707 -0.0000000 0.5000000), wk = 0.0033784 k( 145) = ( 0.0853658 -0.0000000 0.5000000), wk = 0.0033784 k( 146) = ( 0.0975610 -0.0000000 0.5000000), wk = 0.0033784 k( 147) = ( 0.1097561 -0.0000000 0.5000000), wk = 0.0033784 k( 148) = ( 0.1219512 -0.0000000 0.5000000), wk = 0.0033784 k( 149) = ( 0.1341463 -0.0000000 0.5000000), wk = 0.0033784 k( 150) = ( 0.1463415 -0.0000000 0.5000000), wk = 0.0033784 k( 151) = ( 0.1585366 -0.0000000 0.5000000), wk = 0.0033784 k( 152) = ( 0.1707317 -0.0000000 0.5000000), wk = 0.0033784 k( 153) = ( 0.1829268 -0.0000000 0.5000000), wk = 0.0033784 k( 154) = ( 0.1951219 -0.0000000 0.5000000), wk = 0.0033784 k( 155) = ( 0.2073171 -0.0000000 0.5000000), wk = 0.0033784 k( 156) = ( 0.2195122 -0.0000000 0.5000000), wk = 0.0033784 k( 157) = ( 0.2317073 -0.0000000 0.5000000), wk = 0.0033784 k( 158) = ( 0.2439024 -0.0000000 0.5000000), wk = 0.0033784 k( 159) = ( 0.2560976 -0.0000000 0.5000000), wk = 0.0033784 k( 160) = ( 0.2682927 -0.0000000 0.5000000), wk = 0.0033784 k( 161) = ( 0.2804878 -0.0000000 0.5000000), wk = 0.0033784 k( 162) = ( 0.2926829 -0.0000000 0.5000000), wk = 0.0033784 k( 163) = ( 0.3048781 -0.0000000 0.5000000), wk = 0.0033784 k( 164) = ( 0.3170732 -0.0000000 0.5000000), wk = 0.0033784 k( 165) = ( 0.3292683 -0.0000000 0.5000000), wk = 0.0033784 k( 166) = ( 0.3414634 -0.0000000 0.5000000), wk = 0.0033784 k( 167) = ( 0.3536585 -0.0000000 0.5000000), wk = 0.0033784 k( 168) = ( 0.3658537 -0.0000000 0.5000000), wk = 0.0033784 k( 169) = ( 0.3780488 -0.0000000 0.5000000), wk = 0.0033784 k( 170) = ( 0.3902439 -0.0000000 0.5000000), wk = 0.0033784 k( 171) = ( 0.4024390 -0.0000000 0.5000000), wk = 0.0033784 k( 172) = ( 0.4146341 -0.0000000 0.5000000), wk = 0.0033784 k( 173) = ( 0.4268293 -0.0000000 0.5000000), wk = 0.0033784 k( 174) = ( 0.4390244 -0.0000000 0.5000000), wk = 0.0033784 k( 175) = ( 0.4512195 -0.0000000 0.5000000), wk = 0.0033784 k( 176) = ( 0.4634146 -0.0000000 0.5000000), wk = 0.0033784 k( 177) = ( 0.4756098 -0.0000000 0.5000000), wk = 0.0033784 k( 178) = ( 0.4878049 -0.0000000 0.5000000), wk = 0.0033784 k( 179) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0033784 k( 180) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0033784 k( 181) = ( 0.4930556 0.0138889 0.5000000), wk = 0.0033784 k( 182) = ( 0.4861111 0.0277778 0.5000000), wk = 0.0033784 k( 183) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0033784 k( 184) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0033784 k( 185) = ( 0.4652778 0.0694444 0.5000000), wk = 0.0033784 k( 186) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0033784 k( 187) = ( 0.4513889 0.0972222 0.5000000), wk = 0.0033784 k( 188) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0033784 k( 189) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0033784 k( 190) = ( 0.4305556 0.1388889 0.5000000), wk = 0.0033784 k( 191) = ( 0.4236111 0.1527778 0.5000000), wk = 0.0033784 k( 192) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0033784 k( 193) = ( 0.4097222 0.1805556 0.5000000), wk = 0.0033784 k( 194) = ( 0.4027778 0.1944444 0.5000000), wk = 0.0033784 k( 195) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0033784 k( 196) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0033784 k( 197) = ( 0.3819444 0.2361111 0.5000000), wk = 0.0033784 k( 198) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0033784 k( 199) = ( 0.3680556 0.2638889 0.5000000), wk = 0.0033784 k( 200) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0033784 k( 201) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0033784 k( 202) = ( 0.3472222 0.3055556 0.5000000), wk = 0.0033784 k( 203) = ( 0.3402778 0.3194444 0.5000000), wk = 0.0033784 k( 204) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033784 k( 205) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033784 k( 206) = ( 0.3262411 0.3262411 0.5000000), wk = 0.0033784 k( 207) = ( 0.3191489 0.3191489 0.5000000), wk = 0.0033784 k( 208) = ( 0.3120567 0.3120567 0.5000000), wk = 0.0033784 k( 209) = ( 0.3049645 0.3049645 0.5000000), wk = 0.0033784 k( 210) = ( 0.2978723 0.2978723 0.5000000), wk = 0.0033784 k( 211) = ( 0.2907801 0.2907801 0.5000000), wk = 0.0033784 k( 212) = ( 0.2836879 0.2836879 0.5000000), wk = 0.0033784 k( 213) = ( 0.2765957 0.2765957 0.5000000), wk = 0.0033784 k( 214) = ( 0.2695035 0.2695035 0.5000000), wk = 0.0033784 k( 215) = ( 0.2624113 0.2624113 0.5000000), wk = 0.0033784 k( 216) = ( 0.2553191 0.2553191 0.5000000), wk = 0.0033784 k( 217) = ( 0.2482270 0.2482269 0.5000000), wk = 0.0033784 k( 218) = ( 0.2411348 0.2411347 0.5000000), wk = 0.0033784 k( 219) = ( 0.2340425 0.2340425 0.5000000), wk = 0.0033784 k( 220) = ( 0.2269503 0.2269503 0.5000000), wk = 0.0033784 k( 221) = ( 0.2198582 0.2198582 0.5000000), wk = 0.0033784 k( 222) = ( 0.2127660 0.2127660 0.5000000), wk = 0.0033784 k( 223) = ( 0.2056738 0.2056738 0.5000000), wk = 0.0033784 k( 224) = ( 0.1985816 0.1985816 0.5000000), wk = 0.0033784 k( 225) = ( 0.1914894 0.1914894 0.5000000), wk = 0.0033784 k( 226) = ( 0.1843972 0.1843972 0.5000000), wk = 0.0033784 k( 227) = ( 0.1773050 0.1773050 0.5000000), wk = 0.0033784 k( 228) = ( 0.1702128 0.1702128 0.5000000), wk = 0.0033784 k( 229) = ( 0.1631206 0.1631206 0.5000000), wk = 0.0033784 k( 230) = ( 0.1560284 0.1560284 0.5000000), wk = 0.0033784 k( 231) = ( 0.1489362 0.1489362 0.5000000), wk = 0.0033784 k( 232) = ( 0.1418440 0.1418440 0.5000000), wk = 0.0033784 k( 233) = ( 0.1347518 0.1347518 0.5000000), wk = 0.0033784 k( 234) = ( 0.1276596 0.1276596 0.5000000), wk = 0.0033784 k( 235) = ( 0.1205674 0.1205674 0.5000000), wk = 0.0033784 k( 236) = ( 0.1134752 0.1134752 0.5000000), wk = 0.0033784 k( 237) = ( 0.1063830 0.1063830 0.5000000), wk = 0.0033784 k( 238) = ( 0.0992908 0.0992908 0.5000000), wk = 0.0033784 k( 239) = ( 0.0921986 0.0921986 0.5000000), wk = 0.0033784 k( 240) = ( 0.0851064 0.0851064 0.5000000), wk = 0.0033784 k( 241) = ( 0.0780142 0.0780142 0.5000000), wk = 0.0033784 k( 242) = ( 0.0709220 0.0709220 0.5000000), wk = 0.0033784 k( 243) = ( 0.0638298 0.0638298 0.5000000), wk = 0.0033784 k( 244) = ( 0.0567376 0.0567376 0.5000000), wk = 0.0033784 k( 245) = ( 0.0496454 0.0496454 0.5000000), wk = 0.0033784 k( 246) = ( 0.0425532 0.0425532 0.5000000), wk = 0.0033784 k( 247) = ( 0.0354610 0.0354610 0.5000000), wk = 0.0033784 k( 248) = ( 0.0283688 0.0283688 0.5000000), wk = 0.0033784 k( 249) = ( 0.0212766 0.0212766 0.5000000), wk = 0.0033784 k( 250) = ( 0.0141844 0.0141844 0.5000000), wk = 0.0033784 k( 251) = ( 0.0070922 0.0070922 0.5000000), wk = 0.0033784 k( 252) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033784 k( 253) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0033784 k( 254) = ( 0.5000000 -0.0000000 0.4761905), wk = 0.0033784 k( 255) = ( 0.5000000 -0.0000000 0.4523809), wk = 0.0033784 k( 256) = ( 0.5000000 -0.0000000 0.4285714), wk = 0.0033784 k( 257) = ( 0.5000000 -0.0000000 0.4047619), wk = 0.0033784 k( 258) = ( 0.5000000 -0.0000000 0.3809524), wk = 0.0033784 k( 259) = ( 0.5000000 -0.0000000 0.3571429), wk = 0.0033784 k( 260) = ( 0.5000000 -0.0000000 0.3333333), wk = 0.0033784 k( 261) = ( 0.5000000 -0.0000000 0.3095238), wk = 0.0033784 k( 262) = ( 0.5000000 -0.0000000 0.2857143), wk = 0.0033784 k( 263) = ( 0.5000000 -0.0000000 0.2619048), wk = 0.0033784 k( 264) = ( 0.5000000 -0.0000000 0.2380952), wk = 0.0033784 k( 265) = ( 0.5000000 -0.0000000 0.2142857), wk = 0.0033784 k( 266) = ( 0.5000000 -0.0000000 0.1904762), wk = 0.0033784 k( 267) = ( 0.5000000 -0.0000000 0.1666667), wk = 0.0033784 k( 268) = ( 0.5000000 -0.0000000 0.1428571), wk = 0.0033784 k( 269) = ( 0.5000000 -0.0000000 0.1190476), wk = 0.0033784 k( 270) = ( 0.5000000 -0.0000000 0.0952381), wk = 0.0033784 k( 271) = ( 0.5000000 -0.0000000 0.0714286), wk = 0.0033784 k( 272) = ( 0.5000000 -0.0000000 0.0476191), wk = 0.0033784 k( 273) = ( 0.5000000 -0.0000000 0.0238095), wk = 0.0033784 k( 274) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0033784 k( 275) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033784 k( 276) = ( 0.3333333 0.3333333 0.0238095), wk = 0.0033784 k( 277) = ( 0.3333333 0.3333333 0.0476191), wk = 0.0033784 k( 278) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0033784 k( 279) = ( 0.3333333 0.3333333 0.0952381), wk = 0.0033784 k( 280) = ( 0.3333333 0.3333333 0.1190476), wk = 0.0033784 k( 281) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0033784 k( 282) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0033784 k( 283) = ( 0.3333333 0.3333333 0.1904762), wk = 0.0033784 k( 284) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0033784 k( 285) = ( 0.3333333 0.3333333 0.2380952), wk = 0.0033784 k( 286) = ( 0.3333333 0.3333333 0.2619048), wk = 0.0033784 k( 287) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0033784 k( 288) = ( 0.3333333 0.3333333 0.3095238), wk = 0.0033784 k( 289) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0033784 k( 290) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0033784 k( 291) = ( 0.3333333 0.3333333 0.3809524), wk = 0.0033784 k( 292) = ( 0.3333333 0.3333333 0.4047619), wk = 0.0033784 k( 293) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0033784 k( 294) = ( 0.3333333 0.3333333 0.4523810), wk = 0.0033784 k( 295) = ( 0.3333333 0.3333333 0.4761905), wk = 0.0033784 k( 296) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033784 Dense grid: 116173 G-vectors FFT dimensions: ( 54, 54, 96) Smooth grid: 55541 G-vectors FFT dimensions: ( 45, 45, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.28 Mb ( 388, 48) NL pseudopotentials 0.27 Mb ( 194, 91) Each V/rho on FFT grid 0.13 Mb ( 8748) Each G-vector array 0.02 Mb ( 3225) G-vector shells 0.01 Mb ( 1604) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.14 Mb ( 388, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.13 Mb ( 91, 2, 48) Check: negative/imaginary core charge= -0.000007 0.000000 The potential is recalculated from file : ./BaxMgAsx2.save/charge-density.dat Starting wfc are 46 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.8 secs Computing kpt #: 2 total cpu time spent up to now is 3.5 secs Computing kpt #: 3 total cpu time spent up to now is 4.2 secs Computing kpt #: 4 total cpu time spent up to now is 4.9 secs Computing kpt #: 5 total cpu time spent up to now is 5.6 secs Computing kpt #: 6 total cpu time spent up to now is 6.3 secs Computing kpt #: 7 total cpu time spent up to now is 7.0 secs Computing kpt #: 8 total cpu time spent up to now is 7.5 secs Computing kpt #: 9 total cpu time spent up to now is 8.0 secs Computing kpt #: 10 total cpu time spent up to now is 8.6 secs Computing kpt #: 11 total cpu time spent up to now is 9.3 secs Computing kpt #: 12 total cpu time spent up to now is 9.9 secs Computing kpt #: 13 total cpu time spent up to now is 10.6 secs Computing kpt #: 14 total cpu time spent up to now is 11.3 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 13.1 secs Computing kpt #: 18 total cpu time spent up to now is 13.7 secs Computing kpt #: 19 total cpu time spent up to now is 14.2 secs Computing kpt #: 20 total cpu time spent up to now is 14.7 secs Computing kpt #: 21 total cpu time spent up to now is 15.4 secs Computing kpt #: 22 total cpu time spent up to now is 16.0 secs Computing kpt #: 23 total cpu time spent up to now is 16.7 secs Computing kpt #: 24 total cpu time spent up to now is 17.5 secs Computing kpt #: 25 total cpu time spent up to now is 18.2 secs Computing kpt #: 26 total cpu time spent up to now is 18.7 secs Computing kpt #: 27 total cpu time spent up to now is 19.2 secs Computing kpt #: 28 total cpu time spent up to now is 19.7 secs Computing kpt #: 29 total cpu time spent up to now is 20.2 secs Computing kpt #: 30 total cpu time spent up to now is 20.7 secs Computing kpt #: 31 total cpu time spent up to now is 21.2 secs Computing kpt #: 32 total cpu time spent up to now is 21.6 secs Computing kpt #: 33 total cpu time spent up to now is 22.0 secs Computing kpt #: 34 total cpu time spent up to now is 22.4 secs Computing kpt #: 35 total cpu time spent up to now is 22.8 secs Computing kpt #: 36 total cpu time spent up to now is 23.2 secs Computing kpt #: 37 total cpu time spent up to now is 23.6 secs Computing kpt #: 38 total cpu time spent up to now is 24.0 secs Computing kpt #: 39 total cpu time spent up to now is 24.4 secs Computing kpt #: 40 total cpu time spent up to now is 24.8 secs Computing kpt #: 41 total cpu time spent up to now is 25.1 secs Computing kpt #: 42 total cpu time spent up to now is 25.5 secs Computing kpt #: 43 total cpu time spent up to now is 25.9 secs Computing kpt #: 44 total cpu time spent up to now is 26.3 secs Computing kpt #: 45 total cpu time spent up to now is 26.7 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 27.9 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 29.9 secs Computing kpt #: 53 total cpu time spent up to now is 30.4 secs Computing kpt #: 54 total cpu time spent up to now is 30.9 secs Computing kpt #: 55 total cpu time spent up to now is 31.4 secs Computing kpt #: 56 total cpu time spent up to now is 31.9 secs Computing kpt #: 57 total cpu time spent up to now is 32.4 secs Computing kpt #: 58 total cpu time spent up to now is 32.9 secs Computing kpt #: 59 total cpu time spent up to now is 33.4 secs Computing kpt #: 60 total cpu time spent up to now is 33.9 secs Computing kpt #: 61 total cpu time spent up to now is 34.4 secs Computing kpt #: 62 total cpu time spent up to now is 35.1 secs Computing kpt #: 63 total cpu time spent up to now is 35.7 secs Computing kpt #: 64 total cpu time spent up to now is 36.2 secs Computing kpt #: 65 total cpu time spent up to now is 36.7 secs Computing kpt #: 66 total cpu time spent up to now is 37.5 secs Computing kpt #: 67 total cpu time spent up to now is 38.0 secs Computing kpt #: 68 total cpu time spent up to now is 38.5 secs Computing kpt #: 69 total cpu time spent up to now is 39.0 secs Computing kpt #: 70 total cpu time spent up to now is 39.5 secs Computing kpt #: 71 total cpu time spent up to now is 40.0 secs Computing kpt #: 72 total cpu time spent up to now is 40.5 secs Computing kpt #: 73 total cpu time spent up to now is 41.0 secs Computing kpt #: 74 total cpu time spent up to now is 41.6 secs Computing kpt #: 75 total cpu time spent up to now is 42.2 secs Computing kpt #: 76 total cpu time spent up to now is 42.8 secs Computing kpt #: 77 total cpu time spent up to now is 43.4 secs Computing kpt #: 78 total cpu time spent up to now is 43.9 secs Computing kpt #: 79 total cpu time spent up to now is 44.5 secs Computing kpt #: 80 total cpu time spent up to now is 45.0 secs Computing kpt #: 81 total cpu time spent up to now is 45.6 secs Computing kpt #: 82 total cpu time spent up to now is 46.2 secs Computing kpt #: 83 total cpu time spent up to now is 46.7 secs Computing kpt #: 84 total cpu time spent up to now is 47.2 secs Computing kpt #: 85 total cpu time spent up to now is 47.7 secs Computing kpt #: 86 total cpu time spent up to now is 48.2 secs Computing kpt #: 87 total cpu time spent up to now is 48.7 secs Computing kpt #: 88 total cpu time spent up to now is 49.2 secs Computing kpt #: 89 total cpu time spent up to now is 49.7 secs Computing kpt #: 90 total cpu time spent up to now is 50.2 secs Computing kpt #: 91 total cpu time spent up to now is 50.7 secs Computing kpt #: 92 total cpu time spent up to now is 51.2 secs Computing kpt #: 93 total cpu time spent up to now is 51.7 secs Computing kpt #: 94 total cpu time spent up to now is 52.3 secs Computing kpt #: 95 total cpu time spent up to now is 52.9 secs Computing kpt #: 96 total cpu time spent up to now is 53.5 secs Computing kpt #: 97 total cpu time spent up to now is 54.0 secs Computing kpt #: 98 total cpu time spent up to now is 54.6 secs Computing kpt #: 99 total cpu time spent up to now is 55.2 secs Computing kpt #: 100 total cpu time spent up to now is 55.8 secs Computing kpt #: 101 total cpu time spent up to now is 56.4 secs Computing kpt #: 102 total cpu time spent up to now is 56.9 secs Computing kpt #: 103 total cpu time spent up to now is 57.4 secs Computing kpt #: 104 total cpu time spent up to now is 57.9 secs Computing kpt #: 105 total cpu time spent up to now is 58.5 secs Computing kpt #: 106 total cpu time spent up to now is 59.0 secs Computing kpt #: 107 total cpu time spent up to now is 59.5 secs Computing kpt #: 108 total cpu time spent up to now is 60.1 secs Computing kpt #: 109 total cpu time spent up to now is 60.7 secs Computing kpt #: 110 total cpu time spent up to now is 61.3 secs Computing kpt #: 111 total cpu time spent up to now is 62.0 secs Computing kpt #: 112 total cpu time spent up to now is 62.7 secs Computing kpt #: 113 total cpu time spent up to now is 63.4 secs Computing kpt #: 114 total cpu time spent up to now is 64.1 secs Computing kpt #: 115 total cpu time spent up to now is 64.9 secs Computing kpt #: 116 total cpu time spent up to now is 65.6 secs Computing kpt #: 117 total cpu time spent up to now is 66.3 secs Computing kpt #: 118 total cpu time spent up to now is 67.0 secs Computing kpt #: 119 total cpu time spent up to now is 67.7 secs Computing kpt #: 120 total cpu time spent up to now is 68.5 secs Computing kpt #: 121 total cpu time spent up to now is 69.2 secs Computing kpt #: 122 total cpu time spent up to now is 70.0 secs Computing kpt #: 123 total cpu time spent up to now is 70.7 secs Computing kpt #: 124 total cpu time spent up to now is 71.3 secs Computing kpt #: 125 total cpu time spent up to now is 72.0 secs Computing kpt #: 126 total cpu time spent up to now is 72.5 secs Computing kpt #: 127 total cpu time spent up to now is 73.2 secs Computing kpt #: 128 total cpu time spent up to now is 73.8 secs Computing kpt #: 129 total cpu time spent up to now is 74.4 secs Computing kpt #: 130 total cpu time spent up to now is 75.0 secs Computing kpt #: 131 total cpu time spent up to now is 75.5 secs Computing kpt #: 132 total cpu time spent up to now is 76.0 secs Computing kpt #: 133 total cpu time spent up to now is 76.5 secs Computing kpt #: 134 total cpu time spent up to now is 76.9 secs Computing kpt #: 135 total cpu time spent up to now is 77.4 secs Computing kpt #: 136 total cpu time spent up to now is 77.9 secs Computing kpt #: 137 total cpu time spent up to now is 78.4 secs Computing kpt #: 138 total cpu time spent up to now is 78.8 secs Computing kpt #: 139 total cpu time spent up to now is 79.2 secs Computing kpt #: 140 total cpu time spent up to now is 79.6 secs Computing kpt #: 141 total cpu time spent up to now is 80.0 secs Computing kpt #: 142 total cpu time spent up to now is 80.4 secs Computing kpt #: 143 total cpu time spent up to now is 80.8 secs Computing kpt #: 144 total cpu time spent up to now is 81.3 secs Computing kpt #: 145 total cpu time spent up to now is 81.7 secs Computing kpt #: 146 total cpu time spent up to now is 82.1 secs Computing kpt #: 147 total cpu time spent up to now is 82.6 secs Computing kpt #: 148 total cpu time spent up to now is 83.1 secs Computing kpt #: 149 total cpu time spent up to now is 83.6 secs Computing kpt #: 150 total cpu time spent up to now is 84.2 secs Computing kpt #: 151 total cpu time spent up to now is 84.8 secs Computing kpt #: 152 total cpu time spent up to now is 85.3 secs Computing kpt #: 153 total cpu time spent up to now is 85.8 secs Computing kpt #: 154 total cpu time spent up to now is 86.3 secs Computing kpt #: 155 total cpu time spent up to now is 86.8 secs Computing kpt #: 156 total cpu time spent up to now is 87.2 secs Computing kpt #: 157 total cpu time spent up to now is 87.6 secs Computing kpt #: 158 total cpu time spent up to now is 88.0 secs Computing kpt #: 159 total cpu time spent up to now is 88.4 secs Computing kpt #: 160 total cpu time spent up to now is 88.7 secs Computing kpt #: 161 total cpu time spent up to now is 89.1 secs Computing kpt #: 162 total cpu time spent up to now is 89.5 secs Computing kpt #: 163 total cpu time spent up to now is 89.8 secs Computing kpt #: 164 total cpu time spent up to now is 90.2 secs Computing kpt #: 165 total cpu time spent up to now is 90.6 secs Computing kpt #: 166 total cpu time spent up to now is 90.9 secs Computing kpt #: 167 total cpu time spent up to now is 91.3 secs Computing kpt #: 168 total cpu time spent up to now is 91.7 secs Computing kpt #: 169 total cpu time spent up to now is 92.0 secs Computing kpt #: 170 total cpu time spent up to now is 92.4 secs Computing kpt #: 171 total cpu time spent up to now is 92.7 secs Computing kpt #: 172 total cpu time spent up to now is 93.1 secs Computing kpt #: 173 total cpu time spent up to now is 93.4 secs Computing kpt #: 174 total cpu time spent up to now is 93.8 secs Computing kpt #: 175 total cpu time spent up to now is 94.1 secs Computing kpt #: 176 total cpu time spent up to now is 94.5 secs Computing kpt #: 177 total cpu time spent up to now is 94.8 secs Computing kpt #: 178 total cpu time spent up to now is 95.1 secs Computing kpt #: 179 total cpu time spent up to now is 95.5 secs Computing kpt #: 180 total cpu time spent up to now is 95.8 secs Computing kpt #: 181 total cpu time spent up to now is 96.2 secs Computing kpt #: 182 total cpu time spent up to now is 96.5 secs Computing kpt #: 183 total cpu time spent up to now is 97.0 secs Computing kpt #: 184 total cpu time spent up to now is 97.5 secs Computing kpt #: 185 total cpu time spent up to now is 97.9 secs Computing kpt #: 186 total cpu time spent up to now is 98.4 secs Computing kpt #: 187 total cpu time spent up to now is 98.8 secs Computing kpt #: 188 total cpu time spent up to now is 99.2 secs Computing kpt #: 189 total cpu time spent up to now is 99.6 secs Computing kpt #: 190 total cpu time spent up to now is 100.0 secs Computing kpt #: 191 total cpu time spent up to now is 100.4 secs Computing kpt #: 192 total cpu time spent up to now is 100.8 secs Computing kpt #: 193 total cpu time spent up to now is 101.2 secs Computing kpt #: 194 total cpu time spent up to now is 101.6 secs Computing kpt #: 195 total cpu time spent up to now is 102.0 secs Computing kpt #: 196 total cpu time spent up to now is 102.4 secs Computing kpt #: 197 total cpu time spent up to now is 102.9 secs Computing kpt #: 198 total cpu time spent up to now is 103.3 secs Computing kpt #: 199 total cpu time spent up to now is 103.8 secs Computing kpt #: 200 total cpu time spent up to now is 104.3 secs Computing kpt #: 201 total cpu time spent up to now is 104.8 secs Computing kpt #: 202 total cpu time spent up to now is 105.3 secs Computing kpt #: 203 total cpu time spent up to now is 105.7 secs Computing kpt #: 204 total cpu time spent up to now is 106.2 secs Computing kpt #: 205 total cpu time spent up to now is 106.7 secs Computing kpt #: 206 total cpu time spent up to now is 107.2 secs Computing kpt #: 207 total cpu time spent up to now is 107.7 secs Computing kpt #: 208 total cpu time spent up to now is 108.2 secs Computing kpt #: 209 total cpu time spent up to now is 108.6 secs Computing kpt #: 210 total cpu time spent up to now is 109.1 secs Computing kpt #: 211 total cpu time spent up to now is 109.7 secs Computing kpt #: 212 total cpu time spent up to now is 110.2 secs Computing kpt #: 213 total cpu time spent up to now is 110.7 secs Computing kpt #: 214 total cpu time spent up to now is 111.2 secs Computing kpt #: 215 total cpu time spent up to now is 111.7 secs Computing kpt #: 216 total cpu time spent up to now is 112.2 secs Computing kpt #: 217 total cpu time spent up to now is 112.7 secs Computing kpt #: 218 total cpu time spent up to now is 113.3 secs Computing kpt #: 219 total cpu time spent up to now is 113.8 secs Computing kpt #: 220 total cpu time spent up to now is 114.3 secs Computing kpt #: 221 total cpu time spent up to now is 114.8 secs Computing kpt #: 222 total cpu time spent up to now is 115.3 secs Computing kpt #: 223 total cpu time spent up to now is 115.8 secs Computing kpt #: 224 total cpu time spent up to now is 116.3 secs Computing kpt #: 225 total cpu time spent up to now is 116.9 secs Computing kpt #: 226 total cpu time spent up to now is 117.4 secs Computing kpt #: 227 total cpu time spent up to now is 117.9 secs Computing kpt #: 228 total cpu time spent up to now is 118.4 secs Computing kpt #: 229 total cpu time spent up to now is 118.9 secs Computing kpt #: 230 total cpu time spent up to now is 119.5 secs Computing kpt #: 231 total cpu time spent up to now is 120.0 secs Computing kpt #: 232 total cpu time spent up to now is 120.5 secs Computing kpt #: 233 total cpu time spent up to now is 121.0 secs Computing kpt #: 234 total cpu time spent up to now is 121.5 secs Computing kpt #: 235 total cpu time spent up to now is 122.0 secs Computing kpt #: 236 total cpu time spent up to now is 122.4 secs Computing kpt #: 237 total cpu time spent up to now is 122.8 secs Computing kpt #: 238 total cpu time spent up to now is 123.2 secs Computing kpt #: 239 total cpu time spent up to now is 123.7 secs Computing kpt #: 240 total cpu time spent up to now is 124.2 secs Computing kpt #: 241 total cpu time spent up to now is 124.7 secs Computing kpt #: 242 total cpu time spent up to now is 125.2 secs Computing kpt #: 243 total cpu time spent up to now is 125.7 secs Computing kpt #: 244 total cpu time spent up to now is 126.1 secs Computing kpt #: 245 total cpu time spent up to now is 126.6 secs Computing kpt #: 246 total cpu time spent up to now is 127.0 secs Computing kpt #: 247 total cpu time spent up to now is 127.4 secs Computing kpt #: 248 total cpu time spent up to now is 127.8 secs Computing kpt #: 249 total cpu time spent up to now is 128.2 secs Computing kpt #: 250 total cpu time spent up to now is 128.6 secs Computing kpt #: 251 total cpu time spent up to now is 129.1 secs Computing kpt #: 252 total cpu time spent up to now is 129.5 secs Computing kpt #: 253 total cpu time spent up to now is 129.9 secs Computing kpt #: 254 total cpu time spent up to now is 130.2 secs Computing kpt #: 255 total cpu time spent up to now is 130.6 secs Computing kpt #: 256 total cpu time spent up to now is 130.9 secs Computing kpt #: 257 total cpu time spent up to now is 131.2 secs Computing kpt #: 258 total cpu time spent up to now is 131.6 secs Computing kpt #: 259 total cpu time spent up to now is 131.9 secs Computing kpt #: 260 total cpu time spent up to now is 132.3 secs Computing kpt #: 261 total cpu time spent up to now is 132.6 secs Computing kpt #: 262 total cpu time spent up to now is 133.0 secs Computing kpt #: 263 total cpu time spent up to now is 133.3 secs Computing kpt #: 264 total cpu time spent up to now is 133.7 secs Computing kpt #: 265 total cpu time spent up to now is 134.0 secs Computing kpt #: 266 total cpu time spent up to now is 134.4 secs Computing kpt #: 267 total cpu time spent up to now is 134.8 secs Computing kpt #: 268 total cpu time spent up to now is 135.1 secs Computing kpt #: 269 total cpu time spent up to now is 135.5 secs Computing kpt #: 270 total cpu time spent up to now is 135.9 secs Computing kpt #: 271 total cpu time spent up to now is 136.3 secs Computing kpt #: 272 total cpu time spent up to now is 136.7 secs Computing kpt #: 273 total cpu time spent up to now is 137.0 secs Computing kpt #: 274 total cpu time spent up to now is 137.4 secs Computing kpt #: 275 total cpu time spent up to now is 137.9 secs Computing kpt #: 276 total cpu time spent up to now is 138.4 secs Computing kpt #: 277 total cpu time spent up to now is 138.9 secs Computing kpt #: 278 total cpu time spent up to now is 139.4 secs Computing kpt #: 279 total cpu time spent up to now is 139.9 secs Computing kpt #: 280 total cpu time spent up to now is 140.5 secs Computing kpt #: 281 total cpu time spent up to now is 141.1 secs Computing kpt #: 282 total cpu time spent up to now is 141.6 secs Computing kpt #: 283 total cpu time spent up to now is 142.3 secs Computing kpt #: 284 total cpu time spent up to now is 143.4 secs Computing kpt #: 285 total cpu time spent up to now is 144.1 secs Computing kpt #: 286 total cpu time spent up to now is 144.7 secs Computing kpt #: 287 total cpu time spent up to now is 145.2 secs Computing kpt #: 288 total cpu time spent up to now is 145.8 secs Computing kpt #: 289 total cpu time spent up to now is 146.3 secs Computing kpt #: 290 total cpu time spent up to now is 146.8 secs Computing kpt #: 291 total cpu time spent up to now is 147.3 secs Computing kpt #: 292 total cpu time spent up to now is 147.8 secs Computing kpt #: 293 total cpu time spent up to now is 148.2 secs Computing kpt #: 294 total cpu time spent up to now is 148.7 secs Computing kpt #: 295 total cpu time spent up to now is 149.2 secs Computing kpt #: 296 total cpu time spent up to now is 149.7 secs ethr = 2.50E-08, avg # of iterations = 26.0 total cpu time spent up to now is 149.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6989 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1556 -36.1556 -36.1495 -36.1495 -35.8703 -35.8703 -35.8650 -35.8650 -35.8639 -35.8639 -35.8589 -35.8589 -21.1499 -21.1499 -7.8049 -7.8049 -5.9995 -5.9995 -5.6503 -5.6503 -4.0711 -4.0711 -2.9650 -2.9650 2.6513 2.6513 5.1075 5.1075 5.2440 5.2440 5.8422 5.8422 6.1307 6.1307 6.1552 6.1552 7.5053 7.5053 8.2749 8.2749 8.5416 8.5416 9.3267 9.3267 k = 0.0122 0.0070-0.0000 ( 7001 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1556 -36.1556 -36.1495 -36.1495 -35.8704 -35.8704 -35.8650 -35.8650 -35.8639 -35.8639 -35.8589 -35.8589 -21.1499 -21.1499 -7.8050 -7.8050 -5.9994 -5.9994 -5.6510 -5.6510 -4.0698 -4.0698 -2.9652 -2.9652 2.6528 2.6528 5.1048 5.1048 5.2412 5.2412 5.8375 5.8375 6.1253 6.1253 6.1478 6.1478 7.5147 7.5147 8.2791 8.2791 8.5464 8.5464 9.3280 9.3280 k = 0.0244 0.0141-0.0000 ( 6989 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1555 -36.1555 -36.1495 -36.1495 -35.8703 -35.8703 -35.8650 -35.8650 -35.8639 -35.8639 -35.8589 -35.8589 -21.1497 -21.1497 -7.8053 -7.8053 -5.9994 -5.9994 -5.6531 -5.6531 -4.0661 -4.0661 -2.9660 -2.9660 2.6574 2.6574 5.0964 5.0964 5.2332 5.2332 5.8227 5.8227 6.1023 6.1023 6.1343 6.1343 7.5418 7.5418 8.2917 8.2917 8.5606 8.5606 9.3315 9.3315 k = 0.0366 0.0211-0.0000 ( 6985 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1555 -36.1555 -36.1495 -36.1495 -35.8703 -35.8703 -35.8651 -35.8651 -35.8638 -35.8638 -35.8589 -35.8589 -21.1495 -21.1495 -7.8059 -7.8059 -5.9993 -5.9993 -5.6566 -5.6566 -4.0600 -4.0600 -2.9672 -2.9672 2.6650 2.6650 5.0812 5.0812 5.2216 5.2216 5.7957 5.7957 6.0610 6.0610 6.1212 6.1212 7.5828 7.5828 8.3117 8.3117 8.5840 8.5840 9.3364 9.3364 k = 0.0488 0.0282-0.0000 ( 6986 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1555 -36.1555 -36.1495 -36.1495 -35.8703 -35.8703 -35.8651 -35.8651 -35.8638 -35.8638 -35.8589 -35.8589 -21.1492 -21.1492 -7.8067 -7.8067 -5.9991 -5.9991 -5.6613 -5.6613 -4.0514 -4.0514 -2.9689 -2.9689 2.6755 2.6755 5.0577 5.0577 5.2084 5.2084 5.7535 5.7535 6.0121 6.0121 6.1058 6.1058 7.6333 7.6333 8.3377 8.3377 8.6165 8.6165 9.3419 9.3419 k = 0.0610 0.0352-0.0000 ( 6992 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1555 -36.1555 -36.1495 -36.1495 -35.8703 -35.8703 -35.8652 -35.8652 -35.8637 -35.8637 -35.8589 -35.8589 -21.1488 -21.1488 -7.8077 -7.8077 -5.9989 -5.9989 -5.6673 -5.6673 -4.0406 -4.0406 -2.9710 -2.9710 2.6890 2.6890 5.0250 5.0250 5.1954 5.1954 5.6933 5.6933 5.9640 5.9640 6.0870 6.0870 7.6891 7.6891 8.3666 8.3666 8.6584 8.6584 9.3479 9.3479 k = 0.0732 0.0422-0.0000 ( 6978 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1555 -36.1555 -36.1495 -36.1495 -35.8703 -35.8703 -35.8653 -35.8653 -35.8637 -35.8637 -35.8589 -35.8589 -21.1483 -21.1483 -7.8090 -7.8090 -5.9987 -5.9987 -5.6744 -5.6744 -4.0275 -4.0275 -2.9737 -2.9737 2.7052 2.7052 4.9831 4.9831 5.1833 5.1833 5.6159 5.6159 5.9205 5.9205 6.0647 6.0647 7.7469 7.7469 8.3942 8.3942 8.7108 8.7108 9.3557 9.3557 k = 0.0854 0.0493-0.0000 ( 6962 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1554 -36.1554 -36.1495 -36.1495 -35.8703 -35.8703 -35.8653 -35.8653 -35.8636 -35.8636 -35.8589 -35.8589 -21.1477 -21.1477 -7.8104 -7.8104 -5.9985 -5.9985 -5.6824 -5.6824 -4.0123 -4.0123 -2.9767 -2.9767 2.7241 2.7241 4.9328 4.9328 5.1721 5.1721 5.5250 5.5250 5.8811 5.8811 6.0393 6.0393 7.8046 7.8046 8.4157 8.4157 8.7753 8.7753 9.3671 9.3671 k = 0.0976 0.0563-0.0000 ( 6956 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1554 -36.1554 -36.1496 -36.1496 -35.8703 -35.8703 -35.8654 -35.8654 -35.8635 -35.8635 -35.8589 -35.8589 -21.1471 -21.1471 -7.8121 -7.8121 -5.9984 -5.9984 -5.6914 -5.6914 -3.9952 -3.9952 -2.9803 -2.9803 2.7455 2.7455 4.8750 4.8750 5.1614 5.1614 5.4257 5.4257 5.8441 5.8441 6.0110 6.0110 7.8609 7.8609 8.4270 8.4270 8.8523 8.8523 9.3845 9.3845 k = 0.1098 0.0634-0.0000 ( 6958 PWs) bands (ev): -69.2119 -69.2119 -69.2107 -69.2107 -36.1554 -36.1554 -36.1496 -36.1496 -35.8702 -35.8702 -35.8655 -35.8655 -35.8634 -35.8634 -35.8590 -35.8590 -21.1464 -21.1464 -7.8140 -7.8140 -5.9982 -5.9982 -5.7010 -5.7010 -3.9761 -3.9761 -2.9842 -2.9842 2.7693 2.7693 4.8107 4.8107 5.1504 5.1504 5.3223 5.3223 5.8079 5.8079 5.9800 5.9800 7.9152 7.9152 8.4263 8.4263 8.9413 8.9413 9.4098 9.4098 k = 0.1220 0.0704-0.0000 ( 6954 PWs) bands (ev): -69.2119 -69.2119 -69.2107 -69.2107 -36.1554 -36.1554 -36.1496 -36.1496 -35.8702 -35.8702 -35.8656 -35.8656 -35.8633 -35.8633 -35.8590 -35.8590 -21.1456 -21.1456 -7.8162 -7.8162 -5.9982 -5.9982 -5.7111 -5.7111 -3.9553 -3.9553 -2.9885 -2.9885 2.7952 2.7952 4.7406 4.7406 5.1370 5.1370 5.2201 5.2201 5.7716 5.7716 5.9468 5.9468 7.9669 7.9669 8.4141 8.4141 9.0401 9.0401 9.4436 9.4436 k = 0.1341 0.0774-0.0000 ( 6952 PWs) bands (ev): -69.2119 -69.2119 -69.2107 -69.2107 -36.1553 -36.1553 -36.1497 -36.1497 -35.8702 -35.8702 -35.8657 -35.8657 -35.8632 -35.8632 -35.8590 -35.8590 -21.1448 -21.1448 -7.8185 -7.8185 -5.9984 -5.9984 -5.7217 -5.7217 -3.9329 -3.9329 -2.9933 -2.9933 2.8230 2.8230 4.6648 4.6648 5.0960 5.0960 5.1466 5.1466 5.7346 5.7346 5.9117 5.9117 8.0148 8.0148 8.3933 8.3933 9.1459 9.1459 9.4854 9.4854 k = 0.1463 0.0845-0.0000 ( 6944 PWs) bands (ev): -69.2119 -69.2119 -69.2107 -69.2107 -36.1553 -36.1553 -36.1497 -36.1497 -35.8702 -35.8702 -35.8657 -35.8657 -35.8632 -35.8632 -35.8590 -35.8590 -21.1438 -21.1438 -7.8211 -7.8211 -5.9987 -5.9987 -5.7324 -5.7324 -3.9091 -3.9091 -2.9983 -2.9983 2.8524 2.8524 4.5836 4.5836 5.0040 5.0040 5.1272 5.1272 5.6969 5.6969 5.8751 5.8751 8.0563 8.0563 8.3692 8.3692 9.2553 9.2553 9.5325 9.5325 k = 0.1585 0.0915-0.0000 ( 6942 PWs) bands (ev): -69.2118 -69.2118 -69.2107 -69.2107 -36.1552 -36.1552 -36.1498 -36.1498 -35.8701 -35.8701 -35.8658 -35.8658 -35.8631 -35.8631 -35.8590 -35.8590 -21.1429 -21.1429 -7.8239 -7.8239 -5.9992 -5.9992 -5.7431 -5.7431 -3.8839 -3.8839 -3.0037 -3.0037 2.8832 2.8832 4.4972 4.4972 4.9097 4.9097 5.1149 5.1149 5.6583 5.6583 5.8372 5.8372 8.0852 8.0852 8.3503 8.3503 9.3643 9.3643 9.5798 9.5798 k = 0.1707 0.0986-0.0000 ( 6948 PWs) bands (ev): -69.2118 -69.2118 -69.2107 -69.2107 -36.1552 -36.1552 -36.1498 -36.1498 -35.8701 -35.8701 -35.8659 -35.8659 -35.8630 -35.8630 -35.8591 -35.8591 -21.1419 -21.1419 -7.8269 -7.8269 -6.0001 -6.0001 -5.7537 -5.7537 -3.8575 -3.8575 -3.0094 -3.0094 2.9149 2.9149 4.4059 4.4059 4.8208 4.8208 5.1033 5.1033 5.6189 5.6189 5.7984 5.7984 8.0919 8.0919 8.3486 8.3486 9.4687 9.4687 9.6245 9.6245 k = 0.1829 0.1056-0.0000 ( 6956 PWs) bands (ev): -69.2118 -69.2118 -69.2107 -69.2107 -36.1551 -36.1551 -36.1499 -36.1499 -35.8701 -35.8701 -35.8660 -35.8660 -35.8629 -35.8629 -35.8591 -35.8591 -21.1408 -21.1408 -7.8301 -7.8301 -6.0014 -6.0014 -5.7639 -5.7639 -3.8302 -3.8302 -3.0154 -3.0154 2.9470 2.9470 4.3104 4.3104 4.7386 4.7386 5.0917 5.0917 5.5790 5.5790 5.7590 5.7590 8.0722 8.0722 8.3704 8.3704 9.5652 9.5652 9.6686 9.6686 k = 0.1951 0.1127-0.0000 ( 6948 PWs) bands (ev): -69.2118 -69.2118 -69.2107 -69.2107 -36.1551 -36.1551 -36.1500 -36.1500 -35.8701 -35.8701 -35.8661 -35.8661 -35.8629 -35.8629 -35.8591 -35.8591 -21.1397 -21.1397 -7.8334 -7.8334 -6.0031 -6.0031 -5.7736 -5.7736 -3.8019 -3.8019 -3.0216 -3.0216 2.9792 2.9792 4.2117 4.2117 4.6635 4.6635 5.0800 5.0800 5.5385 5.5385 5.7193 5.7193 8.0328 8.0328 8.4103 8.4103 9.6522 9.6522 9.7153 9.7153 k = 0.2073 0.1197-0.0000 ( 6942 PWs) bands (ev): -69.2118 -69.2118 -69.2107 -69.2107 -36.1550 -36.1550 -36.1500 -36.1500 -35.8700 -35.8700 -35.8662 -35.8662 -35.8628 -35.8628 -35.8592 -35.8592 -21.1386 -21.1386 -7.8369 -7.8369 -6.0054 -6.0054 -5.7825 -5.7825 -3.7729 -3.7729 -3.0281 -3.0281 3.0108 3.0108 4.1112 4.1112 4.5955 4.5955 5.0681 5.0681 5.4977 5.4977 5.6796 5.6796 7.9827 7.9827 8.4609 8.4609 9.7281 9.7281 9.7687 9.7687 k = 0.2195 0.1267-0.0000 ( 6954 PWs) bands (ev): -69.2118 -69.2118 -69.2108 -69.2108 -36.1550 -36.1550 -36.1501 -36.1501 -35.8700 -35.8700 -35.8663 -35.8663 -35.8627 -35.8627 -35.8592 -35.8592 -21.1374 -21.1374 -7.8406 -7.8406 -6.0083 -6.0083 -5.7907 -5.7907 -3.7434 -3.7434 -3.0346 -3.0346 3.0410 3.0410 4.0102 4.0102 4.5346 4.5346 5.0561 5.0561 5.4566 5.4566 5.6400 5.6400 7.9271 7.9271 8.5176 8.5176 9.7913 9.7913 9.8327 9.8327 k = 0.2317 0.1338-0.0000 ( 6950 PWs) bands (ev): -69.2118 -69.2118 -69.2108 -69.2108 -36.1549 -36.1549 -36.1502 -36.1502 -35.8700 -35.8700 -35.8663 -35.8663 -35.8627 -35.8627 -35.8592 -35.8592 -21.1363 -21.1363 -7.8444 -7.8444 -6.0119 -6.0119 -5.7978 -5.7978 -3.7134 -3.7134 -3.0413 -3.0413 3.0689 3.0689 3.9102 3.9102 4.4805 4.4805 5.0440 5.0440 5.4156 5.4156 5.6008 5.6008 7.8692 7.8692 8.5781 8.5781 9.8484 9.8484 9.9018 9.9018 k = 0.2439 0.1408-0.0000 ( 6942 PWs) bands (ev): -69.2118 -69.2118 -69.2108 -69.2108 -36.1549 -36.1549 -36.1502 -36.1502 -35.8699 -35.8699 -35.8664 -35.8664 -35.8626 -35.8626 -35.8593 -35.8593 -21.1351 -21.1351 -7.8483 -7.8483 -6.0161 -6.0161 -5.8039 -5.8039 -3.6832 -3.6832 -3.0481 -3.0481 3.0935 3.0935 3.8126 3.8126 4.4334 4.4334 5.0318 5.0318 5.3746 5.3746 5.5622 5.5622 7.8105 7.8105 8.6411 8.6411 9.9055 9.9055 9.9694 9.9694 k = 0.2561 0.1479-0.0000 ( 6942 PWs) bands (ev): -69.2117 -69.2117 -69.2108 -69.2108 -36.1548 -36.1548 -36.1503 -36.1503 -35.8699 -35.8699 -35.8665 -35.8665 -35.8625 -35.8625 -35.8593 -35.8593 -21.1339 -21.1339 -7.8523 -7.8523 -6.0210 -6.0210 -5.8090 -5.8090 -3.6529 -3.6529 -3.0549 -3.0549 3.1132 3.1132 3.7190 3.7190 4.3933 4.3933 5.0197 5.0197 5.3339 5.3339 5.5245 5.5245 7.7522 7.7522 8.7057 8.7057 9.9640 9.9640 10.0324 10.0324 k = 0.2683 0.1549-0.0000 ( 6956 PWs) bands (ev): -69.2117 -69.2117 -69.2108 -69.2108 -36.1547 -36.1547 -36.1504 -36.1504 -35.8699 -35.8699 -35.8666 -35.8666 -35.8625 -35.8625 -35.8594 -35.8594 -21.1327 -21.1327 -7.8563 -7.8563 -6.0265 -6.0265 -5.8129 -5.8129 -3.6227 -3.6227 -3.0617 -3.0617 3.1259 3.1259 3.6315 3.6315 4.3604 4.3604 5.0077 5.0077 5.2937 5.2937 5.4877 5.4877 7.6949 7.6949 8.7713 8.7713 10.0222 10.0222 10.0861 10.0861 k = 0.2805 0.1619-0.0000 ( 6960 PWs) bands (ev): -69.2117 -69.2117 -69.2108 -69.2108 -36.1547 -36.1547 -36.1505 -36.1505 -35.8699 -35.8699 -35.8666 -35.8666 -35.8624 -35.8624 -35.8594 -35.8594 -21.1315 -21.1315 -7.8604 -7.8604 -6.0325 -6.0325 -5.8158 -5.8158 -3.5926 -3.5926 -3.0684 -3.0684 3.1291 3.1291 3.5528 3.5528 4.3348 4.3348 4.9959 4.9959 5.2539 5.2539 5.4520 5.4520 7.6393 7.6393 8.8373 8.8373 10.0713 10.0713 10.1288 10.1288 k = 0.2927 0.1690-0.0000 ( 6940 PWs) bands (ev): -69.2117 -69.2117 -69.2108 -69.2108 -36.1546 -36.1546 -36.1506 -36.1506 -35.8698 -35.8698 -35.8667 -35.8667 -35.8623 -35.8623 -35.8594 -35.8594 -21.1304 -21.1304 -7.8645 -7.8645 -6.0390 -6.0390 -5.8178 -5.8178 -3.5630 -3.5630 -3.0750 -3.0750 3.1192 3.1192 3.4862 3.4862 4.3168 4.3168 4.9843 4.9843 5.2149 5.2149 5.4175 5.4175 7.5856 7.5856 8.9030 8.9030 10.0983 10.0983 10.1781 10.1781 k = 0.3049 0.1760-0.0000 ( 6946 PWs) bands (ev): -69.2117 -69.2117 -69.2109 -69.2109 -36.1545 -36.1545 -36.1507 -36.1507 -35.8698 -35.8698 -35.8668 -35.8668 -35.8623 -35.8623 -35.8595 -35.8595 -21.1292 -21.1292 -7.8686 -7.8686 -6.0458 -6.0458 -5.8189 -5.8189 -3.5340 -3.5340 -3.0814 -3.0814 3.0936 3.0936 3.4347 3.4347 4.3063 4.3063 4.9729 4.9729 5.1766 5.1766 5.3844 5.3844 7.5343 7.5343 8.9678 8.9678 10.1125 10.1125 10.2097 10.2097 k = 0.3171 0.1831-0.0000 ( 6938 PWs) bands (ev): -69.2117 -69.2117 -69.2109 -69.2109 -36.1544 -36.1544 -36.1507 -36.1507 -35.8697 -35.8697 -35.8668 -35.8668 -35.8622 -35.8622 -35.8595 -35.8595 -21.1281 -21.1281 -7.8727 -7.8727 -6.0528 -6.0528 -5.8192 -5.8192 -3.5058 -3.5058 -3.0875 -3.0875 3.0525 3.0525 3.3981 3.3981 4.3029 4.3029 4.9619 4.9619 5.1394 5.1394 5.3528 5.3528 7.4855 7.4855 9.0309 9.0309 10.1208 10.1208 10.2186 10.2186 k = 0.3293 0.1901-0.0000 ( 6934 PWs) bands (ev): -69.2116 -69.2116 -69.2109 -69.2109 -36.1544 -36.1544 -36.1508 -36.1508 -35.8697 -35.8697 -35.8669 -35.8669 -35.8622 -35.8622 -35.8595 -35.8595 -21.1271 -21.1271 -7.8767 -7.8767 -6.0598 -6.0598 -5.8189 -5.8189 -3.4785 -3.4785 -3.0932 -3.0932 2.9998 2.9998 3.3732 3.3732 4.3064 4.3064 4.9512 4.9512 5.1032 5.1032 5.3227 5.3227 7.4394 7.4394 9.0917 9.0917 10.1189 10.1189 10.2181 10.2181 k = 0.3415 0.1971-0.0000 ( 6946 PWs) bands (ev): -69.2116 -69.2116 -69.2109 -69.2109 -36.1543 -36.1543 -36.1509 -36.1509 -35.8697 -35.8697 -35.8670 -35.8670 -35.8621 -35.8621 -35.8596 -35.8596 -21.1260 -21.1260 -7.8805 -7.8805 -6.0668 -6.0668 -5.8181 -5.8181 -3.4524 -3.4524 -3.0986 -3.0986 2.9409 2.9409 3.3551 3.3551 4.3159 4.3159 4.9408 4.9408 5.0684 5.0684 5.2943 5.2943 7.3962 7.3962 9.1496 9.1496 10.0970 10.0970 10.2230 10.2230 k = 0.3537 0.2042-0.0000 ( 6948 PWs) bands (ev): -69.2116 -69.2116 -69.2109 -69.2109 -36.1542 -36.1542 -36.1510 -36.1510 -35.8697 -35.8697 -35.8670 -35.8670 -35.8621 -35.8621 -35.8596 -35.8596 -21.1251 -21.1251 -7.8842 -7.8842 -6.0736 -6.0736 -5.8169 -5.8169 -3.4276 -3.4276 -3.1035 -3.1035 2.8799 2.8799 3.3407 3.3407 4.3308 4.3308 4.9307 4.9307 5.0351 5.0351 5.2675 5.2675 7.3559 7.3559 9.2038 9.2038 10.0555 10.0555 10.2390 10.2390 k = 0.3659 0.2112-0.0000 ( 6938 PWs) bands (ev): -69.2116 -69.2116 -69.2109 -69.2109 -36.1542 -36.1542 -36.1511 -36.1511 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8596 -35.8596 -21.1241 -21.1241 -7.8878 -7.8878 -6.0802 -6.0802 -5.8154 -5.8154 -3.4044 -3.4044 -3.1079 -3.1079 2.8196 2.8196 3.3278 3.3278 4.3500 4.3500 4.9204 4.9204 5.0038 5.0038 5.2426 5.2426 7.3187 7.3187 9.2538 9.2538 10.0028 10.0028 10.2629 10.2629 k = 0.3780 0.2183-0.0000 ( 6930 PWs) bands (ev): -69.2116 -69.2116 -69.2110 -69.2110 -36.1541 -36.1541 -36.1511 -36.1511 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8596 -35.8596 -21.1233 -21.1233 -7.8912 -7.8912 -6.0865 -6.0865 -5.8137 -5.8137 -3.3829 -3.3829 -3.1116 -3.1116 2.7618 2.7618 3.3158 3.3158 4.3726 4.3726 4.9096 4.9096 4.9750 4.9750 5.2195 5.2195 7.2845 7.2845 9.2990 9.2990 9.9458 9.9458 10.2915 10.2915 k = 0.3902 0.2253-0.0000 ( 6930 PWs) bands (ev): -69.2116 -69.2116 -69.2110 -69.2110 -36.1540 -36.1540 -36.1512 -36.1512 -35.8696 -35.8696 -35.8672 -35.8672 -35.8620 -35.8620 -35.8596 -35.8596 -21.1225 -21.1225 -7.8943 -7.8943 -6.0923 -6.0923 -5.8119 -5.8119 -3.3633 -3.3633 -3.1147 -3.1147 2.7075 2.7075 3.3042 3.3042 4.3977 4.3977 4.8968 4.8968 4.9501 4.9501 5.1983 5.1983 7.2535 7.2535 9.3392 9.3392 9.8888 9.8888 10.3230 10.3230 k = 0.4024 0.2323-0.0000 ( 6940 PWs) bands (ev): -69.2115 -69.2115 -69.2110 -69.2110 -36.1540 -36.1540 -36.1513 -36.1513 -35.8696 -35.8696 -35.8672 -35.8672 -35.8620 -35.8620 -35.8597 -35.8597 -21.1218 -21.1218 -7.8972 -7.8972 -6.0977 -6.0977 -5.8101 -5.8101 -3.3458 -3.3458 -3.1171 -3.1171 2.6577 2.6577 3.2932 3.2932 4.4245 4.4245 4.8803 4.8803 4.9310 4.9310 5.1790 5.1790 7.2257 7.2257 9.3738 9.3738 9.8348 9.8348 10.3558 10.3558 k = 0.4146 0.2394-0.0000 ( 6936 PWs) bands (ev): -69.2115 -69.2115 -69.2110 -69.2110 -36.1539 -36.1539 -36.1514 -36.1514 -35.8695 -35.8695 -35.8672 -35.8672 -35.8619 -35.8619 -35.8597 -35.8597 -21.1211 -21.1211 -7.8998 -7.8998 -6.1025 -6.1025 -5.8083 -5.8083 -3.3304 -3.3304 -3.1188 -3.1188 2.6127 2.6127 3.2828 3.2828 4.4522 4.4522 4.8598 4.8598 4.9179 4.9179 5.1619 5.1619 7.2012 7.2012 9.4027 9.4027 9.7858 9.7858 10.3886 10.3886 k = 0.4268 0.2464-0.0000 ( 6924 PWs) bands (ev): -69.2115 -69.2115 -69.2110 -69.2110 -36.1538 -36.1538 -36.1514 -36.1514 -35.8695 -35.8695 -35.8673 -35.8673 -35.8619 -35.8619 -35.8597 -35.8597 -21.1206 -21.1206 -7.9021 -7.9021 -6.1068 -6.1068 -5.8066 -5.8066 -3.3173 -3.3173 -3.1198 -3.1198 2.5731 2.5731 3.2734 3.2734 4.4800 4.4800 4.8371 4.8371 4.9091 4.9091 5.1468 5.1468 7.1798 7.1798 9.4254 9.4254 9.7436 9.7436 10.4201 10.4201 k = 0.4390 0.2535-0.0000 ( 6930 PWs) bands (ev): -69.2115 -69.2115 -69.2110 -69.2110 -36.1538 -36.1538 -36.1515 -36.1515 -35.8695 -35.8695 -35.8673 -35.8673 -35.8619 -35.8619 -35.8597 -35.8597 -21.1201 -21.1201 -7.9041 -7.9041 -6.1104 -6.1104 -5.8051 -5.8051 -3.3065 -3.3065 -3.1202 -3.1202 2.5391 2.5391 3.2650 3.2650 4.5073 4.5073 4.8140 4.8140 4.9030 4.9030 5.1339 5.1339 7.1617 7.1617 9.4418 9.4418 9.7092 9.7092 10.4491 10.4491 k = 0.4512 0.2605-0.0000 ( 6924 PWs) bands (ev): -69.2115 -69.2115 -69.2110 -69.2110 -36.1537 -36.1537 -36.1515 -36.1515 -35.8695 -35.8695 -35.8673 -35.8673 -35.8618 -35.8618 -35.8597 -35.8597 -21.1197 -21.1197 -7.9057 -7.9057 -6.1135 -6.1135 -5.8038 -5.8038 -3.2979 -3.2979 -3.1202 -3.1202 2.5110 2.5110 3.2579 3.2579 4.5334 4.5334 4.7916 4.7916 4.8985 4.8985 5.1232 5.1232 7.1469 7.1469 9.4519 9.4519 9.6834 9.6834 10.4744 10.4744 k = 0.4634 0.2676-0.0000 ( 6924 PWs) bands (ev): -69.2115 -69.2115 -69.2110 -69.2110 -36.1537 -36.1537 -36.1516 -36.1516 -35.8695 -35.8695 -35.8673 -35.8673 -35.8618 -35.8618 -35.8597 -35.8597 -21.1193 -21.1193 -7.9070 -7.9070 -6.1159 -6.1159 -5.8028 -5.8028 -3.2913 -3.2913 -3.1199 -3.1199 2.4890 2.4890 3.2523 3.2523 4.5573 4.5573 4.7707 4.7707 4.8953 4.8953 5.1148 5.1148 7.1354 7.1354 9.4566 9.4566 9.6658 9.6658 10.4952 10.4952 k = 0.4756 0.2746-0.0000 ( 6928 PWs) bands (ev): -69.2115 -69.2115 -69.2110 -69.2110 -36.1537 -36.1537 -36.1516 -36.1516 -35.8695 -35.8695 -35.8673 -35.8673 -35.8618 -35.8618 -35.8597 -35.8597 -21.1191 -21.1191 -7.9080 -7.9080 -6.1176 -6.1176 -5.8020 -5.8020 -3.2868 -3.2868 -3.1196 -3.1196 2.4731 2.4731 3.2481 3.2481 4.5777 4.5777 4.7527 4.7527 4.8931 4.8931 5.1088 5.1088 7.1272 7.1272 9.4577 9.4577 9.6553 9.6553 10.5107 10.5107 k = 0.4878 0.2816-0.0000 ( 6932 PWs) bands (ev): -69.2115 -69.2115 -69.2110 -69.2110 -36.1537 -36.1537 -36.1516 -36.1516 -35.8695 -35.8695 -35.8674 -35.8674 -35.8618 -35.8618 -35.8597 -35.8597 -21.1190 -21.1190 -7.9085 -7.9085 -6.1186 -6.1186 -5.8016 -5.8016 -3.2841 -3.2841 -3.1193 -3.1193 2.4636 2.4636 3.2456 3.2456 4.5921 4.5921 4.7396 4.7396 4.8918 4.8918 5.1051 5.1051 7.1222 7.1222 9.4572 9.4572 9.6500 9.6500 10.5202 10.5202 k = 0.5000 0.2887-0.0000 ( 6936 PWs) bands (ev): -69.2115 -69.2115 -69.2111 -69.2111 -36.1536 -36.1536 -36.1516 -36.1516 -35.8695 -35.8695 -35.8674 -35.8674 -35.8618 -35.8618 -35.8597 -35.8597 -21.1189 -21.1189 -7.9087 -7.9087 -6.1190 -6.1190 -5.8014 -5.8014 -3.2832 -3.2832 -3.1192 -3.1192 2.4604 2.4604 3.2448 3.2448 4.5975 4.5975 4.7347 4.7347 4.8914 4.8914 5.1039 5.1039 7.1206 7.1206 9.4569 9.4569 9.6484 9.6484 10.5234 10.5234 k = 0.5000 0.2887-0.0000 ( 6936 PWs) bands (ev): -69.2115 -69.2115 -69.2111 -69.2111 -36.1536 -36.1536 -36.1516 -36.1516 -35.8695 -35.8695 -35.8674 -35.8674 -35.8618 -35.8618 -35.8597 -35.8597 -21.1189 -21.1189 -7.9087 -7.9087 -6.1190 -6.1190 -5.8014 -5.8014 -3.2832 -3.2832 -3.1192 -3.1192 2.4604 2.4604 3.2448 3.2448 4.5975 4.5975 4.7347 4.7347 4.8914 4.8914 5.1039 5.1039 7.1206 7.1206 9.4569 9.4569 9.6484 9.6484 10.5234 10.5234 k = 0.4931 0.3007-0.0000 ( 6932 PWs) bands (ev): -69.2115 -69.2115 -69.2111 -69.2111 -36.1536 -36.1536 -36.1516 -36.1516 -35.8695 -35.8695 -35.8674 -35.8674 -35.8618 -35.8618 -35.8597 -35.8597 -21.1189 -21.1189 -7.9087 -7.9087 -6.1188 -6.1188 -5.8018 -5.8018 -3.2827 -3.2827 -3.1192 -3.1192 2.4616 2.4616 3.2434 3.2434 4.5967 4.5967 4.7345 4.7345 4.8856 4.8856 5.1041 5.1041 7.1299 7.1299 9.4579 9.4579 9.6502 9.6502 10.5264 10.5264 k = 0.4861 0.3127-0.0000 ( 6944 PWs) bands (ev): -69.2115 -69.2115 -69.2111 -69.2111 -36.1537 -36.1537 -36.1516 -36.1516 -35.8695 -35.8695 -35.8674 -35.8674 -35.8618 -35.8618 -35.8598 -35.8598 -21.1189 -21.1189 -7.9088 -7.9088 -6.1183 -6.1183 -5.8032 -5.8032 -3.2812 -3.2812 -3.1192 -3.1192 2.4651 2.4651 3.2393 3.2393 4.5935 4.5935 4.7339 4.7339 4.8694 4.8694 5.1046 5.1046 7.1573 7.1573 9.4611 9.4611 9.6555 9.6555 10.5351 10.5351 k = 0.4792 0.3248-0.0000 ( 6952 PWs) bands (ev): -69.2115 -69.2115 -69.2111 -69.2111 -36.1536 -36.1536 -36.1517 -36.1517 -35.8695 -35.8695 -35.8674 -35.8674 -35.8618 -35.8618 -35.8598 -35.8598 -21.1188 -21.1188 -7.9088 -7.9088 -6.1175 -6.1175 -5.8054 -5.8054 -3.2787 -3.2787 -3.1192 -3.1192 2.4710 2.4710 3.2325 3.2325 4.5860 4.5860 4.7328 4.7328 4.8460 4.8460 5.1053 5.1053 7.2016 7.2016 9.4663 9.4663 9.6640 9.6640 10.5489 10.5489 k = 0.4722 0.3368-0.0000 ( 6944 PWs) bands (ev): -69.2115 -69.2115 -69.2111 -69.2111 -36.1536 -36.1536 -36.1517 -36.1517 -35.8695 -35.8695 -35.8674 -35.8674 -35.8618 -35.8618 -35.8598 -35.8598 -21.1187 -21.1187 -7.9089 -7.9089 -6.1164 -6.1164 -5.8084 -5.8084 -3.2752 -3.2752 -3.1192 -3.1192 2.4793 2.4793 3.2232 3.2232 4.5705 4.5705 4.7313 4.7313 4.8211 4.8211 5.1061 5.1061 7.2609 7.2609 9.4736 9.4736 9.6751 9.6751 10.5666 10.5666 k = 0.4653 0.3488-0.0000 ( 6952 PWs) bands (ev): -69.2115 -69.2115 -69.2111 -69.2111 -36.1536 -36.1536 -36.1517 -36.1517 -35.8695 -35.8695 -35.8673 -35.8673 -35.8619 -35.8619 -35.8598 -35.8598 -21.1186 -21.1186 -7.9089 -7.9089 -6.1150 -6.1150 -5.8121 -5.8121 -3.2709 -3.2709 -3.1193 -3.1193 2.4898 2.4898 3.2116 3.2116 4.5420 4.5420 4.7300 4.7300 4.8009 4.8009 5.1067 5.1067 7.3333 7.3333 9.4829 9.4829 9.6881 9.6881 10.5859 10.5859 k = 0.4583 0.3608-0.0000 ( 6948 PWs) bands (ev): -69.2115 -69.2115 -69.2111 -69.2111 -36.1536 -36.1536 -36.1517 -36.1517 -35.8695 -35.8695 -35.8673 -35.8673 -35.8619 -35.8619 -35.8598 -35.8598 -21.1184 -21.1184 -7.9090 -7.9090 -6.1134 -6.1134 -5.8166 -5.8166 -3.2657 -3.2657 -3.1193 -3.1193 2.5026 2.5026 3.1979 3.1979 4.4978 4.4978 4.7303 4.7303 4.7890 4.7890 5.1069 5.1069 7.4166 7.4166 9.4941 9.4941 9.7021 9.7021 10.6022 10.6022 k = 0.4514 0.3729-0.0000 ( 6944 PWs) bands (ev): -69.2115 -69.2115 -69.2111 -69.2111 -36.1536 -36.1536 -36.1517 -36.1517 -35.8695 -35.8695 -35.8673 -35.8673 -35.8619 -35.8619 -35.8598 -35.8598 -21.1183 -21.1183 -7.9092 -7.9092 -6.1115 -6.1115 -5.8217 -5.8217 -3.2597 -3.2597 -3.1193 -3.1193 2.5177 2.5177 3.1822 3.1822 4.4391 4.4391 4.7331 4.7331 4.7850 4.7850 5.1067 5.1067 7.5088 7.5088 9.5071 9.5071 9.7163 9.7163 10.6069 10.6069 k = 0.4444 0.3849-0.0000 ( 6942 PWs) bands (ev): -69.2115 -69.2115 -69.2111 -69.2111 -36.1535 -36.1535 -36.1518 -36.1518 -35.8695 -35.8695 -35.8673 -35.8673 -35.8619 -35.8619 -35.8597 -35.8597 -21.1181 -21.1181 -7.9093 -7.9093 -6.1094 -6.1094 -5.8273 -5.8273 -3.2532 -3.2532 -3.1194 -3.1194 2.5349 2.5349 3.1650 3.1650 4.3697 4.3697 4.7384 4.7384 4.7870 4.7870 5.1058 5.1058 7.6082 7.6082 9.5218 9.5218 9.7297 9.7297 10.5880 10.5880 k = 0.4375 0.3969-0.0000 ( 6926 PWs) bands (ev): -69.2114 -69.2114 -69.2111 -69.2111 -36.1535 -36.1535 -36.1518 -36.1518 -35.8695 -35.8695 -35.8673 -35.8673 -35.8619 -35.8619 -35.8597 -35.8597 -21.1178 -21.1178 -7.9095 -7.9095 -6.1071 -6.1071 -5.8333 -5.8333 -3.2461 -3.2461 -3.1194 -3.1194 2.5542 2.5542 3.1465 3.1465 4.2933 4.2933 4.7449 4.7449 4.7938 4.7938 5.1042 5.1042 7.7133 7.7133 9.5381 9.5381 9.7416 9.7416 10.5388 10.5388 k = 0.4306 0.4090-0.0000 ( 6934 PWs) bands (ev): -69.2114 -69.2114 -69.2111 -69.2111 -36.1535 -36.1535 -36.1518 -36.1518 -35.8695 -35.8695 -35.8673 -35.8673 -35.8619 -35.8619 -35.8597 -35.8597 -21.1176 -21.1176 -7.9097 -7.9097 -6.1046 -6.1046 -5.8397 -5.8397 -3.2385 -3.2385 -3.1193 -3.1193 2.5755 2.5755 3.1270 3.1270 4.2125 4.2125 4.7520 4.7520 4.8044 4.8044 5.1016 5.1016 7.8227 7.8227 9.5557 9.5557 9.7514 9.7514 10.4659 10.4659 k = 0.4236 0.4210-0.0000 ( 6930 PWs) bands (ev): -69.2114 -69.2114 -69.2111 -69.2111 -36.1534 -36.1534 -36.1519 -36.1519 -35.8695 -35.8695 -35.8672 -35.8672 -35.8619 -35.8619 -35.8597 -35.8597 -21.1174 -21.1174 -7.9099 -7.9099 -6.1021 -6.1021 -5.8462 -5.8462 -3.2307 -3.2307 -3.1193 -3.1193 2.5988 2.5988 3.1070 3.1070 4.1295 4.1295 4.7595 4.7595 4.8180 4.8180 5.0981 5.0981 7.9356 7.9356 9.5743 9.5743 9.7590 9.7590 10.3808 10.3808 k = 0.4167 0.4330-0.0000 ( 6942 PWs) bands (ev): -69.2114 -69.2114 -69.2111 -69.2111 -36.1534 -36.1534 -36.1519 -36.1519 -35.8696 -35.8696 -35.8672 -35.8672 -35.8620 -35.8620 -35.8597 -35.8597 -21.1171 -21.1171 -7.9101 -7.9101 -6.0995 -6.0995 -5.8528 -5.8528 -3.2228 -3.2228 -3.1192 -3.1192 2.6238 2.6238 3.0866 3.0866 4.0456 4.0456 4.7675 4.7675 4.8337 4.8337 5.0935 5.0935 8.0509 8.0509 9.5937 9.5937 9.7643 9.7643 10.2912 10.2912 k = 0.4097 0.4450-0.0000 ( 6946 PWs) bands (ev): -69.2114 -69.2114 -69.2111 -69.2111 -36.1534 -36.1534 -36.1520 -36.1520 -35.8696 -35.8696 -35.8672 -35.8672 -35.8620 -35.8620 -35.8597 -35.8597 -21.1169 -21.1169 -7.9104 -7.9104 -6.0970 -6.0970 -5.8594 -5.8594 -3.2148 -3.2148 -3.1190 -3.1190 2.6505 2.6505 3.0663 3.0663 3.9623 3.9623 4.7762 4.7762 4.8505 4.8505 5.0878 5.0878 8.1679 8.1679 9.6132 9.6132 9.7677 9.7677 10.2020 10.2020 k = 0.4028 0.4571-0.0000 ( 6926 PWs) bands (ev): -69.2114 -69.2114 -69.2111 -69.2111 -36.1533 -36.1533 -36.1520 -36.1520 -35.8696 -35.8696 -35.8672 -35.8672 -35.8620 -35.8620 -35.8597 -35.8597 -21.1166 -21.1166 -7.9107 -7.9107 -6.0945 -6.0945 -5.8659 -5.8659 -3.2071 -3.2071 -3.1186 -3.1186 2.6787 2.6787 3.0464 3.0464 3.8803 3.8803 4.7857 4.7857 4.8678 4.8678 5.0810 5.0810 8.2862 8.2862 9.6317 9.6317 9.7697 9.7697 10.1162 10.1162 k = 0.3958 0.4691-0.0000 ( 6920 PWs) bands (ev): -69.2114 -69.2114 -69.2111 -69.2111 -36.1532 -36.1532 -36.1520 -36.1520 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8597 -35.8597 -21.1164 -21.1164 -7.9110 -7.9110 -6.0921 -6.0921 -5.8720 -5.8720 -3.1997 -3.1997 -3.1181 -3.1181 2.7080 2.7080 3.0272 3.0272 3.8007 3.8007 4.7962 4.7962 4.8848 4.8848 5.0731 5.0731 8.4051 8.4051 9.6479 9.6479 9.7709 9.7709 10.0363 10.0363 k = 0.3889 0.4811-0.0000 ( 6924 PWs) bands (ev): -69.2114 -69.2114 -69.2111 -69.2111 -36.1532 -36.1532 -36.1521 -36.1521 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8597 -35.8597 -21.1162 -21.1162 -7.9113 -7.9113 -6.0899 -6.0899 -5.8778 -5.8778 -3.1928 -3.1928 -3.1175 -3.1175 2.7383 2.7383 3.0091 3.0091 3.7241 3.7241 4.8076 4.8076 4.9012 4.9012 5.0641 5.0641 8.5244 8.5244 9.6586 9.6586 9.7717 9.7717 9.9657 9.9657 k = 0.3819 0.4932-0.0000 ( 6916 PWs) bands (ev): -69.2114 -69.2114 -69.2112 -69.2112 -36.1531 -36.1531 -36.1522 -36.1522 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8597 -35.8597 -21.1159 -21.1159 -7.9116 -7.9116 -6.0879 -6.0879 -5.8830 -5.8830 -3.1866 -3.1866 -3.1166 -3.1166 2.7689 2.7689 2.9925 2.9925 3.6515 3.6515 4.8200 4.8200 4.9162 4.9162 5.0542 5.0542 8.6435 8.6435 9.6593 9.6593 9.7720 9.7720 9.9086 9.9086 k = 0.3750 0.5052-0.0000 ( 6908 PWs) bands (ev): -69.2113 -69.2113 -69.2112 -69.2112 -36.1531 -36.1531 -36.1522 -36.1522 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8597 -35.8597 -21.1157 -21.1157 -7.9119 -7.9119 -6.0861 -6.0861 -5.8876 -5.8876 -3.1812 -3.1812 -3.1154 -3.1154 2.7993 2.7993 2.9777 2.9777 3.5838 3.5838 4.8334 4.8334 4.9296 4.9296 5.0435 5.0435 8.7622 8.7622 9.6444 9.6444 9.7707 9.7707 9.8670 9.8670 k = 0.3681 0.5172-0.0000 ( 6904 PWs) bands (ev): -69.2113 -69.2113 -69.2112 -69.2112 -36.1530 -36.1530 -36.1523 -36.1523 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8597 -35.8597 -21.1155 -21.1155 -7.9122 -7.9122 -6.0847 -6.0847 -5.8916 -5.8916 -3.1767 -3.1767 -3.1141 -3.1141 2.8285 2.8285 2.9652 2.9652 3.5219 3.5219 4.8475 4.8475 4.9407 4.9407 5.0322 5.0322 8.8800 8.8800 9.6131 9.6131 9.7621 9.7621 9.8321 9.8321 k = 0.3611 0.5292-0.0000 ( 6904 PWs) bands (ev): -69.2113 -69.2113 -69.2112 -69.2112 -36.1529 -36.1529 -36.1523 -36.1523 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8596 -35.8596 -21.1154 -21.1154 -7.9125 -7.9125 -6.0836 -6.0836 -5.8948 -5.8948 -3.1732 -3.1732 -3.1127 -3.1127 2.8549 2.8549 2.9558 2.9558 3.4672 3.4672 4.8623 4.8623 4.9494 4.9494 5.0206 5.0206 8.9963 8.9963 9.5719 9.5719 9.7259 9.7260 9.8109 9.8109 k = 0.3542 0.5413-0.0000 ( 6904 PWs) bands (ev): -69.2113 -69.2113 -69.2112 -69.2112 -36.1529 -36.1529 -36.1524 -36.1524 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8596 -35.8596 -21.1152 -21.1152 -7.9128 -7.9128 -6.0828 -6.0828 -5.8973 -5.8973 -3.1705 -3.1705 -3.1113 -3.1113 2.8761 2.8761 2.9504 2.9504 3.4215 3.4215 4.8771 4.8771 4.9554 4.9554 5.0090 5.0090 9.1105 9.1105 9.5280 9.5280 9.6643 9.6643 9.8117 9.8117 k = 0.3472 0.5533-0.0000 ( 6896 PWs) bands (ev): -69.2113 -69.2113 -69.2112 -69.2112 -36.1528 -36.1528 -36.1525 -36.1525 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8596 -35.8596 -21.1151 -21.1151 -7.9130 -7.9130 -6.0823 -6.0823 -5.8990 -5.8990 -3.1688 -3.1688 -3.1100 -3.1100 2.8899 2.8899 2.9499 2.9499 3.3866 3.3866 4.8910 4.8910 4.9591 4.9591 4.9982 4.9982 9.2213 9.2213 9.4858 9.4858 9.5964 9.5964 9.8212 9.8212 k = 0.3403 0.5653-0.0000 ( 6884 PWs) bands (ev): -69.2113 -69.2113 -69.2112 -69.2112 -36.1527 -36.1527 -36.1525 -36.1525 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8596 -35.8596 -21.1151 -21.1151 -7.9131 -7.9131 -6.0820 -6.0820 -5.9000 -5.9000 -3.1677 -3.1677 -3.1092 -3.1092 2.8960 2.8960 2.9524 2.9524 3.3649 3.3649 4.9018 4.9018 4.9619 4.9619 4.9887 4.9887 9.3250 9.3250 9.4495 9.4495 9.5289 9.5289 9.8342 9.8342 k = 0.3333 0.5774-0.0000 ( 6876 PWs) bands (ev): -69.2112 -69.2112 -69.2112 -69.2112 -36.1526 -36.1526 -36.1526 -36.1526 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8596 -35.8596 -21.1150 -21.1150 -7.9131 -7.9131 -6.0820 -6.0820 -5.9003 -5.9003 -3.1674 -3.1674 -3.1089 -3.1089 2.8974 2.8974 2.9538 2.9538 3.3576 3.3576 4.9059 4.9059 4.9641 4.9641 4.9837 4.9837 9.3842 9.3842 9.4438 9.4438 9.4754 9.4754 9.8431 9.8431 k = 0.3333 0.5774-0.0000 ( 6876 PWs) bands (ev): -69.2112 -69.2112 -69.2112 -69.2112 -36.1526 -36.1526 -36.1526 -36.1526 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8596 -35.8596 -21.1150 -21.1150 -7.9131 -7.9131 -6.0820 -6.0820 -5.9003 -5.9003 -3.1674 -3.1674 -3.1089 -3.1089 2.8974 2.8974 2.9538 2.9538 3.3576 3.3576 4.9059 4.9059 4.9641 4.9641 4.9837 4.9837 9.3842 9.3842 9.4438 9.4438 9.4754 9.4754 9.8431 9.8431 k = 0.3262 0.5651-0.0000 ( 6882 PWs) bands (ev): -69.2113 -69.2113 -69.2112 -69.2112 -36.1527 -36.1527 -36.1525 -36.1525 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8596 -35.8596 -21.1151 -21.1151 -7.9131 -7.9131 -6.0820 -6.0820 -5.9000 -5.9000 -3.1677 -3.1677 -3.1093 -3.1093 2.8963 2.8963 2.9524 2.9524 3.3648 3.3648 4.9019 4.9019 4.9592 4.9592 4.9912 4.9912 9.3598 9.3598 9.3946 9.3946 9.5484 9.5484 9.8287 9.8287 k = 0.3191 0.5528-0.0000 ( 6890 PWs) bands (ev): -69.2113 -69.2113 -69.2112 -69.2112 -36.1528 -36.1528 -36.1525 -36.1525 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8596 -35.8596 -21.1151 -21.1151 -7.9129 -7.9129 -6.0821 -6.0821 -5.8992 -5.8992 -3.1687 -3.1687 -3.1104 -3.1104 2.8925 2.8925 2.9503 2.9503 3.3847 3.3847 4.8919 4.8919 4.9481 4.9481 5.0085 5.0085 9.3142 9.3142 9.3465 9.3465 9.6380 9.6380 9.7977 9.7977 k = 0.3121 0.5405-0.0000 ( 6910 PWs) bands (ev): -69.2113 -69.2113 -69.2112 -69.2112 -36.1529 -36.1529 -36.1524 -36.1524 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8597 -35.8597 -21.1153 -21.1153 -7.9126 -7.9126 -6.0822 -6.0822 -5.8978 -5.8978 -3.1705 -3.1705 -3.1122 -3.1122 2.8853 2.8853 2.9512 2.9512 3.4145 3.4145 4.8784 4.8784 4.9340 4.9340 5.0298 5.0298 9.2554 9.2554 9.3131 9.3131 9.7111 9.7111 9.7712 9.7712 k = 0.3050 0.5282-0.0000 ( 6902 PWs) bands (ev): -69.2113 -69.2113 -69.2112 -69.2112 -36.1530 -36.1530 -36.1523 -36.1523 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8596 -35.8596 -21.1155 -21.1155 -7.9121 -7.9121 -6.0821 -6.0821 -5.8961 -5.8961 -3.1731 -3.1731 -3.1146 -3.1146 2.8754 2.8754 2.9572 2.9572 3.4513 3.4513 4.8624 4.8624 4.9181 4.9181 5.0536 5.0536 9.1953 9.1953 9.2821 9.2821 9.7068 9.7068 9.8141 9.8141 k = 0.2979 0.5159-0.0000 ( 6896 PWs) bands (ev): -69.2113 -69.2113 -69.2112 -69.2112 -36.1530 -36.1530 -36.1522 -36.1522 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8596 -35.8596 -21.1157 -21.1157 -7.9115 -7.9115 -6.0819 -6.0819 -5.8941 -5.8941 -3.1769 -3.1769 -3.1175 -3.1175 2.8649 2.8649 2.9681 2.9681 3.4930 3.4930 4.8442 4.8442 4.9012 4.9012 5.0791 5.0791 9.1366 9.1366 9.2491 9.2491 9.6756 9.6756 9.8798 9.8798 k = 0.2908 0.5036-0.0000 ( 6910 PWs) bands (ev): -69.2114 -69.2114 -69.2112 -69.2112 -36.1531 -36.1531 -36.1521 -36.1521 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8596 -35.8596 -21.1160 -21.1160 -7.9106 -7.9106 -6.0814 -6.0814 -5.8919 -5.8919 -3.1822 -3.1822 -3.1203 -3.1203 2.8558 2.8558 2.9834 2.9834 3.5380 3.5380 4.8234 4.8234 4.8848 4.8848 5.1060 5.1060 9.0798 9.0798 9.2119 9.2119 9.6490 9.6490 9.9398 9.9398 k = 0.2837 0.4914-0.0000 ( 6920 PWs) bands (ev): -69.2114 -69.2114 -69.2111 -69.2111 -36.1532 -36.1532 -36.1521 -36.1521 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8597 -35.8597 -21.1164 -21.1164 -7.9096 -7.9096 -6.0806 -6.0806 -5.8895 -5.8895 -3.1893 -3.1893 -3.1229 -3.1229 2.8495 2.8495 3.0027 3.0027 3.5851 3.5851 4.7998 4.7998 4.8698 4.8698 5.1341 5.1341 9.0251 9.0251 9.1695 9.1695 9.6308 9.6308 9.9924 9.9924 k = 0.2766 0.4791-0.0000 ( 6928 PWs) bands (ev): -69.2114 -69.2114 -69.2111 -69.2111 -36.1533 -36.1533 -36.1520 -36.1520 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8597 -35.8597 -21.1168 -21.1168 -7.9084 -7.9084 -6.0794 -6.0794 -5.8870 -5.8870 -3.1986 -3.1986 -3.1248 -3.1248 2.8467 2.8467 3.0257 3.0257 3.6332 3.6332 4.7735 4.7735 4.8569 4.8569 5.1633 5.1633 8.9725 8.9725 9.1219 9.1219 9.6210 9.6210 10.0380 10.0380 k = 0.2695 0.4668-0.0000 ( 6928 PWs) bands (ev): -69.2114 -69.2114 -69.2111 -69.2111 -36.1534 -36.1534 -36.1519 -36.1519 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8597 -35.8597 -21.1173 -21.1173 -7.9069 -7.9069 -6.0779 -6.0779 -5.8845 -5.8845 -3.2101 -3.2101 -3.1259 -3.1259 2.8478 2.8478 3.0522 3.0522 3.6815 3.6815 4.7453 4.7453 4.8465 4.8465 5.1934 5.1934 8.9222 8.9222 9.0702 9.0702 9.6184 9.6184 10.0772 10.0772 k = 0.2624 0.4545-0.0000 ( 6922 PWs) bands (ev): -69.2114 -69.2114 -69.2111 -69.2111 -36.1535 -36.1535 -36.1518 -36.1518 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8596 -35.8596 -21.1178 -21.1178 -7.9052 -7.9052 -6.0760 -6.0760 -5.8819 -5.8819 -3.2240 -3.2240 -3.1262 -3.1262 2.8532 2.8532 3.0822 3.0822 3.7292 3.7292 4.7163 4.7163 4.8385 4.8385 5.2244 5.2244 8.8741 8.8741 9.0158 9.0158 9.6209 9.6209 10.1108 10.1108 k = 0.2553 0.4422-0.0000 ( 6922 PWs) bands (ev): -69.2115 -69.2115 -69.2111 -69.2111 -36.1536 -36.1536 -36.1517 -36.1517 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8596 -35.8596 -21.1184 -21.1184 -7.9033 -7.9033 -6.0737 -6.0737 -5.8794 -5.8794 -3.2400 -3.2400 -3.1256 -3.1256 2.8629 2.8629 3.1155 3.1155 3.7752 3.7752 4.6878 4.6878 4.8330 4.8330 5.2563 5.2563 8.8284 8.8284 8.9601 8.9601 9.6262 9.6262 10.1399 10.1399 k = 0.2482 0.4299-0.0000 ( 6934 PWs) bands (ev): -69.2115 -69.2115 -69.2110 -69.2110 -36.1537 -36.1537 -36.1516 -36.1516 -35.8696 -35.8696 -35.8671 -35.8671 -35.8621 -35.8621 -35.8596 -35.8596 -21.1191 -21.1191 -7.9011 -7.9011 -6.0710 -6.0710 -5.8769 -5.8769 -3.2580 -3.2580 -3.1243 -3.1243 2.8767 2.8767 3.1521 3.1521 3.8187 3.8187 4.6611 4.6611 4.8300 4.8300 5.2888 5.2888 8.7849 8.7849 8.9042 8.9042 9.6321 9.6321 10.1653 10.1653 k = 0.2411 0.4177-0.0000 ( 6926 PWs) bands (ev): -69.2115 -69.2115 -69.2110 -69.2110 -36.1538 -36.1538 -36.1515 -36.1515 -35.8696 -35.8696 -35.8671 -35.8671 -35.8621 -35.8621 -35.8596 -35.8596 -21.1199 -21.1199 -7.8987 -7.8987 -6.0679 -6.0679 -5.8744 -5.8744 -3.2780 -3.2780 -3.1223 -3.1223 2.8945 2.8945 3.1918 3.1918 3.8585 3.8585 4.6376 4.6376 4.8296 4.8296 5.3220 5.3220 8.7437 8.7437 8.8491 8.8491 9.6366 9.6366 10.1877 10.1877 k = 0.2340 0.4054-0.0000 ( 6928 PWs) bands (ev): -69.2115 -69.2115 -69.2110 -69.2110 -36.1538 -36.1538 -36.1514 -36.1514 -35.8696 -35.8696 -35.8670 -35.8670 -35.8621 -35.8621 -35.8596 -35.8596 -21.1207 -21.1207 -7.8961 -7.8961 -6.0645 -6.0645 -5.8719 -5.8719 -3.2997 -3.2997 -3.1196 -3.1196 2.9159 2.9159 3.2347 3.2347 3.8935 3.8935 4.6191 4.6191 4.8318 4.8318 5.3558 5.3558 8.7049 8.7049 8.7956 8.7956 9.6379 9.6379 10.2073 10.2073 k = 0.2270 0.3931-0.0000 ( 6938 PWs) bands (ev): -69.2115 -69.2115 -69.2110 -69.2110 -36.1539 -36.1539 -36.1513 -36.1513 -35.8697 -35.8697 -35.8670 -35.8670 -35.8621 -35.8621 -35.8596 -35.8596 -21.1215 -21.1215 -7.8932 -7.8932 -6.0607 -6.0607 -5.8694 -5.8694 -3.3230 -3.3230 -3.1164 -3.1164 2.9404 2.9404 3.2805 3.2805 3.9226 3.9226 4.6071 4.6071 4.8369 4.8369 5.3900 5.3900 8.6682 8.6682 8.7444 8.7444 9.6348 9.6348 10.2238 10.2238 k = 0.2199 0.3808-0.0000 ( 6934 PWs) bands (ev): -69.2116 -69.2116 -69.2110 -69.2110 -36.1540 -36.1540 -36.1512 -36.1512 -35.8697 -35.8697 -35.8670 -35.8670 -35.8621 -35.8621 -35.8596 -35.8596 -21.1224 -21.1224 -7.8901 -7.8901 -6.0566 -6.0566 -5.8668 -5.8668 -3.3478 -3.3478 -3.1126 -3.1126 2.9674 2.9674 3.3293 3.3293 3.9453 3.9453 4.6030 4.6030 4.8450 4.8450 5.4245 5.4245 8.6335 8.6335 8.6961 8.6961 9.6265 9.6265 10.2364 10.2364 k = 0.2128 0.3685-0.0000 ( 6932 PWs) bands (ev): -69.2116 -69.2116 -69.2109 -69.2109 -36.1541 -36.1541 -36.1511 -36.1511 -35.8697 -35.8697 -35.8670 -35.8670 -35.8621 -35.8621 -35.8595 -35.8595 -21.1234 -21.1234 -7.8869 -7.8869 -6.0522 -6.0522 -5.8641 -5.8641 -3.3739 -3.3739 -3.1084 -3.1084 2.9961 2.9961 3.3808 3.3808 3.9616 3.9616 4.6073 4.6073 4.8560 4.8560 5.4593 5.4593 8.6001 8.6001 8.6519 8.6519 9.6126 9.6126 10.2436 10.2436 k = 0.2057 0.3562-0.0000 ( 6940 PWs) bands (ev): -69.2116 -69.2116 -69.2109 -69.2109 -36.1542 -36.1542 -36.1510 -36.1510 -35.8697 -35.8697 -35.8669 -35.8669 -35.8622 -35.8622 -35.8595 -35.8595 -21.1244 -21.1244 -7.8835 -7.8835 -6.0476 -6.0476 -5.8612 -5.8612 -3.4012 -3.4012 -3.1037 -3.1037 3.0253 3.0253 3.4349 3.4349 3.9728 3.9728 4.6200 4.6200 4.8702 4.8702 5.4942 5.4942 8.5670 8.5670 8.6130 8.6130 9.5931 9.5931 10.2439 10.2439 k = 0.1986 0.3440-0.0000 ( 6932 PWs) bands (ev): -69.2116 -69.2116 -69.2109 -69.2109 -36.1543 -36.1543 -36.1509 -36.1509 -35.8697 -35.8697 -35.8669 -35.8669 -35.8622 -35.8622 -35.8595 -35.8595 -21.1255 -21.1255 -7.8799 -7.8799 -6.0429 -6.0429 -5.8581 -5.8581 -3.4295 -3.4295 -3.0986 -3.0986 3.0538 3.0538 3.4916 3.4916 3.9807 3.9807 4.6401 4.6401 4.8876 4.8876 5.5291 5.5291 8.5332 8.5332 8.5806 8.5806 9.5684 9.5684 10.2360 10.2360 k = 0.1915 0.3317-0.0000 ( 6940 PWs) bands (ev): -69.2116 -69.2116 -69.2109 -69.2109 -36.1543 -36.1543 -36.1508 -36.1508 -35.8697 -35.8697 -35.8668 -35.8668 -35.8622 -35.8622 -35.8595 -35.8595 -21.1265 -21.1265 -7.8762 -7.8762 -6.0381 -6.0381 -5.8547 -5.8547 -3.4587 -3.4587 -3.0931 -3.0931 3.0801 3.0801 3.5506 3.5506 3.9884 3.9884 4.6664 4.6664 4.9082 4.9082 5.5639 5.5639 8.4991 8.4991 8.5547 8.5547 9.5389 9.5389 10.2191 10.2191 k = 0.1844 0.3194-0.0000 ( 6934 PWs) bands (ev): -69.2117 -69.2117 -69.2109 -69.2109 -36.1544 -36.1544 -36.1508 -36.1508 -35.8698 -35.8698 -35.8668 -35.8668 -35.8623 -35.8623 -35.8595 -35.8595 -21.1277 -21.1277 -7.8723 -7.8723 -6.0333 -6.0333 -5.8509 -5.8509 -3.4887 -3.4887 -3.0873 -3.0873 3.1025 3.1025 3.6119 3.6119 3.9988 3.9988 4.6972 4.6972 4.9322 4.9322 5.5983 5.5983 8.4655 8.4655 8.5341 8.5341 9.5054 9.5054 10.1933 10.1933 k = 0.1773 0.3071-0.0000 ( 6942 PWs) bands (ev): -69.2117 -69.2117 -69.2109 -69.2109 -36.1545 -36.1545 -36.1507 -36.1507 -35.8698 -35.8698 -35.8667 -35.8667 -35.8623 -35.8623 -35.8594 -35.8594 -21.1288 -21.1288 -7.8684 -7.8684 -6.0287 -6.0287 -5.8465 -5.8465 -3.5192 -3.5192 -3.0812 -3.0812 3.1193 3.1193 3.6753 3.6753 4.0149 4.0149 4.7311 4.7311 4.9596 4.9596 5.6323 5.6323 8.4335 8.4335 8.5180 8.5180 9.4684 9.4684 10.1597 10.1597 k = 0.1702 0.2948-0.0000 ( 6939 PWs) bands (ev): -69.2117 -69.2117 -69.2108 -69.2108 -36.1546 -36.1546 -36.1506 -36.1506 -35.8698 -35.8698 -35.8667 -35.8667 -35.8624 -35.8624 -35.8594 -35.8594 -21.1300 -21.1300 -7.8644 -7.8644 -6.0242 -6.0242 -5.8417 -5.8417 -3.5502 -3.5502 -3.0750 -3.0750 3.1293 3.1293 3.7406 3.7406 4.0392 4.0392 4.7667 4.7667 4.9902 4.9902 5.6657 5.6657 8.4034 8.4034 8.5059 8.5059 9.4286 9.4286 10.1197 10.1197 k = 0.1631 0.2825-0.0000 ( 6935 PWs) bands (ev): -69.2117 -69.2117 -69.2108 -69.2108 -36.1546 -36.1546 -36.1505 -36.1505 -35.8698 -35.8698 -35.8666 -35.8666 -35.8624 -35.8624 -35.8594 -35.8594 -21.1312 -21.1312 -7.8604 -7.8604 -6.0199 -6.0199 -5.8362 -5.8362 -3.5815 -3.5815 -3.0685 -3.0685 3.1316 3.1316 3.8077 3.8077 4.0732 4.0732 4.8031 4.8031 5.0242 5.0242 5.6983 5.6983 8.3751 8.3751 8.4975 8.4975 9.3869 9.3869 10.0754 10.0754 k = 0.1560 0.2702-0.0000 ( 6935 PWs) bands (ev): -69.2117 -69.2117 -69.2108 -69.2108 -36.1547 -36.1547 -36.1504 -36.1504 -35.8699 -35.8699 -35.8665 -35.8665 -35.8625 -35.8625 -35.8593 -35.8593 -21.1324 -21.1324 -7.8564 -7.8564 -6.0160 -6.0160 -5.8300 -5.8300 -3.6130 -3.6130 -3.0619 -3.0619 3.1262 3.1262 3.8765 3.8765 4.1177 4.1177 4.8394 4.8394 5.0615 5.0615 5.7300 5.7300 8.3484 8.3484 8.4926 8.4926 9.3438 9.3438 10.0283 10.0283 k = 0.1489 0.2580-0.0000 ( 6945 PWs) bands (ev): -69.2117 -69.2117 -69.2108 -69.2108 -36.1548 -36.1548 -36.1503 -36.1503 -35.8699 -35.8699 -35.8665 -35.8665 -35.8625 -35.8625 -35.8593 -35.8593 -21.1336 -21.1336 -7.8524 -7.8524 -6.0125 -6.0125 -5.8231 -5.8231 -3.6445 -3.6445 -3.0552 -3.0552 3.1136 3.1136 3.9469 3.9469 4.1726 4.1726 4.8750 4.8750 5.1018 5.1018 5.7607 5.7607 8.3229 8.3229 8.4911 8.4911 9.3001 9.3001 9.9801 9.9801 k = 0.1418 0.2457-0.0000 ( 6949 PWs) bands (ev): -69.2118 -69.2118 -69.2108 -69.2108 -36.1549 -36.1549 -36.1503 -36.1503 -35.8700 -35.8700 -35.8664 -35.8664 -35.8626 -35.8626 -35.8593 -35.8593 -21.1348 -21.1348 -7.8485 -7.8485 -6.0094 -6.0094 -5.8154 -5.8154 -3.6759 -3.6759 -3.0485 -3.0485 3.0950 3.0950 4.0186 4.0186 4.2370 4.2370 4.9093 4.9093 5.1453 5.1453 5.7903 5.7903 8.2981 8.2981 8.4926 8.4926 9.2566 9.2566 9.9321 9.9321 k = 0.1348 0.2334-0.0000 ( 6955 PWs) bands (ev): -69.2118 -69.2118 -69.2108 -69.2108 -36.1549 -36.1549 -36.1502 -36.1502 -35.8700 -35.8700 -35.8663 -35.8663 -35.8627 -35.8627 -35.8592 -35.8592 -21.1360 -21.1360 -7.8446 -7.8446 -6.0067 -6.0067 -5.8070 -5.8070 -3.7071 -3.7071 -3.0418 -3.0418 3.0714 3.0714 4.0915 4.0915 4.3102 4.3102 4.9421 4.9421 5.1916 5.1916 5.8186 5.8186 8.2734 8.2734 8.4970 8.4970 9.2138 9.2138 9.8852 9.8852 k = 0.1277 0.2211-0.0000 ( 6959 PWs) bands (ev): -69.2118 -69.2118 -69.2108 -69.2108 -36.1550 -36.1550 -36.1501 -36.1501 -35.8700 -35.8700 -35.8663 -35.8663 -35.8627 -35.8627 -35.8592 -35.8592 -21.1372 -21.1372 -7.8409 -7.8409 -6.0044 -6.0044 -5.7979 -5.7979 -3.7378 -3.7378 -3.0351 -3.0351 3.0442 3.0442 4.1653 4.1653 4.3910 4.3910 4.9730 4.9730 5.2406 5.2406 5.8456 5.8456 8.2480 8.2480 8.5038 8.5038 9.1724 9.1724 9.8401 9.8401 k = 0.1206 0.2088-0.0000 ( 6959 PWs) bands (ev): -69.2118 -69.2118 -69.2107 -69.2107 -36.1550 -36.1550 -36.1500 -36.1500 -35.8700 -35.8700 -35.8662 -35.8662 -35.8628 -35.8628 -35.8592 -35.8592 -21.1384 -21.1384 -7.8372 -7.8372 -6.0026 -6.0026 -5.7882 -5.7882 -3.7681 -3.7681 -3.0286 -3.0286 3.0143 3.0143 4.2397 4.2397 4.4783 4.4783 5.0019 5.0019 5.2920 5.2920 5.8711 5.8711 8.2214 8.2214 8.5124 8.5124 9.1327 9.1327 9.7970 9.7970 k = 0.1135 0.1965-0.0000 ( 6963 PWs) bands (ev): -69.2118 -69.2118 -69.2107 -69.2107 -36.1551 -36.1551 -36.1500 -36.1500 -35.8701 -35.8701 -35.8661 -35.8661 -35.8629 -35.8629 -35.8591 -35.8591 -21.1396 -21.1396 -7.8337 -7.8337 -6.0011 -6.0011 -5.7780 -5.7780 -3.7977 -3.7977 -3.0222 -3.0222 2.9829 2.9829 4.3145 4.3145 4.5712 4.5712 5.0287 5.0287 5.3455 5.3455 5.8953 5.8953 8.1929 8.1929 8.5220 8.5220 9.0947 9.0947 9.7559 9.7559 k = 0.1064 0.1843-0.0000 ( 6959 PWs) bands (ev): -69.2118 -69.2118 -69.2107 -69.2107 -36.1551 -36.1551 -36.1499 -36.1499 -35.8701 -35.8701 -35.8660 -35.8660 -35.8630 -35.8630 -35.8591 -35.8591 -21.1407 -21.1407 -7.8303 -7.8303 -6.0000 -6.0000 -5.7673 -5.7673 -3.8265 -3.8265 -3.0159 -3.0159 2.9506 2.9506 4.3894 4.3894 4.6687 4.6687 5.0536 5.0536 5.4008 5.4008 5.9181 5.9181 8.1621 8.1621 8.5315 8.5315 9.0585 9.0585 9.7153 9.7153 k = 0.0993 0.1720-0.0000 ( 6957 PWs) bands (ev): -69.2118 -69.2118 -69.2107 -69.2107 -36.1552 -36.1552 -36.1498 -36.1498 -35.8701 -35.8701 -35.8659 -35.8659 -35.8630 -35.8630 -35.8591 -35.8591 -21.1417 -21.1417 -7.8271 -7.8271 -5.9992 -5.9992 -5.7563 -5.7563 -3.8544 -3.8544 -3.0099 -3.0099 2.9182 2.9182 4.4639 4.4639 4.7697 4.7697 5.0768 5.0768 5.4574 5.4574 5.9394 5.9394 8.1286 8.1286 8.5398 8.5398 9.0234 9.0234 9.6703 9.6703 k = 0.0922 0.1597-0.0000 ( 6965 PWs) bands (ev): -69.2119 -69.2119 -69.2107 -69.2107 -36.1552 -36.1552 -36.1498 -36.1498 -35.8702 -35.8702 -35.8659 -35.8659 -35.8631 -35.8631 -35.8591 -35.8591 -21.1428 -21.1428 -7.8241 -7.8241 -5.9986 -5.9986 -5.7452 -5.7452 -3.8812 -3.8812 -3.0042 -3.0042 2.8862 2.8862 4.5378 4.5378 4.8727 4.8727 5.0990 5.0990 5.5147 5.5147 5.9595 5.9595 8.0921 8.0921 8.5451 8.5451 8.9887 8.9887 9.6093 9.6093 k = 0.0851 0.1474-0.0000 ( 6953 PWs) bands (ev): -69.2119 -69.2119 -69.2107 -69.2107 -36.1553 -36.1553 -36.1497 -36.1497 -35.8702 -35.8702 -35.8657 -35.8657 -35.8632 -35.8632 -35.8590 -35.8590 -21.1438 -21.1438 -7.8213 -7.8213 -5.9983 -5.9983 -5.7340 -5.7340 -3.9067 -3.9067 -2.9987 -2.9987 2.8551 2.8551 4.6104 4.6104 4.9747 4.9747 5.1226 5.1226 5.5723 5.5723 5.9785 5.9785 8.0524 8.0524 8.5457 8.5457 8.9535 8.9535 9.5412 9.5412 k = 0.0780 0.1351-0.0000 ( 6953 PWs) bands (ev): -69.2119 -69.2119 -69.2107 -69.2107 -36.1553 -36.1553 -36.1497 -36.1497 -35.8702 -35.8702 -35.8657 -35.8657 -35.8632 -35.8632 -35.8590 -35.8590 -21.1447 -21.1447 -7.8187 -7.8187 -5.9981 -5.9981 -5.7229 -5.7229 -3.9309 -3.9309 -2.9936 -2.9936 2.8253 2.8253 4.6814 4.6814 5.0648 5.0648 5.1578 5.1578 5.6297 5.6297 5.9964 5.9964 8.0096 8.0096 8.5400 8.5400 8.9166 8.9166 9.4804 9.4804 k = 0.0709 0.1228-0.0000 ( 6943 PWs) bands (ev): -69.2119 -69.2119 -69.2107 -69.2107 -36.1553 -36.1553 -36.1496 -36.1496 -35.8702 -35.8702 -35.8656 -35.8656 -35.8633 -35.8633 -35.8590 -35.8590 -21.1455 -21.1455 -7.8163 -7.8163 -5.9981 -5.9981 -5.7121 -5.7121 -3.9537 -3.9537 -2.9889 -2.9889 2.7972 2.7972 4.7499 4.7499 5.1158 5.1158 5.2307 5.2307 5.6861 5.6861 6.0135 6.0135 7.9635 7.9635 8.5265 8.5265 8.8772 8.8772 9.4315 9.4315 k = 0.0638 0.1106-0.0000 ( 6943 PWs) bands (ev): -69.2119 -69.2119 -69.2107 -69.2107 -36.1554 -36.1554 -36.1496 -36.1496 -35.8702 -35.8702 -35.8655 -35.8655 -35.8634 -35.8634 -35.8589 -35.8589 -21.1463 -21.1463 -7.8142 -7.8142 -5.9982 -5.9982 -5.7018 -5.7018 -3.9748 -3.9748 -2.9845 -2.9845 2.7709 2.7709 4.8153 4.8153 5.1392 5.1392 5.3287 5.3287 5.7412 5.7412 6.0301 6.0301 7.9141 7.9141 8.5051 8.5051 8.8350 8.8350 9.3956 9.3956 k = 0.0567 0.0983-0.0000 ( 6949 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1554 -36.1554 -36.1496 -36.1496 -35.8703 -35.8703 -35.8654 -35.8654 -35.8635 -35.8635 -35.8589 -35.8589 -21.1471 -21.1471 -7.8122 -7.8122 -5.9983 -5.9983 -5.6920 -5.6920 -3.9941 -3.9941 -2.9805 -2.9805 2.7468 2.7468 4.8767 4.8767 5.1551 5.1551 5.4303 5.4303 5.7947 5.7947 6.0463 6.0463 7.8616 7.8616 8.4766 8.4766 8.7901 8.7901 9.3717 9.3717 k = 0.0496 0.0860-0.0000 ( 6957 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1554 -36.1554 -36.1495 -36.1495 -35.8703 -35.8703 -35.8653 -35.8653 -35.8636 -35.8636 -35.8589 -35.8589 -21.1477 -21.1477 -7.8105 -7.8105 -5.9985 -5.9985 -5.6829 -5.6829 -4.0115 -4.0115 -2.9769 -2.9769 2.7251 2.7251 4.9328 4.9328 5.1686 5.1686 5.5280 5.5280 5.8470 5.8470 6.0624 6.0624 7.8063 7.8063 8.4431 8.4431 8.7438 8.7438 9.3574 9.3574 k = 0.0426 0.0737-0.0000 ( 6969 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1555 -36.1555 -36.1495 -36.1495 -35.8703 -35.8703 -35.8653 -35.8653 -35.8636 -35.8636 -35.8589 -35.8589 -21.1483 -21.1483 -7.8090 -7.8090 -5.9987 -5.9987 -5.6747 -5.6747 -4.0269 -4.0269 -2.9738 -2.9738 2.7060 2.7060 4.9824 4.9824 5.1814 5.1814 5.6173 5.6173 5.8990 5.8990 6.0783 6.0783 7.7490 7.7490 8.4073 8.4073 8.6978 8.6978 9.3495 9.3495 k = 0.0355 0.0614-0.0000 ( 6993 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1555 -36.1555 -36.1495 -36.1495 -35.8703 -35.8703 -35.8652 -35.8652 -35.8637 -35.8637 -35.8589 -35.8589 -21.1488 -21.1488 -7.8078 -7.8078 -5.9989 -5.9989 -5.6675 -5.6675 -4.0401 -4.0401 -2.9711 -2.9711 2.6895 2.6895 5.0242 5.0242 5.1943 5.1943 5.6934 5.6934 5.9521 5.9521 6.0939 6.0939 7.6910 7.6910 8.3720 8.3720 8.6545 8.6545 9.3447 9.3447 k = 0.0284 0.0491-0.0000 ( 6983 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1555 -36.1555 -36.1495 -36.1495 -35.8703 -35.8703 -35.8651 -35.8651 -35.8638 -35.8638 -35.8589 -35.8589 -21.1492 -21.1492 -7.8067 -7.8067 -5.9991 -5.9991 -5.6615 -5.6615 -4.0511 -4.0511 -2.9689 -2.9689 2.6759 2.6759 5.0571 5.0571 5.2078 5.2078 5.7529 5.7529 6.0064 6.0064 6.1087 6.1087 7.6349 7.6349 8.3397 8.3397 8.6160 8.6160 9.3406 9.3406 k = 0.0213 0.0369-0.0000 ( 6985 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1555 -36.1555 -36.1495 -36.1495 -35.8703 -35.8703 -35.8651 -35.8651 -35.8638 -35.8638 -35.8589 -35.8589 -21.1495 -21.1495 -7.8059 -7.8059 -5.9992 -5.9992 -5.6566 -5.6566 -4.0598 -4.0598 -2.9672 -2.9672 2.6652 2.6652 5.0808 5.0808 5.2213 5.2213 5.7951 5.7951 6.0587 6.0587 6.1220 6.1220 7.5838 7.5838 8.3125 8.3125 8.5844 8.5844 9.3361 9.3361 k = 0.0142 0.0246-0.0000 ( 6993 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1555 -36.1555 -36.1495 -36.1495 -35.8703 -35.8703 -35.8650 -35.8650 -35.8639 -35.8639 -35.8589 -35.8589 -21.1497 -21.1497 -7.8054 -7.8054 -5.9994 -5.9994 -5.6531 -5.6531 -4.0660 -4.0660 -2.9660 -2.9660 2.6575 2.6575 5.0962 5.0962 5.2330 5.2330 5.8224 5.8224 6.1016 6.1016 6.1343 6.1343 7.5423 7.5423 8.2919 8.2919 8.5609 8.5609 9.3315 9.3315 k = 0.0071 0.0123-0.0000 ( 7001 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1556 -36.1556 -36.1495 -36.1495 -35.8704 -35.8704 -35.8650 -35.8650 -35.8639 -35.8639 -35.8589 -35.8589 -21.1499 -21.1499 -7.8050 -7.8050 -5.9994 -5.9994 -5.6510 -5.6510 -4.0698 -4.0698 -2.9652 -2.9652 2.6528 2.6528 5.1047 5.1047 5.2411 5.2411 5.8374 5.8374 6.1252 6.1252 6.1477 6.1477 7.5149 7.5149 8.2792 8.2792 8.5465 8.5465 9.3280 9.3280 k = 0.0000 0.0000 0.0000 ( 6989 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1556 -36.1556 -36.1495 -36.1495 -35.8703 -35.8703 -35.8650 -35.8650 -35.8639 -35.8639 -35.8589 -35.8589 -21.1499 -21.1499 -7.8049 -7.8049 -5.9995 -5.9995 -5.6503 -5.6503 -4.0711 -4.0711 -2.9650 -2.9650 2.6513 2.6513 5.1075 5.1075 5.2440 5.2440 5.8422 5.8422 6.1307 6.1307 6.1552 6.1552 7.5053 7.5053 8.2749 8.2749 8.5416 8.5416 9.3267 9.3267 k = 0.0000 0.0000 0.0000 ( 6989 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1556 -36.1556 -36.1495 -36.1495 -35.8703 -35.8703 -35.8650 -35.8650 -35.8639 -35.8639 -35.8589 -35.8589 -21.1499 -21.1499 -7.8049 -7.8049 -5.9995 -5.9995 -5.6503 -5.6503 -4.0711 -4.0711 -2.9650 -2.9650 2.6513 2.6513 5.1075 5.1075 5.2440 5.2440 5.8422 5.8422 6.1307 6.1307 6.1552 6.1552 7.5053 7.5053 8.2749 8.2749 8.5416 8.5416 9.3267 9.3267 k = 0.0000 0.0000 0.0138 ( 7007 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1556 -36.1556 -36.1495 -36.1495 -35.8704 -35.8704 -35.8650 -35.8650 -35.8639 -35.8639 -35.8589 -35.8589 -21.1499 -21.1499 -7.8049 -7.8049 -5.9996 -5.9996 -5.6503 -5.6503 -4.0696 -4.0696 -2.9667 -2.9667 2.6541 2.6541 5.1083 5.1083 5.2449 5.2449 5.8364 5.8364 6.1215 6.1215 6.1533 6.1533 7.5193 7.5193 8.2707 8.2707 8.5475 8.5475 9.3250 9.3250 k = 0.0000 0.0000 0.0276 ( 7007 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1556 -36.1556 -36.1495 -36.1495 -35.8704 -35.8704 -35.8650 -35.8650 -35.8639 -35.8639 -35.8589 -35.8589 -21.1499 -21.1499 -7.8050 -7.8050 -6.0002 -6.0002 -5.6503 -5.6503 -4.0651 -4.0651 -2.9719 -2.9719 2.6624 2.6624 5.1109 5.1109 5.2476 5.2476 5.8180 5.8180 6.0962 6.0962 6.1477 6.1477 7.5599 7.5599 8.2590 8.2590 8.5643 8.5643 9.3200 9.3200 k = 0.0000 0.0000 0.0414 ( 6989 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1555 -36.1555 -36.1495 -36.1495 -35.8703 -35.8703 -35.8650 -35.8650 -35.8639 -35.8639 -35.8589 -35.8589 -21.1499 -21.1499 -7.8051 -7.8051 -6.0010 -6.0010 -5.6503 -5.6503 -4.0578 -4.0578 -2.9804 -2.9804 2.6762 2.6762 5.1153 5.1153 5.2521 5.2521 5.7851 5.7851 6.0607 6.0607 6.1385 6.1385 7.6229 7.6229 8.2422 8.2422 8.5899 8.5899 9.3120 9.3120 k = 0.0000 0.0000 0.0552 ( 6989 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1555 -36.1555 -36.1495 -36.1495 -35.8703 -35.8703 -35.8650 -35.8650 -35.8639 -35.8639 -35.8589 -35.8589 -21.1499 -21.1499 -7.8052 -7.8052 -6.0022 -6.0022 -5.6503 -5.6503 -4.0476 -4.0476 -2.9923 -2.9923 2.6954 2.6954 5.1213 5.1213 5.2584 5.2584 5.7358 5.7358 6.0220 6.0220 6.1258 6.1258 7.7031 7.7031 8.2226 8.2226 8.6221 8.6221 9.3012 9.3012 k = 0.0000 0.0000 0.0690 ( 6989 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1555 -36.1555 -36.1495 -36.1495 -35.8703 -35.8703 -35.8650 -35.8650 -35.8639 -35.8639 -35.8589 -35.8589 -21.1499 -21.1499 -7.8054 -7.8054 -6.0037 -6.0037 -5.6503 -5.6503 -4.0345 -4.0345 -3.0075 -3.0075 2.7198 2.7198 5.1291 5.1291 5.2664 5.2664 5.6697 5.6697 5.9849 5.9849 6.1098 6.1098 7.7957 7.7957 8.2018 8.2018 8.6596 8.6596 9.2881 9.2881 k = 0.0000 0.0000 0.0828 ( 6978 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1555 -36.1555 -36.1494 -36.1494 -35.8703 -35.8703 -35.8650 -35.8650 -35.8639 -35.8639 -35.8589 -35.8589 -21.1499 -21.1499 -7.8056 -7.8056 -6.0054 -6.0054 -5.6503 -5.6503 -4.0187 -4.0187 -3.0257 -3.0257 2.7493 2.7493 5.1385 5.1385 5.2762 5.2762 5.5895 5.5895 5.9508 5.9508 6.0908 6.0908 7.8957 7.8957 8.1814 8.1814 8.7018 8.7018 9.2731 9.2731 k = 0.0000 0.0000 0.0966 ( 6948 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1555 -36.1555 -36.1494 -36.1494 -35.8703 -35.8703 -35.8650 -35.8650 -35.8639 -35.8639 -35.8589 -35.8589 -21.1499 -21.1499 -7.8059 -7.8059 -6.0073 -6.0073 -5.6503 -5.6503 -4.0003 -4.0003 -3.0468 -3.0468 2.7838 2.7838 5.1496 5.1496 5.2877 5.2877 5.4989 5.4989 5.9190 5.9190 6.0690 6.0690 7.9978 7.9978 8.1636 8.1636 8.7485 8.7485 9.2567 9.2567 k = 0.0000 0.0000 0.1104 ( 6960 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1555 -36.1555 -36.1495 -36.1495 -35.8703 -35.8703 -35.8650 -35.8650 -35.8639 -35.8639 -35.8589 -35.8589 -21.1499 -21.1499 -7.8061 -7.8061 -6.0094 -6.0094 -5.6503 -5.6503 -3.9793 -3.9793 -3.0708 -3.0708 2.8228 2.8228 5.1621 5.1621 5.3009 5.3009 5.4015 5.4015 5.8884 5.8884 6.0447 6.0447 8.0857 8.0857 8.1619 8.1619 8.8001 8.8001 9.2394 9.2394 k = 0.0000 0.0000 0.1242 ( 6960 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1555 -36.1555 -36.1495 -36.1495 -35.8703 -35.8703 -35.8650 -35.8650 -35.8639 -35.8639 -35.8589 -35.8589 -21.1499 -21.1499 -7.8064 -7.8064 -6.0116 -6.0116 -5.6503 -5.6503 -3.9559 -3.9559 -3.0973 -3.0973 2.8661 2.8661 5.1756 5.1756 5.3006 5.3006 5.3158 5.3158 5.8581 5.8581 6.0183 6.0183 8.1030 8.1030 8.2298 8.2298 8.8574 8.8574 9.2216 9.2216 k = 0.0000 0.0000 0.1380 ( 6972 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1555 -36.1555 -36.1495 -36.1495 -35.8703 -35.8703 -35.8650 -35.8650 -35.8639 -35.8639 -35.8589 -35.8589 -21.1499 -21.1499 -7.8067 -7.8067 -6.0138 -6.0138 -5.6503 -5.6503 -3.9302 -3.9302 -3.1262 -3.1262 2.9133 2.9133 5.1785 5.1785 5.2098 5.2098 5.3323 5.3323 5.8276 5.8276 5.9901 5.9901 8.0903 8.0903 8.3236 8.3236 8.9214 8.9214 9.2039 9.2039 k = 0.0000 0.0000 0.1518 ( 6978 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1555 -36.1555 -36.1495 -36.1495 -35.8703 -35.8703 -35.8650 -35.8650 -35.8639 -35.8639 -35.8589 -35.8589 -21.1499 -21.1499 -7.8070 -7.8070 -6.0160 -6.0160 -5.6503 -5.6503 -3.9023 -3.9023 -3.1573 -3.1573 2.9641 2.9641 5.0885 5.0885 5.2131 5.2131 5.3503 5.3503 5.7967 5.7967 5.9604 5.9604 8.0751 8.0751 8.4130 8.4130 8.9930 8.9930 9.1866 9.1866 k = 0.0000 0.0000 0.1655 ( 6960 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1555 -36.1555 -36.1495 -36.1495 -35.8703 -35.8703 -35.8650 -35.8650 -35.8639 -35.8639 -35.8589 -35.8589 -21.1499 -21.1499 -7.8073 -7.8073 -6.0183 -6.0183 -5.6503 -5.6503 -3.8724 -3.8724 -3.1904 -3.1904 3.0178 3.0178 4.9861 4.9861 5.2311 5.2311 5.3698 5.3698 5.7653 5.7653 5.9294 5.9294 8.0604 8.0604 8.4930 8.4930 9.0708 9.0708 9.1700 9.1700 k = 0.0000 0.0000 0.1793 ( 6936 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1555 -36.1555 -36.1494 -36.1494 -35.8703 -35.8703 -35.8649 -35.8649 -35.8639 -35.8639 -35.8588 -35.8588 -21.1499 -21.1499 -7.8076 -7.8076 -6.0204 -6.0204 -5.6503 -5.6503 -3.8407 -3.8407 -3.2252 -3.2252 3.0738 3.0738 4.8852 4.8852 5.2512 5.2512 5.3907 5.3907 5.7336 5.7336 5.8977 5.8977 8.0469 8.0469 8.5620 8.5620 9.1385 9.1385 9.1545 9.1545 k = 0.0000 0.0000 0.1931 ( 6930 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1555 -36.1555 -36.1494 -36.1494 -35.8703 -35.8703 -35.8649 -35.8649 -35.8639 -35.8639 -35.8588 -35.8588 -21.1499 -21.1499 -7.8078 -7.8078 -6.0224 -6.0224 -5.6502 -5.6502 -3.8072 -3.8072 -3.2616 -3.2616 3.1313 3.1313 4.7875 4.7875 5.2728 5.2728 5.4129 5.4129 5.7016 5.7016 5.8654 5.8654 8.0348 8.0348 8.6198 8.6198 9.1402 9.1402 9.1457 9.1457 k = 0.0000 0.0000 0.2069 ( 6906 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1555 -36.1555 -36.1494 -36.1494 -35.8702 -35.8702 -35.8649 -35.8649 -35.8639 -35.8639 -35.8588 -35.8588 -21.1499 -21.1499 -7.8081 -7.8081 -6.0242 -6.0242 -5.6502 -5.6502 -3.7722 -3.7722 -3.2992 -3.2992 3.1891 3.1891 4.6945 4.6945 5.2955 5.2955 5.4362 5.4362 5.6695 5.6695 5.8329 5.8329 8.0242 8.0242 8.6674 8.6674 9.1275 9.1275 9.1362 9.1362 k = 0.0000 0.0000 0.2207 ( 6918 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1555 -36.1555 -36.1494 -36.1494 -35.8703 -35.8703 -35.8650 -35.8650 -35.8639 -35.8639 -35.8588 -35.8588 -21.1499 -21.1499 -7.8083 -7.8083 -6.0258 -6.0258 -5.6502 -5.6502 -3.7358 -3.7358 -3.3379 -3.3379 3.2457 3.2457 4.6078 4.6078 5.3193 5.3193 5.4604 5.4604 5.6378 5.6378 5.8007 5.8007 8.0152 8.0152 8.7057 8.7057 9.1164 9.1164 9.1263 9.1263 k = 0.0000 0.0000 0.2345 ( 6936 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1555 -36.1555 -36.1494 -36.1494 -35.8703 -35.8703 -35.8650 -35.8650 -35.8639 -35.8639 -35.8588 -35.8588 -21.1499 -21.1499 -7.8085 -7.8085 -6.0271 -6.0271 -5.6502 -5.6502 -3.6983 -3.6983 -3.3775 -3.3775 3.2992 3.2992 4.5296 4.5296 5.3438 5.3438 5.4850 5.4850 5.6066 5.6066 5.7693 5.7693 8.0077 8.0077 8.7358 8.7358 9.1071 9.1071 9.1175 9.1175 k = 0.0000 0.0000 0.2483 ( 6918 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1555 -36.1555 -36.1494 -36.1494 -35.8703 -35.8703 -35.8650 -35.8650 -35.8639 -35.8639 -35.8588 -35.8588 -21.1499 -21.1499 -7.8086 -7.8086 -6.0282 -6.0282 -5.6502 -5.6502 -3.6597 -3.6597 -3.4176 -3.4176 3.3467 3.3467 4.4628 4.4628 5.3685 5.3685 5.5093 5.5093 5.5767 5.5767 5.7396 5.7396 8.0019 8.0019 8.7586 8.7586 9.0999 9.0999 9.1105 9.1105 k = 0.0000 0.0000 0.2621 ( 6924 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1555 -36.1555 -36.1494 -36.1494 -35.8703 -35.8703 -35.8650 -35.8650 -35.8639 -35.8639 -35.8588 -35.8588 -21.1499 -21.1499 -7.8087 -7.8087 -6.0290 -6.0290 -5.6502 -5.6502 -3.6203 -3.6203 -3.4582 -3.4582 3.3849 3.3849 4.4109 4.4109 5.3921 5.3921 5.5320 5.5320 5.5492 5.5492 5.7130 5.7130 7.9978 7.9978 8.7745 8.7745 9.0946 9.0946 9.1054 9.1054 k = 0.0000 0.0000 0.2759 ( 6924 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1555 -36.1555 -36.1494 -36.1494 -35.8703 -35.8703 -35.8650 -35.8650 -35.8638 -35.8638 -35.8588 -35.8588 -21.1499 -21.1499 -7.8088 -7.8088 -6.0295 -6.0295 -5.6502 -5.6502 -3.5803 -3.5803 -3.4989 -3.4989 3.4099 3.4099 4.3775 4.3775 5.4117 5.4117 5.5274 5.5274 5.5497 5.5497 5.6929 5.6929 7.9953 7.9953 8.7839 8.7839 9.0914 9.0914 9.1023 9.1023 k = 0.0000 0.0000 0.2897 ( 6924 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1555 -36.1555 -36.1494 -36.1494 -35.8703 -35.8703 -35.8650 -35.8650 -35.8638 -35.8638 -35.8588 -35.8588 -21.1499 -21.1499 -7.8088 -7.8088 -6.0296 -6.0296 -5.6502 -5.6502 -3.5427 -3.5427 -3.5367 -3.5367 3.4187 3.4187 4.3659 4.3659 5.4202 5.4202 5.5181 5.5181 5.5569 5.5569 5.6850 5.6850 7.9945 7.9945 8.7870 8.7870 9.0903 9.0903 9.1013 9.1013 k = 0.0000 0.0000 0.2897 ( 6924 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1555 -36.1555 -36.1494 -36.1494 -35.8703 -35.8703 -35.8650 -35.8650 -35.8638 -35.8638 -35.8588 -35.8588 -21.1499 -21.1499 -7.8088 -7.8088 -6.0296 -6.0296 -5.6502 -5.6502 -3.5427 -3.5427 -3.5367 -3.5367 3.4187 3.4187 4.3659 4.3659 5.4202 5.4202 5.5181 5.5181 5.5569 5.5569 5.6850 5.6850 7.9945 7.9945 8.7870 8.7870 9.0903 9.0903 9.1013 9.1013 k = 0.0122 0.0070 0.2897 ( 6924 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1555 -36.1555 -36.1494 -36.1494 -35.8703 -35.8703 -35.8650 -35.8650 -35.8638 -35.8638 -35.8588 -35.8588 -21.1499 -21.1499 -7.8089 -7.8089 -6.0296 -6.0296 -5.6509 -5.6509 -3.5440 -3.5440 -3.5343 -3.5343 3.4175 3.4175 4.3661 4.3661 5.4176 5.4176 5.5054 5.5054 5.5644 5.5644 5.6822 5.6822 8.0026 8.0026 8.7835 8.7835 9.0941 9.0941 9.1057 9.1057 k = 0.0244 0.0141 0.2897 ( 6932 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1555 -36.1555 -36.1494 -36.1494 -35.8703 -35.8703 -35.8650 -35.8650 -35.8638 -35.8638 -35.8588 -35.8588 -21.1497 -21.1497 -7.8092 -7.8092 -6.0294 -6.0294 -5.6529 -5.6529 -3.5457 -3.5457 -3.5291 -3.5291 3.4138 3.4138 4.3664 4.3664 5.4096 5.4096 5.4787 5.4787 5.5753 5.5753 5.6747 5.6747 8.0266 8.0266 8.7740 8.7740 9.1045 9.1045 9.1186 9.1186 k = 0.0366 0.0211 0.2897 ( 6940 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1555 -36.1555 -36.1494 -36.1494 -35.8703 -35.8703 -35.8650 -35.8650 -35.8638 -35.8638 -35.8589 -35.8589 -21.1495 -21.1495 -7.8098 -7.8098 -6.0290 -6.0290 -5.6562 -5.6562 -3.5469 -3.5469 -3.5222 -3.5222 3.4078 3.4078 4.3667 4.3667 5.3956 5.3956 5.4455 5.4455 5.5814 5.5814 5.6651 5.6651 8.0646 8.0646 8.7614 8.7614 9.1204 9.1204 9.1378 9.1378 k = 0.0488 0.0282 0.2897 ( 6934 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1555 -36.1555 -36.1494 -36.1494 -35.8703 -35.8703 -35.8651 -35.8651 -35.8637 -35.8637 -35.8589 -35.8589 -21.1492 -21.1492 -7.8105 -7.8105 -6.0285 -6.0285 -5.6607 -5.6607 -3.5474 -3.5474 -3.5138 -3.5138 3.3993 3.3993 4.3665 4.3665 5.3724 5.3724 5.4109 5.4109 5.5789 5.5789 5.6579 5.6579 8.1140 8.1140 8.7490 8.7490 9.1403 9.1403 9.1613 9.1613 k = 0.0610 0.0352 0.2897 ( 6946 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1555 -36.1555 -36.1495 -36.1495 -35.8703 -35.8703 -35.8652 -35.8652 -35.8637 -35.8637 -35.8589 -35.8589 -21.1488 -21.1488 -7.8114 -7.8114 -6.0279 -6.0279 -5.6664 -5.6664 -3.5474 -3.5474 -3.5038 -3.5038 3.3887 3.3887 4.3651 4.3651 5.3353 5.3353 5.3810 5.3810 5.5657 5.5657 5.6559 5.6559 8.1709 8.1709 8.7403 8.7403 9.1602 9.1602 9.1890 9.1890 k = 0.0732 0.0422 0.2897 ( 6948 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1555 -36.1555 -36.1495 -36.1495 -35.8703 -35.8703 -35.8652 -35.8652 -35.8636 -35.8636 -35.8589 -35.8589 -21.1483 -21.1483 -7.8126 -7.8126 -6.0271 -6.0271 -5.6731 -5.6731 -3.5469 -3.5469 -3.4923 -3.4923 3.3759 3.3759 4.3614 4.3614 5.2878 5.2878 5.3546 5.3546 5.5442 5.5442 5.6582 5.6582 8.2299 8.2299 8.7396 8.7396 9.1753 9.1753 9.2229 9.2229 k = 0.0854 0.0493 0.2897 ( 6948 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1554 -36.1554 -36.1495 -36.1495 -35.8702 -35.8702 -35.8653 -35.8653 -35.8636 -35.8636 -35.8589 -35.8589 -21.1477 -21.1477 -7.8139 -7.8139 -6.0263 -6.0263 -5.6809 -5.6809 -3.5459 -3.5459 -3.4793 -3.4793 3.3612 3.3612 4.3543 4.3543 5.2366 5.2366 5.3279 5.3279 5.5172 5.5172 5.6623 5.6623 8.2838 8.2838 8.7521 8.7521 9.1829 9.1829 9.2634 9.2634 k = 0.0976 0.0563 0.2897 ( 6936 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1554 -36.1554 -36.1496 -36.1496 -35.8702 -35.8702 -35.8654 -35.8654 -35.8635 -35.8635 -35.8589 -35.8589 -21.1471 -21.1471 -7.8155 -7.8155 -6.0253 -6.0253 -5.6895 -5.6895 -3.5446 -3.5446 -3.4648 -3.4648 3.3446 3.3446 4.3422 4.3422 5.1858 5.1858 5.2995 5.2995 5.4866 5.4866 5.6670 5.6670 8.3248 8.3248 8.7835 8.7835 9.1825 9.1825 9.3099 9.3099 k = 0.1098 0.0634 0.2897 ( 6932 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1553 -36.1553 -36.1496 -36.1496 -35.8702 -35.8702 -35.8655 -35.8655 -35.8634 -35.8634 -35.8590 -35.8590 -21.1464 -21.1464 -7.8172 -7.8172 -6.0244 -6.0244 -5.6988 -5.6988 -3.5429 -3.5429 -3.4490 -3.4490 3.3264 3.3264 4.3234 4.3234 5.1388 5.1388 5.2694 5.2694 5.4535 5.4535 5.6715 5.6715 8.3477 8.3477 8.8364 8.8364 9.1752 9.1752 9.3616 9.3616 k = 0.1220 0.0704 0.2897 ( 6930 PWs) bands (ev): -69.2119 -69.2119 -69.2107 -69.2107 -36.1553 -36.1553 -36.1496 -36.1496 -35.8702 -35.8702 -35.8655 -35.8655 -35.8633 -35.8633 -35.8590 -35.8590 -21.1456 -21.1456 -7.8192 -7.8192 -6.0234 -6.0234 -5.7088 -5.7088 -3.5410 -3.5410 -3.4319 -3.4319 3.3067 3.3067 4.2963 4.2963 5.0985 5.0985 5.2376 5.2376 5.4182 5.4182 5.6757 5.6757 8.3524 8.3524 8.9075 8.9075 9.1633 9.1633 9.4178 9.4178 k = 0.1341 0.0774 0.2897 ( 6934 PWs) bands (ev): -69.2119 -69.2119 -69.2107 -69.2107 -36.1553 -36.1553 -36.1497 -36.1497 -35.8702 -35.8702 -35.8656 -35.8656 -35.8632 -35.8632 -35.8590 -35.8590 -21.1447 -21.1447 -7.8214 -7.8214 -6.0224 -6.0224 -5.7192 -5.7192 -3.5388 -3.5388 -3.4136 -3.4136 3.2857 3.2857 4.2597 4.2597 5.0669 5.0669 5.2045 5.2045 5.3812 5.3812 5.6793 5.6793 8.3422 8.3422 8.9876 8.9876 9.1524 9.1524 9.4780 9.4780 k = 0.1463 0.0845 0.2897 ( 6938 PWs) bands (ev): -69.2119 -69.2119 -69.2107 -69.2107 -36.1552 -36.1552 -36.1497 -36.1497 -35.8701 -35.8701 -35.8657 -35.8657 -35.8632 -35.8632 -35.8590 -35.8590 -21.1438 -21.1438 -7.8238 -7.8238 -6.0215 -6.0215 -5.7298 -5.7298 -3.5363 -3.5363 -3.3943 -3.3943 3.2637 3.2637 4.2133 4.2133 5.0450 5.0450 5.1703 5.1703 5.3428 5.3428 5.6825 5.6825 8.3209 8.3209 9.0530 9.0530 9.1620 9.1620 9.5406 9.5406 k = 0.1585 0.0915 0.2897 ( 6946 PWs) bands (ev): -69.2118 -69.2118 -69.2107 -69.2107 -36.1552 -36.1552 -36.1498 -36.1498 -35.8701 -35.8701 -35.8658 -35.8658 -35.8631 -35.8631 -35.8591 -35.8591 -21.1429 -21.1429 -7.8264 -7.8264 -6.0208 -6.0208 -5.7406 -5.7406 -3.5337 -3.5337 -3.3740 -3.3740 3.2408 3.2408 4.1577 4.1577 5.0326 5.0326 5.1354 5.1354 5.3033 5.3033 5.6850 5.6850 8.2911 8.2911 9.0673 9.0673 9.2246 9.2246 9.5938 9.5938 k = 0.1707 0.0986 0.2897 ( 6938 PWs) bands (ev): -69.2118 -69.2118 -69.2107 -69.2107 -36.1552 -36.1552 -36.1498 -36.1498 -35.8701 -35.8701 -35.8659 -35.8659 -35.8630 -35.8630 -35.8591 -35.8591 -21.1419 -21.1419 -7.8292 -7.8292 -6.0202 -6.0202 -5.7513 -5.7513 -3.5309 -3.5309 -3.3530 -3.3530 3.2172 3.2172 4.0942 4.0942 5.0286 5.0286 5.1000 5.1000 5.2630 5.2630 5.6871 5.6871 8.2546 8.2546 9.0566 9.0566 9.3092 9.3092 9.5932 9.5932 k = 0.1829 0.1056 0.2897 ( 6946 PWs) bands (ev): -69.2118 -69.2118 -69.2107 -69.2107 -36.1551 -36.1551 -36.1499 -36.1499 -35.8701 -35.8701 -35.8660 -35.8660 -35.8629 -35.8629 -35.8591 -35.8591 -21.1408 -21.1408 -7.8322 -7.8322 -6.0200 -6.0200 -5.7618 -5.7618 -3.5279 -3.5279 -3.3313 -3.3313 3.1932 3.1932 4.0245 4.0245 5.0298 5.0298 5.0658 5.0658 5.2228 5.2228 5.6887 5.6887 8.2129 8.2129 9.0417 9.0417 9.3848 9.3848 9.5849 9.5849 k = 0.1951 0.1127 0.2897 ( 6938 PWs) bands (ev): -69.2118 -69.2118 -69.2107 -69.2107 -36.1551 -36.1551 -36.1500 -36.1500 -35.8701 -35.8701 -35.8661 -35.8661 -35.8629 -35.8629 -35.8591 -35.8591 -21.1397 -21.1397 -7.8354 -7.8354 -6.0201 -6.0201 -5.7719 -5.7719 -3.5248 -3.5248 -3.3091 -3.3091 3.1689 3.1689 3.9504 3.9504 5.0190 5.0190 5.0477 5.0477 5.1837 5.1837 5.6898 5.6898 8.1674 8.1674 9.0266 9.0266 9.4277 9.4277 9.5989 9.5989 k = 0.2073 0.1197 0.2897 ( 6948 PWs) bands (ev): -69.2118 -69.2118 -69.2107 -69.2107 -36.1550 -36.1550 -36.1500 -36.1500 -35.8700 -35.8700 -35.8662 -35.8662 -35.8628 -35.8628 -35.8592 -35.8592 -21.1386 -21.1386 -7.8387 -7.8387 -6.0206 -6.0206 -5.7814 -5.7814 -3.5216 -3.5216 -3.2865 -3.2865 3.1446 3.1446 3.8733 3.8733 4.9858 4.9858 5.0513 5.0513 5.1496 5.1496 5.6905 5.6905 8.1191 8.1191 9.0114 9.0114 9.4291 9.4291 9.6395 9.6395 k = 0.2195 0.1267 0.2897 ( 6946 PWs) bands (ev): -69.2118 -69.2118 -69.2107 -69.2107 -36.1550 -36.1550 -36.1501 -36.1501 -35.8700 -35.8700 -35.8663 -35.8663 -35.8627 -35.8627 -35.8592 -35.8592 -21.1374 -21.1374 -7.8422 -7.8422 -6.0217 -6.0217 -5.7901 -5.7901 -3.5184 -3.5184 -3.2636 -3.2636 3.1203 3.1203 3.7946 3.7946 4.9495 4.9495 5.0458 5.0458 5.1312 5.1312 5.6908 5.6908 8.0692 8.0692 8.9953 8.9953 9.4100 9.4100 9.6813 9.6813 k = 0.2317 0.1338 0.2897 ( 6950 PWs) bands (ev): -69.2118 -69.2118 -69.2108 -69.2108 -36.1549 -36.1549 -36.1502 -36.1502 -35.8700 -35.8700 -35.8663 -35.8663 -35.8627 -35.8627 -35.8592 -35.8592 -21.1362 -21.1362 -7.8458 -7.8458 -6.0233 -6.0233 -5.7980 -5.7980 -3.5151 -3.5151 -3.2406 -3.2406 3.0962 3.0962 3.7154 3.7154 4.9127 4.9127 5.0199 5.0199 5.1366 5.1366 5.6908 5.6908 8.0185 8.0185 8.9766 8.9766 9.3860 9.3860 9.7069 9.7069 k = 0.2439 0.1408 0.2897 ( 6956 PWs) bands (ev): -69.2118 -69.2118 -69.2108 -69.2108 -36.1549 -36.1549 -36.1503 -36.1503 -35.8700 -35.8700 -35.8664 -35.8664 -35.8626 -35.8626 -35.8593 -35.8593 -21.1351 -21.1351 -7.8495 -7.8495 -6.0257 -6.0257 -5.8048 -5.8048 -3.5117 -3.5117 -3.2176 -3.2176 3.0726 3.0726 3.6366 3.6366 4.8757 4.8757 4.9832 4.9832 5.1552 5.1552 5.6905 5.6905 7.9679 7.9679 8.9534 8.9534 9.3639 9.3639 9.7131 9.7131 k = 0.2561 0.1479 0.2897 ( 6958 PWs) bands (ev): -69.2117 -69.2117 -69.2108 -69.2108 -36.1548 -36.1548 -36.1503 -36.1503 -35.8699 -35.8699 -35.8665 -35.8665 -35.8625 -35.8625 -35.8593 -35.8593 -21.1339 -21.1339 -7.8533 -7.8533 -6.0287 -6.0287 -5.8105 -5.8105 -3.5084 -3.5084 -3.1948 -3.1948 3.0495 3.0495 3.5589 3.5589 4.8386 4.8386 4.9435 4.9435 5.1789 5.1789 5.6899 5.6899 7.9180 7.9180 8.9241 8.9241 9.3473 9.3473 9.7043 9.7043 k = 0.2683 0.1549 0.2897 ( 6954 PWs) bands (ev): -69.2117 -69.2117 -69.2108 -69.2108 -36.1547 -36.1547 -36.1504 -36.1504 -35.8699 -35.8699 -35.8666 -35.8666 -35.8625 -35.8625 -35.8593 -35.8593 -21.1327 -21.1327 -7.8572 -7.8572 -6.0325 -6.0325 -5.8151 -5.8151 -3.5050 -3.5050 -3.1721 -3.1721 3.0270 3.0270 3.4830 3.4830 4.8012 4.8012 4.9034 4.9034 5.2049 5.2049 5.6893 5.6893 7.8693 7.8693 8.8882 8.8882 9.3377 9.3377 9.6867 9.6867 k = 0.2805 0.1619 0.2897 ( 6954 PWs) bands (ev): -69.2117 -69.2117 -69.2108 -69.2108 -36.1547 -36.1547 -36.1505 -36.1505 -35.8699 -35.8699 -35.8667 -35.8667 -35.8624 -35.8624 -35.8594 -35.8594 -21.1315 -21.1315 -7.8612 -7.8612 -6.0369 -6.0369 -5.8186 -5.8186 -3.5017 -3.5017 -3.1499 -3.1499 3.0051 3.0051 3.4094 3.4094 4.7636 4.7636 4.8641 4.8641 5.2319 5.2319 5.6885 5.6885 7.8222 7.8222 8.8462 8.8462 9.3349 9.3349 9.6654 9.6654 k = 0.2927 0.1690 0.2897 ( 6954 PWs) bands (ev): -69.2117 -69.2117 -69.2108 -69.2108 -36.1546 -36.1546 -36.1506 -36.1506 -35.8698 -35.8698 -35.8667 -35.8667 -35.8623 -35.8623 -35.8594 -35.8594 -21.1304 -21.1304 -7.8652 -7.8652 -6.0419 -6.0419 -5.8210 -5.8210 -3.4984 -3.4984 -3.1281 -3.1281 2.9838 2.9838 3.3387 3.3387 4.7255 4.7255 4.8264 4.8264 5.2591 5.2591 5.6878 5.6878 7.7770 7.7770 8.7994 8.7994 9.3374 9.3374 9.6446 9.6446 k = 0.3049 0.1760 0.2897 ( 6958 PWs) bands (ev): -69.2117 -69.2117 -69.2109 -69.2109 -36.1545 -36.1545 -36.1507 -36.1507 -35.8698 -35.8698 -35.8668 -35.8668 -35.8623 -35.8623 -35.8594 -35.8594 -21.1292 -21.1292 -7.8691 -7.8691 -6.0474 -6.0474 -5.8224 -5.8224 -3.4953 -3.4953 -3.1069 -3.1069 2.9631 2.9631 3.2713 3.2713 4.6870 4.6870 4.7908 4.7908 5.2860 5.2860 5.6872 5.6872 7.7337 7.7337 8.7495 8.7495 9.3426 9.3426 9.6276 9.6276 k = 0.3171 0.1831 0.2897 ( 6946 PWs) bands (ev): -69.2117 -69.2117 -69.2109 -69.2109 -36.1545 -36.1545 -36.1507 -36.1507 -35.8698 -35.8698 -35.8669 -35.8669 -35.8622 -35.8622 -35.8595 -35.8595 -21.1281 -21.1281 -7.8730 -7.8730 -6.0533 -6.0533 -5.8229 -5.8229 -3.4922 -3.4922 -3.0864 -3.0864 2.9427 2.9427 3.2079 3.2079 4.6481 4.6481 4.7575 4.7575 5.3122 5.3122 5.6868 5.6868 7.6926 7.6926 8.6980 8.6980 9.3471 9.3471 9.6180 9.6180 k = 0.3293 0.1901 0.2897 ( 6956 PWs) bands (ev): -69.2116 -69.2116 -69.2109 -69.2109 -36.1544 -36.1544 -36.1508 -36.1508 -35.8697 -35.8697 -35.8669 -35.8669 -35.8622 -35.8622 -35.8595 -35.8595 -21.1271 -21.1271 -7.8769 -7.8769 -6.0594 -6.0594 -5.8227 -5.8227 -3.4892 -3.4892 -3.0667 -3.0667 2.9224 2.9224 3.1492 3.1492 4.6092 4.6092 4.7266 4.7266 5.3374 5.3374 5.6868 5.6868 7.6536 7.6536 8.6464 8.6464 9.3478 9.3478 9.6186 9.6186 k = 0.3415 0.1971 0.2897 ( 6952 PWs) bands (ev): -69.2116 -69.2116 -69.2109 -69.2109 -36.1543 -36.1543 -36.1509 -36.1509 -35.8697 -35.8697 -35.8670 -35.8670 -35.8621 -35.8621 -35.8595 -35.8595 -21.1260 -21.1260 -7.8806 -7.8806 -6.0655 -6.0655 -5.8218 -5.8218 -3.4863 -3.4863 -3.0479 -3.0479 2.9015 2.9015 3.0958 3.0958 4.5706 4.5706 4.6981 4.6981 5.3612 5.3612 5.6871 5.6871 7.6167 7.6167 8.5956 8.5956 9.3430 9.3430 9.6310 9.6310 k = 0.3537 0.2042 0.2897 ( 6942 PWs) bands (ev): -69.2116 -69.2116 -69.2109 -69.2109 -36.1542 -36.1542 -36.1510 -36.1510 -35.8697 -35.8697 -35.8670 -35.8670 -35.8621 -35.8621 -35.8596 -35.8596 -21.1251 -21.1251 -7.8843 -7.8843 -6.0717 -6.0717 -5.8205 -5.8205 -3.4836 -3.4836 -3.0301 -3.0301 2.8792 2.8792 3.0488 3.0488 4.5327 4.5327 4.6720 4.6720 5.3834 5.3834 5.6880 5.6880 7.5820 7.5820 8.5467 8.5467 9.3327 9.3327 9.6545 9.6545 k = 0.3659 0.2112 0.2897 ( 6950 PWs) bands (ev): -69.2116 -69.2116 -69.2109 -69.2109 -36.1542 -36.1542 -36.1511 -36.1511 -35.8697 -35.8697 -35.8671 -35.8671 -35.8621 -35.8621 -35.8596 -35.8596 -21.1241 -21.1241 -7.8877 -7.8877 -6.0777 -6.0777 -5.8188 -5.8188 -3.4811 -3.4811 -3.0134 -3.0134 2.8549 2.8549 3.0092 3.0092 4.4960 4.4960 4.6482 4.6482 5.4038 5.4038 5.6894 5.6894 7.5494 7.5494 8.5002 8.5002 9.3186 9.3186 9.6871 9.6871 k = 0.3780 0.2183 0.2897 ( 6958 PWs) bands (ev): -69.2116 -69.2116 -69.2110 -69.2110 -36.1541 -36.1541 -36.1512 -36.1512 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8596 -35.8596 -21.1233 -21.1233 -7.8910 -7.8910 -6.0835 -6.0835 -5.8169 -5.8169 -3.4787 -3.4787 -2.9978 -2.9978 2.8282 2.8282 2.9774 2.9774 4.4608 4.4608 4.6266 4.6266 5.4222 5.4222 5.6915 5.6915 7.5190 7.5190 8.4568 8.4568 9.3024 9.3024 9.7262 9.7262 k = 0.3902 0.2253 0.2897 ( 6946 PWs) bands (ev): -69.2116 -69.2116 -69.2110 -69.2110 -36.1540 -36.1540 -36.1512 -36.1512 -35.8696 -35.8696 -35.8672 -35.8672 -35.8620 -35.8620 -35.8597 -35.8597 -21.1225 -21.1225 -7.8941 -7.8941 -6.0890 -6.0890 -5.8148 -5.8148 -3.4766 -3.4766 -2.9835 -2.9835 2.7997 2.7997 2.9529 2.9529 4.4277 4.4277 4.6071 4.6071 5.4386 5.4386 5.6942 5.6942 7.4908 7.4908 8.4169 8.4169 9.2856 9.2856 9.7698 9.7698 k = 0.4024 0.2323 0.2897 ( 6950 PWs) bands (ev): -69.2115 -69.2115 -69.2110 -69.2110 -36.1540 -36.1540 -36.1513 -36.1513 -35.8696 -35.8696 -35.8672 -35.8672 -35.8620 -35.8620 -35.8597 -35.8597 -21.1218 -21.1218 -7.8969 -7.8969 -6.0941 -6.0941 -5.8127 -5.8127 -3.4746 -3.4746 -2.9704 -2.9704 2.7707 2.7707 2.9344 2.9344 4.3969 4.3969 4.5897 4.5897 5.4528 5.4528 5.6975 5.6975 7.4649 7.4649 8.3808 8.3808 9.2692 9.2692 9.8158 9.8158 k = 0.4146 0.2394 0.2897 ( 6954 PWs) bands (ev): -69.2115 -69.2115 -69.2110 -69.2110 -36.1539 -36.1539 -36.1514 -36.1514 -35.8696 -35.8696 -35.8673 -35.8673 -35.8619 -35.8619 -35.8597 -35.8597 -21.1211 -21.1211 -7.8995 -7.8995 -6.0987 -6.0987 -5.8107 -5.8107 -3.4728 -3.4728 -2.9588 -2.9588 2.7427 2.7427 2.9204 2.9204 4.3688 4.3688 4.5743 4.5743 5.4648 5.4648 5.7012 5.7012 7.4414 7.4414 8.3487 8.3487 9.2538 9.2538 9.8624 9.8624 k = 0.4268 0.2464 0.2897 ( 6950 PWs) bands (ev): -69.2115 -69.2115 -69.2110 -69.2110 -36.1538 -36.1538 -36.1514 -36.1514 -35.8695 -35.8695 -35.8673 -35.8673 -35.8619 -35.8619 -35.8597 -35.8597 -21.1206 -21.1206 -7.9017 -7.9017 -6.1028 -6.1028 -5.8087 -5.8087 -3.4713 -3.4713 -2.9486 -2.9486 2.7170 2.7170 2.9099 2.9099 4.3438 4.3438 4.5610 4.5610 5.4748 5.4748 5.7052 5.7052 7.4204 7.4204 8.3207 8.3207 9.2398 9.2398 9.9079 9.9079 k = 0.4390 0.2535 0.2897 ( 6948 PWs) bands (ev): -69.2115 -69.2115 -69.2110 -69.2110 -36.1538 -36.1538 -36.1515 -36.1515 -35.8695 -35.8695 -35.8673 -35.8673 -35.8619 -35.8619 -35.8597 -35.8597 -21.1201 -21.1201 -7.9037 -7.9037 -6.1063 -6.1063 -5.8070 -5.8070 -3.4699 -3.4699 -2.9398 -2.9398 2.6943 2.6943 2.9020 2.9020 4.3220 4.3220 4.5498 4.5498 5.4829 5.4829 5.7093 5.7093 7.4023 7.4023 8.2970 8.2970 9.2277 9.2277 9.9507 9.9507 k = 0.4512 0.2605 0.2897 ( 6948 PWs) bands (ev): -69.2115 -69.2115 -69.2110 -69.2110 -36.1537 -36.1537 -36.1515 -36.1515 -35.8695 -35.8695 -35.8673 -35.8673 -35.8619 -35.8619 -35.8598 -35.8598 -21.1197 -21.1197 -7.9053 -7.9053 -6.1092 -6.1092 -5.8055 -5.8055 -3.4689 -3.4689 -2.9326 -2.9326 2.6752 2.6752 2.8960 2.8960 4.3039 4.3039 4.5406 4.5406 5.4892 5.4892 5.7131 5.7131 7.3871 7.3871 8.2776 8.2776 9.2175 9.2175 9.9889 9.9889 k = 0.4634 0.2676 0.2897 ( 6954 PWs) bands (ev): -69.2115 -69.2115 -69.2110 -69.2110 -36.1537 -36.1537 -36.1516 -36.1516 -35.8695 -35.8695 -35.8674 -35.8674 -35.8618 -35.8618 -35.8598 -35.8598 -21.1193 -21.1193 -7.9066 -7.9066 -6.1115 -6.1115 -5.8043 -5.8043 -3.4680 -3.4680 -2.9270 -2.9270 2.6601 2.6601 2.8917 2.8917 4.2895 4.2895 4.5335 4.5335 5.4939 5.4939 5.7163 5.7163 7.3750 7.3750 8.2625 8.2625 9.2095 9.2095 10.0208 10.0208 k = 0.4756 0.2746 0.2897 ( 6960 PWs) bands (ev): -69.2115 -69.2115 -69.2111 -69.2111 -36.1537 -36.1537 -36.1516 -36.1516 -35.8695 -35.8695 -35.8674 -35.8674 -35.8619 -35.8619 -35.8598 -35.8598 -21.1191 -21.1191 -7.9075 -7.9075 -6.1132 -6.1132 -5.8034 -5.8034 -3.4674 -3.4674 -2.9229 -2.9229 2.6492 2.6492 2.8888 2.8888 4.2791 4.2791 4.5284 4.5284 5.4971 5.4971 5.7189 5.7189 7.3663 7.3663 8.2517 8.2517 9.2037 9.2037 10.0449 10.0449 k = 0.4878 0.2816 0.2897 ( 6948 PWs) bands (ev): -69.2115 -69.2115 -69.2111 -69.2111 -36.1537 -36.1537 -36.1516 -36.1516 -35.8695 -35.8695 -35.8674 -35.8674 -35.8618 -35.8618 -35.8598 -35.8598 -21.1190 -21.1190 -7.9080 -7.9080 -6.1142 -6.1142 -5.8029 -5.8029 -3.4670 -3.4670 -2.9205 -2.9205 2.6425 2.6425 2.8871 2.8871 4.2729 4.2729 4.5253 4.5253 5.4990 5.4990 5.7205 5.7205 7.3610 7.3610 8.2453 8.2453 9.2002 9.2002 10.0599 10.0599 k = 0.5000 0.2887 0.2897 ( 6940 PWs) bands (ev): -69.2115 -69.2115 -69.2111 -69.2111 -36.1537 -36.1537 -36.1516 -36.1516 -35.8695 -35.8695 -35.8674 -35.8674 -35.8618 -35.8618 -35.8598 -35.8598 -21.1189 -21.1189 -7.9082 -7.9082 -6.1145 -6.1145 -5.8027 -5.8027 -3.4669 -3.4669 -2.9197 -2.9197 2.6403 2.6403 2.8866 2.8866 4.2708 4.2708 4.5243 4.5243 5.4996 5.4996 5.7210 5.7210 7.3592 7.3592 8.2431 8.2431 9.1990 9.1990 10.0651 10.0651 k = 0.5000 0.2887 0.2897 ( 6940 PWs) bands (ev): -69.2115 -69.2115 -69.2111 -69.2111 -36.1537 -36.1537 -36.1516 -36.1516 -35.8695 -35.8695 -35.8674 -35.8674 -35.8618 -35.8618 -35.8598 -35.8598 -21.1189 -21.1189 -7.9082 -7.9082 -6.1145 -6.1145 -5.8027 -5.8027 -3.4669 -3.4669 -2.9197 -2.9197 2.6403 2.6403 2.8866 2.8866 4.2708 4.2708 4.5243 4.5243 5.4996 5.4996 5.7210 5.7210 7.3592 7.3592 8.2431 8.2431 9.1990 9.1990 10.0651 10.0651 k = 0.4931 0.3007 0.2897 ( 6952 PWs) bands (ev): -69.2115 -69.2115 -69.2111 -69.2111 -36.1537 -36.1537 -36.1516 -36.1516 -35.8695 -35.8695 -35.8674 -35.8674 -35.8618 -35.8618 -35.8598 -35.8598 -21.1189 -21.1189 -7.9082 -7.9082 -6.1144 -6.1144 -5.8031 -5.8031 -3.4661 -3.4661 -2.9201 -2.9201 2.6418 2.6418 2.8872 2.8872 4.2714 4.2714 4.5211 4.5211 5.4954 5.4954 5.7155 5.7155 7.3639 7.3639 8.2489 8.2489 9.2067 9.2067 10.0357 10.0357 k = 0.4861 0.3127 0.2897 ( 6952 PWs) bands (ev): -69.2115 -69.2115 -69.2111 -69.2111 -36.1537 -36.1537 -36.1516 -36.1516 -35.8695 -35.8695 -35.8674 -35.8674 -35.8618 -35.8618 -35.8598 -35.8598 -21.1189 -21.1189 -7.9083 -7.9083 -6.1139 -6.1139 -5.8045 -5.8045 -3.4638 -3.4638 -2.9215 -2.9215 2.6461 2.6461 2.8891 2.8891 4.2734 4.2734 4.5117 4.5117 5.4826 5.4826 5.6994 5.6994 7.3779 7.3779 8.2660 8.2660 9.2297 9.2297 9.9865 9.9865 k = 0.4792 0.3248 0.2897 ( 6940 PWs) bands (ev): -69.2115 -69.2115 -69.2111 -69.2111 -36.1536 -36.1536 -36.1516 -36.1516 -35.8695 -35.8695 -35.8673 -35.8673 -35.8618 -35.8618 -35.8598 -35.8598 -21.1188 -21.1188 -7.9083 -7.9083 -6.1131 -6.1131 -5.8066 -5.8066 -3.4599 -3.4599 -2.9237 -2.9237 2.6532 2.6532 2.8922 2.8922 4.2766 4.2766 4.4964 4.4964 5.4608 5.4608 5.6743 5.6743 7.4004 7.4004 8.2941 8.2941 9.2674 9.2674 9.9358 9.9358 k = 0.4722 0.3368 0.2897 ( 6936 PWs) bands (ev): -69.2115 -69.2115 -69.2111 -69.2111 -36.1536 -36.1536 -36.1517 -36.1517 -35.8695 -35.8695 -35.8673 -35.8673 -35.8618 -35.8618 -35.8598 -35.8598 -21.1187 -21.1187 -7.9084 -7.9084 -6.1120 -6.1120 -5.8096 -5.8096 -3.4545 -3.4545 -2.9269 -2.9269 2.6631 2.6631 2.8966 2.8966 4.2806 4.2806 4.4760 4.4760 5.4293 5.4293 5.6424 5.6424 7.4306 7.4306 8.3325 8.3325 9.3192 9.3192 9.8862 9.8862 k = 0.4653 0.3488 0.2897 ( 6940 PWs) bands (ev): -69.2115 -69.2115 -69.2111 -69.2111 -36.1536 -36.1536 -36.1517 -36.1517 -35.8695 -35.8695 -35.8673 -35.8673 -35.8618 -35.8618 -35.8598 -35.8598 -21.1186 -21.1186 -7.9084 -7.9084 -6.1107 -6.1107 -5.8134 -5.8134 -3.4476 -3.4476 -2.9309 -2.9309 2.6757 2.6757 2.9022 2.9022 4.2851 4.2851 4.4516 4.4516 5.3878 5.3878 5.6062 5.6062 7.4675 7.4675 8.3803 8.3803 9.3840 9.3840 9.8385 9.8385 k = 0.4583 0.3608 0.2897 ( 6944 PWs) bands (ev): -69.2115 -69.2115 -69.2111 -69.2111 -36.1536 -36.1536 -36.1517 -36.1517 -35.8695 -35.8695 -35.8673 -35.8673 -35.8619 -35.8619 -35.8598 -35.8598 -21.1184 -21.1184 -7.9085 -7.9085 -6.1090 -6.1090 -5.8178 -5.8178 -3.4394 -3.4394 -2.9358 -2.9358 2.6909 2.6909 2.9089 2.9089 4.2887 4.2887 4.4251 4.4251 5.3366 5.3366 5.5674 5.5674 7.5100 7.5100 8.4363 8.4363 9.4604 9.4604 9.7932 9.7932 k = 0.4514 0.3729 0.2897 ( 6948 PWs) bands (ev): -69.2115 -69.2115 -69.2111 -69.2111 -36.1536 -36.1536 -36.1517 -36.1517 -35.8695 -35.8695 -35.8673 -35.8673 -35.8619 -35.8619 -35.8598 -35.8598 -21.1183 -21.1183 -7.9087 -7.9087 -6.1072 -6.1072 -5.8229 -5.8229 -3.4298 -3.4298 -2.9415 -2.9415 2.7085 2.7085 2.9167 2.9167 4.2887 4.2887 4.3998 4.3998 5.2768 5.2768 5.5271 5.5271 7.5575 7.5575 8.4989 8.4989 9.5470 9.5470 9.7511 9.7511 k = 0.4444 0.3849 0.2897 ( 6946 PWs) bands (ev): -69.2115 -69.2115 -69.2111 -69.2111 -36.1535 -36.1535 -36.1518 -36.1518 -35.8695 -35.8695 -35.8673 -35.8673 -35.8619 -35.8619 -35.8597 -35.8597 -21.1181 -21.1181 -7.9088 -7.9088 -6.1051 -6.1051 -5.8284 -5.8284 -3.4189 -3.4189 -2.9481 -2.9481 2.7284 2.7284 2.9255 2.9255 4.2798 4.2798 4.3818 4.3818 5.2100 5.2100 5.4858 5.4858 7.6092 7.6092 8.5661 8.5661 9.6409 9.6409 9.7145 9.7145 k = 0.4375 0.3969 0.2897 ( 6942 PWs) bands (ev): -69.2114 -69.2114 -69.2111 -69.2111 -36.1535 -36.1535 -36.1518 -36.1518 -35.8695 -35.8695 -35.8673 -35.8673 -35.8619 -35.8619 -35.8597 -35.8597 -21.1178 -21.1178 -7.9090 -7.9090 -6.1029 -6.1029 -5.8344 -5.8344 -3.4068 -3.4068 -2.9556 -2.9556 2.7505 2.7505 2.9353 2.9353 4.2577 4.2577 4.3758 4.3758 5.1384 5.1384 5.4434 5.4434 7.6647 7.6647 8.6354 8.6354 9.6767 9.6767 9.7486 9.7486 k = 0.4306 0.4090 0.2897 ( 6934 PWs) bands (ev): -69.2114 -69.2114 -69.2111 -69.2111 -36.1535 -36.1535 -36.1518 -36.1518 -35.8695 -35.8695 -35.8673 -35.8673 -35.8619 -35.8619 -35.8597 -35.8597 -21.1176 -21.1176 -7.9092 -7.9092 -6.1005 -6.1005 -5.8407 -5.8407 -3.3936 -3.3936 -2.9638 -2.9638 2.7744 2.7744 2.9460 2.9460 4.2253 4.2253 4.3797 4.3797 5.0640 5.0640 5.3999 5.3999 7.7235 7.7235 8.7037 8.7037 9.6535 9.6535 9.8543 9.8543 k = 0.4236 0.4210 0.2897 ( 6932 PWs) bands (ev): -69.2114 -69.2114 -69.2111 -69.2111 -36.1534 -36.1534 -36.1519 -36.1519 -35.8695 -35.8695 -35.8672 -35.8672 -35.8619 -35.8619 -35.8597 -35.8597 -21.1174 -21.1174 -7.9094 -7.9094 -6.0980 -6.0980 -5.8472 -5.8472 -3.3794 -3.3794 -2.9729 -2.9729 2.8000 2.8000 2.9574 2.9574 4.1876 4.1876 4.3887 4.3887 4.9888 4.9888 5.3554 5.3554 7.7852 7.7852 8.7668 8.7668 9.6396 9.6396 9.9639 9.9639 k = 0.4167 0.4330 0.2897 ( 6924 PWs) bands (ev): -69.2114 -69.2114 -69.2111 -69.2111 -36.1534 -36.1534 -36.1519 -36.1519 -35.8695 -35.8695 -35.8672 -35.8672 -35.8619 -35.8619 -35.8597 -35.8597 -21.1171 -21.1171 -7.9097 -7.9097 -6.0955 -6.0955 -5.8538 -5.8538 -3.3643 -3.3643 -2.9827 -2.9827 2.8269 2.8269 2.9695 2.9695 4.1476 4.1476 4.3997 4.3997 4.9148 4.9148 5.3099 5.3099 7.8496 7.8496 8.8201 8.8201 9.6396 9.6396 10.0734 10.0734 k = 0.4097 0.4450 0.2897 ( 6932 PWs) bands (ev): -69.2114 -69.2114 -69.2111 -69.2111 -36.1533 -36.1533 -36.1519 -36.1519 -35.8696 -35.8696 -35.8672 -35.8672 -35.8620 -35.8620 -35.8597 -35.8597 -21.1169 -21.1169 -7.9099 -7.9099 -6.0930 -6.0930 -5.8603 -5.8603 -3.3485 -3.3485 -2.9933 -2.9933 2.8548 2.8548 2.9820 2.9820 4.1070 4.1070 4.4105 4.4105 4.8442 4.8442 5.2637 5.2637 7.9162 7.9162 8.8594 8.8594 9.6566 9.6566 10.1790 10.1790 k = 0.4028 0.4571 0.2897 ( 6924 PWs) bands (ev): -69.2114 -69.2114 -69.2111 -69.2111 -36.1533 -36.1533 -36.1520 -36.1520 -35.8696 -35.8696 -35.8672 -35.8672 -35.8620 -35.8620 -35.8597 -35.8597 -21.1166 -21.1166 -7.9102 -7.9102 -6.0905 -6.0905 -5.8666 -5.8666 -3.3319 -3.3319 -3.0045 -3.0045 2.8833 2.8833 2.9948 2.9948 4.0670 4.0670 4.4189 4.4189 4.7801 4.7801 5.2172 5.2172 7.9848 7.9848 8.8821 8.8821 9.6919 9.6919 10.2764 10.2764 k = 0.3958 0.4691 0.2897 ( 6924 PWs) bands (ev): -69.2114 -69.2114 -69.2111 -69.2111 -36.1532 -36.1532 -36.1520 -36.1520 -35.8696 -35.8696 -35.8672 -35.8672 -35.8620 -35.8620 -35.8597 -35.8597 -21.1164 -21.1164 -7.9105 -7.9105 -6.0882 -6.0882 -5.8727 -5.8727 -3.3149 -3.3149 -3.0164 -3.0164 2.9119 2.9119 3.0077 3.0077 4.0284 4.0284 4.4216 4.4216 4.7265 4.7265 5.1705 5.1705 8.0548 8.0548 8.8882 8.8882 9.7436 9.7436 10.3600 10.3600 k = 0.3889 0.4811 0.2897 ( 6924 PWs) bands (ev): -69.2114 -69.2114 -69.2112 -69.2112 -36.1532 -36.1532 -36.1521 -36.1521 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8597 -35.8597 -21.1162 -21.1162 -7.9109 -7.9109 -6.0861 -6.0861 -5.8783 -5.8783 -3.2974 -3.2974 -3.0290 -3.0290 2.9401 2.9401 3.0204 3.0204 3.9919 3.9919 4.4143 4.4143 4.6883 4.6883 5.1242 5.1242 8.1256 8.1256 8.8801 8.8801 9.8072 9.8072 10.4248 10.4248 k = 0.3819 0.4932 0.2897 ( 6920 PWs) bands (ev): -69.2114 -69.2114 -69.2112 -69.2112 -36.1531 -36.1531 -36.1522 -36.1522 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8597 -35.8597 -21.1159 -21.1159 -7.9112 -7.9112 -6.0842 -6.0842 -5.8834 -5.8834 -3.2797 -3.2797 -3.0420 -3.0420 2.9672 2.9672 3.0327 3.0327 3.9580 3.9580 4.3944 4.3944 4.6690 4.6690 5.0785 5.0785 8.1966 8.1966 8.8612 8.8612 9.8771 9.8771 10.4676 10.4676 k = 0.3750 0.5052 0.2897 ( 6924 PWs) bands (ev): -69.2114 -69.2114 -69.2112 -69.2112 -36.1531 -36.1531 -36.1522 -36.1522 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8597 -35.8597 -21.1157 -21.1157 -7.9115 -7.9115 -6.0825 -6.0825 -5.8880 -5.8880 -3.2619 -3.2619 -3.0555 -3.0555 2.9926 2.9926 3.0443 3.0443 3.9272 3.9272 4.3645 4.3645 4.6671 4.6671 5.0338 5.0338 8.2669 8.2669 8.8346 8.8346 9.9473 9.9473 10.4893 10.4893 k = 0.3681 0.5172 0.2897 ( 6916 PWs) bands (ev): -69.2113 -69.2113 -69.2112 -69.2112 -36.1530 -36.1530 -36.1523 -36.1523 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8597 -35.8597 -21.1155 -21.1155 -7.9118 -7.9118 -6.0812 -6.0812 -5.8918 -5.8918 -3.2443 -3.2443 -3.0694 -3.0694 3.0156 3.0156 3.0548 3.0548 3.9002 3.9002 4.3303 4.3303 4.6775 4.6775 4.9905 4.9905 8.3355 8.3355 8.8029 8.8029 10.0126 10.0126 10.4942 10.4942 k = 0.3611 0.5292 0.2897 ( 6924 PWs) bands (ev): -69.2113 -69.2113 -69.2112 -69.2112 -36.1529 -36.1529 -36.1524 -36.1524 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8597 -35.8597 -21.1154 -21.1154 -7.9121 -7.9121 -6.0802 -6.0802 -5.8949 -5.8949 -3.2270 -3.2270 -3.0834 -3.0834 3.0355 3.0355 3.0639 3.0639 3.8774 3.8774 4.2972 4.2972 4.6957 4.6957 4.9488 4.9488 8.4014 8.4014 8.7678 8.7678 10.0684 10.0684 10.4886 10.4886 k = 0.3542 0.5413 0.2897 ( 6928 PWs) bands (ev): -69.2113 -69.2113 -69.2112 -69.2112 -36.1529 -36.1529 -36.1524 -36.1524 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8597 -35.8597 -21.1152 -21.1152 -7.9124 -7.9124 -6.0794 -6.0794 -5.8973 -5.8973 -3.2104 -3.2104 -3.0973 -3.0973 3.0516 3.0516 3.0713 3.0713 3.8592 3.8592 4.2687 4.2687 4.7188 4.7188 4.9092 4.9092 8.4632 8.4632 8.7308 8.7308 10.1118 10.1118 10.4782 10.4782 k = 0.3472 0.5533 0.2897 ( 6932 PWs) bands (ev): -69.2113 -69.2113 -69.2112 -69.2112 -36.1528 -36.1528 -36.1525 -36.1525 -35.8696 -35.8696 -35.8671 -35.8671 -35.8621 -35.8621 -35.8597 -35.8597 -21.1151 -21.1151 -7.9125 -7.9125 -6.0790 -6.0790 -5.8990 -5.8990 -3.1953 -3.1953 -3.1103 -3.1103 3.0634 3.0634 3.0765 3.0765 3.8459 3.8459 4.2471 4.2471 4.7450 4.7450 4.8719 4.8719 8.5195 8.5195 8.6929 8.6929 10.1415 10.1415 10.4675 10.4675 k = 0.3403 0.5653 0.2897 ( 6940 PWs) bands (ev): -69.2113 -69.2113 -69.2113 -69.2113 -36.1527 -36.1527 -36.1526 -36.1526 -35.8696 -35.8696 -35.8671 -35.8671 -35.8621 -35.8621 -35.8597 -35.8597 -21.1151 -21.1151 -7.9127 -7.9127 -6.0787 -6.0787 -5.8999 -5.8999 -3.1835 -3.1835 -3.1209 -3.1209 3.0708 3.0708 3.0795 3.0795 3.8379 3.8379 4.2338 4.2338 4.7730 4.7730 4.8376 4.8376 8.5683 8.5683 8.6555 8.6555 10.1580 10.1580 10.4597 10.4597 k = 0.3333 0.5774 0.2897 ( 6936 PWs) bands (ev): -69.2113 -69.2113 -69.2113 -69.2113 -36.1527 -36.1527 -36.1526 -36.1526 -35.8696 -35.8696 -35.8671 -35.8671 -35.8621 -35.8621 -35.8597 -35.8597 -21.1151 -21.1151 -7.9127 -7.9127 -6.0787 -6.0787 -5.9002 -5.9002 -3.1786 -3.1786 -3.1254 -3.1254 3.0734 3.0734 3.0803 3.0803 3.8353 3.8353 4.2293 4.2293 4.7957 4.7957 4.8128 4.8128 8.5982 8.5982 8.6295 8.6295 10.1630 10.1630 10.4568 10.4568 k = 0.3333 0.5774 0.2897 ( 6936 PWs) bands (ev): -69.2113 -69.2113 -69.2113 -69.2113 -36.1527 -36.1527 -36.1526 -36.1526 -35.8696 -35.8696 -35.8671 -35.8671 -35.8621 -35.8621 -35.8597 -35.8597 -21.1151 -21.1151 -7.9127 -7.9127 -6.0787 -6.0787 -5.9002 -5.9002 -3.1786 -3.1786 -3.1254 -3.1254 3.0734 3.0734 3.0803 3.0803 3.8353 3.8353 4.2293 4.2293 4.7957 4.7957 4.8128 4.8128 8.5982 8.5982 8.6295 8.6295 10.1630 10.1630 10.4568 10.4568 k = 0.3262 0.5651 0.2897 ( 6944 PWs) bands (ev): -69.2113 -69.2113 -69.2113 -69.2113 -36.1527 -36.1527 -36.1526 -36.1526 -35.8696 -35.8696 -35.8671 -35.8671 -35.8621 -35.8621 -35.8597 -35.8597 -21.1151 -21.1151 -7.9127 -7.9127 -6.0787 -6.0787 -5.9000 -5.9000 -3.1835 -3.1835 -3.1209 -3.1209 3.0708 3.0708 3.0795 3.0795 3.8380 3.8380 4.2339 4.2339 4.7734 4.7734 4.8372 4.8372 8.5717 8.5717 8.6519 8.6519 10.1587 10.1587 10.4599 10.4599 k = 0.3191 0.5528 0.2897 ( 6936 PWs) bands (ev): -69.2113 -69.2113 -69.2112 -69.2112 -36.1528 -36.1528 -36.1525 -36.1525 -35.8696 -35.8696 -35.8671 -35.8671 -35.8621 -35.8621 -35.8597 -35.8597 -21.1151 -21.1151 -7.9125 -7.9125 -6.0788 -6.0788 -5.8991 -5.8991 -3.1951 -3.1951 -3.1108 -3.1108 3.0640 3.0640 3.0770 3.0770 3.8461 3.8461 4.2474 4.2474 4.7475 4.7475 4.8691 4.8691 8.5349 8.5349 8.6761 8.6761 10.1474 10.1474 10.4688 10.4688 k = 0.3121 0.5405 0.2897 ( 6924 PWs) bands (ev): -69.2113 -69.2113 -69.2112 -69.2112 -36.1529 -36.1529 -36.1524 -36.1524 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8597 -35.8597 -21.1153 -21.1153 -7.9122 -7.9122 -6.0788 -6.0788 -5.8979 -5.8979 -3.2095 -3.2095 -3.0990 -3.0990 3.0543 3.0543 3.0727 3.0727 3.8593 3.8593 4.2690 4.2690 4.7248 4.7248 4.9017 4.9017 8.4983 8.4983 8.6922 8.6922 10.1314 10.1314 10.4819 10.4819 k = 0.3050 0.5282 0.2897 ( 6928 PWs) bands (ev): -69.2113 -69.2113 -69.2112 -69.2112 -36.1530 -36.1530 -36.1523 -36.1523 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8597 -35.8597 -21.1155 -21.1155 -7.9117 -7.9117 -6.0787 -6.0787 -5.8963 -5.8963 -3.2249 -3.2249 -3.0872 -3.0872 3.0429 3.0429 3.0668 3.0668 3.8771 3.8771 4.2978 4.2978 4.7055 4.7055 4.9344 4.9344 8.4628 8.4628 8.7000 8.7000 10.1127 10.1127 10.4965 10.4965 k = 0.2979 0.5159 0.2897 ( 6928 PWs) bands (ev): -69.2113 -69.2113 -69.2112 -69.2112 -36.1531 -36.1531 -36.1522 -36.1522 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8597 -35.8597 -21.1157 -21.1157 -7.9111 -7.9111 -6.0783 -6.0783 -5.8945 -5.8945 -3.2408 -3.2408 -3.0761 -3.0761 3.0306 3.0306 3.0597 3.0597 3.8993 3.8993 4.3327 4.3327 4.6900 4.6900 4.9668 4.9668 8.4287 8.4287 8.7005 8.7005 10.0927 10.0927 10.5090 10.5090 k = 0.2908 0.5036 0.2897 ( 6932 PWs) bands (ev): -69.2114 -69.2114 -69.2112 -69.2112 -36.1532 -36.1532 -36.1521 -36.1521 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8597 -35.8597 -21.1160 -21.1160 -7.9103 -7.9103 -6.0778 -6.0778 -5.8924 -5.8924 -3.2568 -3.2568 -3.0662 -3.0662 3.0187 3.0187 3.0519 3.0519 3.9253 3.9253 4.3727 4.3727 4.6783 4.6783 4.9986 4.9986 8.3963 8.3963 8.6951 8.6951 10.0726 10.0726 10.5154 10.5154 k = 0.2837 0.4914 0.2897 ( 6932 PWs) bands (ev): -69.2114 -69.2114 -69.2111 -69.2111 -36.1532 -36.1532 -36.1521 -36.1521 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8597 -35.8597 -21.1164 -21.1164 -7.9092 -7.9092 -6.0769 -6.0769 -5.8903 -5.8903 -3.2727 -3.2727 -3.0575 -3.0575 3.0078 3.0078 3.0439 3.0439 3.9549 3.9549 4.4167 4.4167 4.6704 4.6704 5.0297 5.0297 8.3658 8.3658 8.6851 8.6851 10.0532 10.0532 10.5118 10.5118 k = 0.2766 0.4791 0.2897 ( 6936 PWs) bands (ev): -69.2114 -69.2114 -69.2111 -69.2111 -36.1533 -36.1533 -36.1520 -36.1520 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8597 -35.8597 -21.1168 -21.1168 -7.9080 -7.9080 -6.0757 -6.0757 -5.8881 -5.8881 -3.2885 -3.2885 -3.0503 -3.0503 2.9986 2.9986 3.0362 3.0362 3.9876 3.9876 4.4635 4.4635 4.6667 4.6667 5.0596 5.0596 8.3373 8.3373 8.6720 8.6720 10.0351 10.0351 10.4960 10.4960 k = 0.2695 0.4668 0.2897 ( 6936 PWs) bands (ev): -69.2114 -69.2114 -69.2111 -69.2111 -36.1534 -36.1534 -36.1519 -36.1519 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8597 -35.8597 -21.1173 -21.1173 -7.9065 -7.9065 -6.0741 -6.0741 -5.8858 -5.8858 -3.3040 -3.3040 -3.0447 -3.0447 2.9915 2.9915 3.0294 3.0294 4.0232 4.0232 4.5120 4.5120 4.6674 4.6674 5.0882 5.0882 8.3110 8.3110 8.6572 8.6572 10.0188 10.0188 10.4674 10.4674 k = 0.2624 0.4545 0.2897 ( 6944 PWs) bands (ev): -69.2114 -69.2114 -69.2111 -69.2111 -36.1535 -36.1535 -36.1518 -36.1518 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8597 -35.8597 -21.1178 -21.1178 -7.9049 -7.9049 -6.0722 -6.0722 -5.8836 -5.8836 -3.3192 -3.3192 -3.0407 -3.0407 2.9866 2.9866 3.0242 3.0242 4.0614 4.0614 4.5602 4.5602 4.6736 4.6736 5.1151 5.1151 8.2871 8.2871 8.6419 8.6419 10.0045 10.0045 10.4276 10.4276 k = 0.2553 0.4422 0.2897 ( 6944 PWs) bands (ev): -69.2115 -69.2115 -69.2111 -69.2111 -36.1536 -36.1536 -36.1517 -36.1517 -35.8696 -35.8696 -35.8671 -35.8671 -35.8621 -35.8621 -35.8597 -35.8597 -21.1184 -21.1184 -7.9030 -7.9030 -6.0699 -6.0699 -5.8814 -5.8814 -3.3339 -3.3339 -3.0385 -3.0385 2.9834 2.9834 3.0220 3.0220 4.1021 4.1021 4.6046 4.6046 4.6880 4.6880 5.1402 5.1402 8.2657 8.2657 8.6271 8.6271 9.9921 9.9921 10.3792 10.3792 k = 0.2482 0.4299 0.2897 ( 6940 PWs) bands (ev): -69.2115 -69.2115 -69.2110 -69.2110 -36.1537 -36.1537 -36.1516 -36.1516 -35.8696 -35.8696 -35.8671 -35.8671 -35.8621 -35.8621 -35.8596 -35.8596 -21.1191 -21.1191 -7.9008 -7.9008 -6.0672 -6.0672 -5.8792 -5.8792 -3.3482 -3.3482 -3.0381 -3.0381 2.9812 2.9812 3.0239 3.0239 4.1449 4.1449 4.6392 4.6392 4.7158 4.7158 5.1633 5.1633 8.2470 8.2470 8.6139 8.6139 9.9814 9.9814 10.3254 10.3254 k = 0.2411 0.4177 0.2897 ( 6948 PWs) bands (ev): -69.2115 -69.2115 -69.2110 -69.2110 -36.1538 -36.1538 -36.1515 -36.1515 -35.8696 -35.8696 -35.8671 -35.8671 -35.8621 -35.8621 -35.8596 -35.8596 -21.1199 -21.1199 -7.8985 -7.8985 -6.0642 -6.0642 -5.8770 -5.8770 -3.3621 -3.3621 -3.0395 -3.0395 2.9794 2.9794 3.0310 3.0310 4.1898 4.1898 4.6631 4.6631 4.7570 4.7570 5.1843 5.1843 8.2312 8.2312 8.6030 8.6030 9.9720 9.9720 10.2689 10.2689 k = 0.2340 0.4054 0.2897 ( 6944 PWs) bands (ev): -69.2115 -69.2115 -69.2110 -69.2110 -36.1539 -36.1539 -36.1514 -36.1514 -35.8696 -35.8696 -35.8671 -35.8671 -35.8621 -35.8621 -35.8596 -35.8596 -21.1207 -21.1207 -7.8959 -7.8959 -6.0609 -6.0609 -5.8749 -5.8749 -3.3754 -3.3754 -3.0427 -3.0427 2.9779 2.9779 3.0439 3.0439 4.2365 4.2365 4.6824 4.6824 4.8049 4.8049 5.2031 5.2031 8.2186 8.2186 8.5949 8.5949 9.9632 9.9632 10.2119 10.2119 k = 0.2270 0.3931 0.2897 ( 6960 PWs) bands (ev): -69.2115 -69.2115 -69.2110 -69.2110 -36.1540 -36.1540 -36.1513 -36.1513 -35.8697 -35.8697 -35.8671 -35.8671 -35.8621 -35.8621 -35.8596 -35.8596 -21.1215 -21.1215 -7.8931 -7.8931 -6.0573 -6.0573 -5.8726 -5.8726 -3.3882 -3.3882 -3.0478 -3.0478 2.9770 2.9770 3.0624 3.0624 4.2850 4.2850 4.7011 4.7011 4.8543 4.8543 5.2198 5.2198 8.2091 8.2091 8.5903 8.5903 9.9539 9.9539 10.1560 10.1560 k = 0.2199 0.3808 0.2897 ( 6952 PWs) bands (ev): -69.2116 -69.2116 -69.2110 -69.2110 -36.1540 -36.1540 -36.1512 -36.1512 -35.8697 -35.8697 -35.8670 -35.8670 -35.8621 -35.8621 -35.8596 -35.8596 -21.1224 -21.1224 -7.8901 -7.8901 -6.0535 -6.0535 -5.8703 -5.8703 -3.4004 -3.4004 -3.0546 -3.0546 2.9773 2.9773 3.0862 3.0862 4.3351 4.3351 4.7207 4.7207 4.9029 4.9029 5.2347 5.2347 8.2031 8.2031 8.5893 8.5893 9.9427 9.9427 10.1023 10.1023 k = 0.2128 0.3685 0.2897 ( 6944 PWs) bands (ev): -69.2116 -69.2116 -69.2110 -69.2110 -36.1541 -36.1541 -36.1511 -36.1511 -35.8697 -35.8697 -35.8670 -35.8670 -35.8621 -35.8621 -35.8596 -35.8596 -21.1234 -21.1234 -7.8869 -7.8869 -6.0495 -6.0495 -5.8678 -5.8678 -3.4120 -3.4120 -3.0632 -3.0632 2.9789 2.9789 3.1154 3.1154 4.3865 4.3865 4.7417 4.7417 4.9492 4.9492 5.2481 5.2481 8.2006 8.2006 8.5921 8.5921 9.9278 9.9278 10.0515 10.0515 k = 0.2057 0.3562 0.2897 ( 6944 PWs) bands (ev): -69.2116 -69.2116 -69.2109 -69.2109 -36.1542 -36.1542 -36.1510 -36.1510 -35.8697 -35.8697 -35.8670 -35.8670 -35.8622 -35.8622 -35.8595 -35.8595 -21.1244 -21.1244 -7.8835 -7.8835 -6.0455 -6.0455 -5.8650 -5.8650 -3.4231 -3.4231 -3.0734 -3.0734 2.9822 2.9822 3.1497 3.1497 4.4392 4.4392 4.7641 4.7641 4.9916 4.9916 5.2608 5.2608 8.2019 8.2019 8.5989 8.5989 9.9075 9.9075 10.0041 10.0041 k = 0.1986 0.3440 0.2897 ( 6944 PWs) bands (ev): -69.2116 -69.2116 -69.2109 -69.2109 -36.1543 -36.1543 -36.1510 -36.1510 -35.8697 -35.8697 -35.8669 -35.8669 -35.8622 -35.8622 -35.8595 -35.8595 -21.1254 -21.1254 -7.8800 -7.8800 -6.0415 -6.0415 -5.8620 -5.8620 -3.4336 -3.4336 -3.0853 -3.0853 2.9871 2.9871 3.1890 3.1890 4.4928 4.4928 4.7879 4.7879 5.0289 5.0289 5.2740 5.2740 8.2071 8.2071 8.6095 8.6095 9.8804 9.8804 9.9595 9.9595 k = 0.1915 0.3317 0.2897 ( 6944 PWs) bands (ev): -69.2116 -69.2116 -69.2109 -69.2109 -36.1543 -36.1543 -36.1509 -36.1509 -35.8698 -35.8698 -35.8669 -35.8669 -35.8622 -35.8622 -35.8595 -35.8595 -21.1265 -21.1265 -7.8764 -7.8764 -6.0376 -6.0376 -5.8584 -5.8584 -3.4435 -3.4435 -3.0986 -3.0986 2.9938 2.9938 3.2331 3.2331 4.5472 4.5472 4.8132 4.8132 5.0593 5.0593 5.2888 5.2888 8.2162 8.2162 8.6235 8.6235 9.8460 9.8460 9.9172 9.9172 k = 0.1844 0.3194 0.2897 ( 6954 PWs) bands (ev): -69.2117 -69.2117 -69.2109 -69.2109 -36.1544 -36.1544 -36.1508 -36.1508 -35.8698 -35.8698 -35.8668 -35.8668 -35.8623 -35.8623 -35.8595 -35.8595 -21.1277 -21.1277 -7.8727 -7.8727 -6.0339 -6.0339 -5.8544 -5.8544 -3.4529 -3.4529 -3.1134 -3.1134 3.0022 3.0022 3.2819 3.2819 4.6018 4.6018 4.8400 4.8400 5.0816 5.0816 5.3065 5.3065 8.2294 8.2294 8.6406 8.6406 9.8041 9.8041 9.8763 9.8763 k = 0.1773 0.3071 0.2897 ( 6936 PWs) bands (ev): -69.2117 -69.2117 -69.2109 -69.2109 -36.1545 -36.1545 -36.1507 -36.1507 -35.8698 -35.8698 -35.8667 -35.8667 -35.8623 -35.8623 -35.8594 -35.8594 -21.1288 -21.1288 -7.8689 -7.8689 -6.0305 -6.0305 -5.8498 -5.8498 -3.4617 -3.4617 -3.1295 -3.1295 3.0126 3.0126 3.3351 3.3351 4.6563 4.6563 4.8683 4.8683 5.0955 5.0955 5.3275 5.3275 8.2466 8.2466 8.6601 8.6601 9.7553 9.7553 9.8361 9.8361 k = 0.1702 0.2948 0.2897 ( 6950 PWs) bands (ev): -69.2117 -69.2117 -69.2108 -69.2108 -36.1546 -36.1546 -36.1506 -36.1506 -35.8698 -35.8698 -35.8667 -35.8667 -35.8624 -35.8624 -35.8594 -35.8594 -21.1300 -21.1300 -7.8651 -7.8651 -6.0274 -6.0274 -5.8445 -5.8445 -3.4700 -3.4700 -3.1468 -3.1468 3.0246 3.0246 3.3926 3.3926 4.7100 4.7100 4.8983 4.8983 5.1018 5.1018 5.3512 5.3512 8.2679 8.2679 8.6812 8.6812 9.7007 9.7007 9.7956 9.7956 k = 0.1631 0.2825 0.2897 ( 6954 PWs) bands (ev): -69.2117 -69.2117 -69.2108 -69.2108 -36.1546 -36.1546 -36.1505 -36.1505 -35.8699 -35.8699 -35.8666 -35.8666 -35.8624 -35.8624 -35.8594 -35.8594 -21.1312 -21.1312 -7.8612 -7.8612 -6.0247 -6.0247 -5.8384 -5.8384 -3.4778 -3.4778 -3.1652 -3.1652 3.0384 3.0384 3.4540 3.4540 4.7620 4.7620 4.9302 4.9302 5.1024 5.1024 5.3763 5.3763 8.2932 8.2932 8.7028 8.7028 9.6422 9.6422 9.7549 9.7549 k = 0.1560 0.2702 0.2897 ( 6948 PWs) bands (ev): -69.2117 -69.2117 -69.2108 -69.2108 -36.1547 -36.1547 -36.1504 -36.1504 -35.8699 -35.8699 -35.8666 -35.8666 -35.8625 -35.8625 -35.8593 -35.8593 -21.1324 -21.1324 -7.8573 -7.8573 -6.0224 -6.0224 -5.8316 -5.8316 -3.4850 -3.4850 -3.1844 -3.1844 3.0539 3.0539 3.5189 3.5189 4.8114 4.8114 4.9638 4.9638 5.0996 5.0996 5.4015 5.4015 8.3223 8.3223 8.7236 8.7236 9.5816 9.5816 9.7157 9.7157 k = 0.1489 0.2580 0.2897 ( 6956 PWs) bands (ev): -69.2117 -69.2117 -69.2108 -69.2108 -36.1548 -36.1548 -36.1504 -36.1504 -35.8699 -35.8699 -35.8665 -35.8665 -35.8625 -35.8625 -35.8593 -35.8593 -21.1336 -21.1336 -7.8535 -7.8535 -6.0206 -6.0206 -5.8240 -5.8240 -3.4918 -3.4918 -3.2044 -3.2044 3.0709 3.0709 3.5871 3.5871 4.8575 4.8575 4.9968 4.9968 5.0977 5.0977 5.4259 5.4259 8.3549 8.3549 8.7422 8.7422 9.5203 9.5203 9.6800 9.6800 k = 0.1418 0.2457 0.2897 ( 6960 PWs) bands (ev): -69.2118 -69.2118 -69.2108 -69.2108 -36.1548 -36.1548 -36.1503 -36.1503 -35.8700 -35.8700 -35.8664 -35.8664 -35.8626 -35.8626 -35.8593 -35.8593 -21.1348 -21.1348 -7.8497 -7.8497 -6.0193 -6.0193 -5.8157 -5.8157 -3.4982 -3.4982 -3.2251 -3.2251 3.0892 3.0892 3.6578 3.6578 4.8996 4.8996 5.0218 5.0218 5.1055 5.1055 5.4488 5.4488 8.3908 8.3908 8.7569 8.7569 9.4597 9.4597 9.6496 9.6496 k = 0.1348 0.2334 0.2897 ( 6952 PWs) bands (ev): -69.2118 -69.2118 -69.2108 -69.2108 -36.1549 -36.1549 -36.1502 -36.1502 -35.8700 -35.8700 -35.8664 -35.8664 -35.8627 -35.8627 -35.8592 -35.8592 -21.1360 -21.1360 -7.8460 -7.8460 -6.0185 -6.0185 -5.8066 -5.8066 -3.5041 -3.5041 -3.2462 -3.2462 3.1088 3.1088 3.7307 3.7307 4.9381 4.9381 5.0292 5.0292 5.1331 5.1331 5.4696 5.4696 8.4294 8.4294 8.7662 8.7662 9.4009 9.4009 9.6258 9.6258 k = 0.1277 0.2211 0.2897 ( 6956 PWs) bands (ev): -69.2118 -69.2118 -69.2108 -69.2108 -36.1550 -36.1550 -36.1501 -36.1501 -35.8700 -35.8700 -35.8663 -35.8663 -35.8627 -35.8627 -35.8592 -35.8592 -21.1372 -21.1372 -7.8424 -7.8424 -6.0180 -6.0180 -5.7969 -5.7969 -3.5096 -3.5096 -3.2676 -3.2676 3.1295 3.1295 3.8049 3.8049 4.9736 4.9736 5.0246 5.0246 5.1752 5.1752 5.4883 5.4883 8.4698 8.4698 8.7687 8.7687 9.3450 9.3450 9.6092 9.6092 k = 0.1206 0.2088 0.2897 ( 6946 PWs) bands (ev): -69.2118 -69.2118 -69.2107 -69.2107 -36.1550 -36.1550 -36.1501 -36.1501 -35.8700 -35.8700 -35.8662 -35.8662 -35.8628 -35.8628 -35.8592 -35.8592 -21.1384 -21.1384 -7.8390 -7.8390 -6.0179 -6.0179 -5.7867 -5.7867 -3.5147 -3.5147 -3.2892 -3.2892 3.1510 3.1510 3.8795 3.8795 5.0061 5.0061 5.0174 5.0174 5.2229 5.2229 5.5047 5.5047 8.5113 8.5113 8.7635 8.7635 9.2934 9.2934 9.6000 9.6000 k = 0.1135 0.1965 0.2897 ( 6946 PWs) bands (ev): -69.2118 -69.2118 -69.2107 -69.2107 -36.1551 -36.1551 -36.1500 -36.1500 -35.8701 -35.8701 -35.8661 -35.8661 -35.8629 -35.8629 -35.8591 -35.8591 -21.1395 -21.1395 -7.8356 -7.8356 -6.0181 -6.0181 -5.7760 -5.7760 -3.5194 -3.5194 -3.3108 -3.3108 3.1732 3.1732 3.9534 3.9534 5.0084 5.0084 5.0396 5.0396 5.2725 5.2725 5.5189 5.5189 8.5523 8.5523 8.7502 8.7502 9.2472 9.2472 9.5975 9.5975 k = 0.1064 0.1843 0.2897 ( 6942 PWs) bands (ev): -69.2118 -69.2118 -69.2107 -69.2107 -36.1551 -36.1551 -36.1499 -36.1499 -35.8701 -35.8701 -35.8660 -35.8660 -35.8629 -35.8629 -35.8591 -35.8591 -21.1407 -21.1407 -7.8325 -7.8325 -6.0186 -6.0186 -5.7650 -5.7650 -3.5238 -3.5238 -3.3322 -3.3322 3.1958 3.1958 4.0252 4.0252 5.0041 5.0041 5.0706 5.0706 5.3219 5.3219 5.5311 5.5311 8.5911 8.5911 8.7289 8.7289 9.2082 9.2082 9.6005 9.6005 k = 0.0993 0.1720 0.2897 ( 6934 PWs) bands (ev): -69.2118 -69.2118 -69.2107 -69.2107 -36.1552 -36.1552 -36.1498 -36.1498 -35.8701 -35.8701 -35.8659 -35.8659 -35.8630 -35.8630 -35.8591 -35.8591 -21.1417 -21.1417 -7.8295 -7.8295 -6.0193 -6.0193 -5.7538 -5.7538 -3.5277 -3.5277 -3.3533 -3.3533 3.2185 3.2185 4.0934 4.0934 5.0046 5.0046 5.1013 5.1013 5.3699 5.3699 5.5412 5.5412 8.6250 8.6250 8.7009 8.7009 9.1778 9.1778 9.6072 9.6072 k = 0.0922 0.1597 0.2897 ( 6930 PWs) bands (ev): -69.2118 -69.2118 -69.2107 -69.2107 -36.1552 -36.1552 -36.1498 -36.1498 -35.8701 -35.8701 -35.8658 -35.8658 -35.8631 -35.8631 -35.8590 -35.8590 -21.1428 -21.1428 -7.8266 -7.8266 -6.0202 -6.0202 -5.7425 -5.7425 -3.5314 -3.5314 -3.3739 -3.3739 3.2411 3.2411 4.1561 4.1561 5.0118 5.0118 5.1317 5.1317 5.4156 5.4156 5.5498 5.5498 8.6431 8.6431 8.6752 8.6752 9.1576 9.1576 9.6149 9.6149 k = 0.0851 0.1474 0.2897 ( 6946 PWs) bands (ev): -69.2119 -69.2119 -69.2107 -69.2107 -36.1553 -36.1553 -36.1498 -36.1498 -35.8701 -35.8701 -35.8658 -35.8658 -35.8632 -35.8632 -35.8590 -35.8590 -21.1437 -21.1437 -7.8240 -7.8240 -6.0211 -6.0211 -5.7313 -5.7313 -3.5346 -3.5346 -3.3938 -3.3938 3.2634 3.2634 4.2115 4.2115 5.0274 5.0274 5.1621 5.1621 5.4582 5.4582 5.5568 5.5568 8.6123 8.6123 8.6840 8.6840 9.1482 9.1482 9.6157 9.6157 k = 0.0780 0.1351 0.2897 ( 6930 PWs) bands (ev): -69.2119 -69.2119 -69.2107 -69.2107 -36.1553 -36.1553 -36.1497 -36.1497 -35.8701 -35.8701 -35.8656 -35.8656 -35.8632 -35.8632 -35.8590 -35.8590 -21.1447 -21.1447 -7.8216 -7.8216 -6.0221 -6.0221 -5.7204 -5.7204 -3.5376 -3.5376 -3.4130 -3.4130 3.2851 3.2851 4.2580 4.2580 5.0526 5.0526 5.1925 5.1925 5.4971 5.4971 5.5628 5.5628 8.5633 8.5633 8.6968 8.6968 9.1485 9.1485 9.5776 9.5776 k = 0.0709 0.1228 0.2897 ( 6934 PWs) bands (ev): -69.2119 -69.2119 -69.2107 -69.2107 -36.1553 -36.1553 -36.1496 -36.1496 -35.8702 -35.8702 -35.8656 -35.8656 -35.8633 -35.8633 -35.8590 -35.8590 -21.1455 -21.1455 -7.8194 -7.8194 -6.0232 -6.0232 -5.7097 -5.7097 -3.5402 -3.5402 -3.4312 -3.4312 3.3058 3.3058 4.2950 4.2950 5.0875 5.0875 5.2228 5.2228 5.5318 5.5318 5.5678 5.5678 8.5070 8.5070 8.7047 8.7047 9.1556 9.1556 9.5001 9.5001 k = 0.0638 0.1106 0.2897 ( 6938 PWs) bands (ev): -69.2119 -69.2119 -69.2107 -69.2107 -36.1554 -36.1554 -36.1496 -36.1496 -35.8702 -35.8702 -35.8655 -35.8655 -35.8634 -35.8634 -35.8590 -35.8590 -21.1463 -21.1463 -7.8174 -7.8174 -6.0242 -6.0242 -5.6996 -5.6996 -3.5424 -3.5424 -3.4483 -3.4483 3.3255 3.3255 4.3225 4.3225 5.1312 5.1312 5.2530 5.2530 5.5619 5.5619 5.5724 5.5724 8.4451 8.4451 8.7093 8.7093 9.1652 9.1652 9.4211 9.4211 k = 0.0567 0.0983 0.2897 ( 6938 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1554 -36.1554 -36.1496 -36.1496 -35.8702 -35.8702 -35.8654 -35.8654 -35.8635 -35.8635 -35.8589 -35.8589 -21.1471 -21.1471 -7.8156 -7.8156 -6.0253 -6.0253 -5.6901 -5.6901 -3.5443 -3.5443 -3.4642 -3.4642 3.3438 3.3438 4.3416 4.3416 5.1815 5.1815 5.2827 5.2827 5.5763 5.5763 5.5877 5.5877 8.3789 8.3789 8.7130 8.7130 9.1731 9.1731 9.3496 9.3496 k = 0.0496 0.0860 0.2897 ( 6938 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1554 -36.1554 -36.1495 -36.1495 -35.8702 -35.8702 -35.8653 -35.8653 -35.8636 -35.8636 -35.8589 -35.8589 -21.1477 -21.1477 -7.8140 -7.8140 -6.0262 -6.0262 -5.6813 -5.6813 -3.5457 -3.5457 -3.4787 -3.4787 3.3605 3.3605 4.3540 4.3540 5.2357 5.2357 5.3118 5.3118 5.5803 5.5803 5.6085 5.6085 8.3104 8.3104 8.7178 8.7178 9.1758 9.1758 9.2877 9.2877 k = 0.0426 0.0737 0.2897 ( 6930 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1554 -36.1554 -36.1495 -36.1495 -35.8703 -35.8703 -35.8652 -35.8652 -35.8636 -35.8636 -35.8589 -35.8589 -21.1483 -21.1483 -7.8126 -7.8126 -6.0271 -6.0271 -5.6735 -5.6735 -3.5468 -3.5468 -3.4918 -3.4918 3.3754 3.3754 4.3613 4.3613 5.2901 5.2901 5.3401 5.3401 5.5838 5.5838 5.6255 5.6255 8.2418 8.2418 8.7249 8.7249 9.1714 9.1714 9.2359 9.2359 k = 0.0355 0.0614 0.2897 ( 6938 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1555 -36.1555 -36.1495 -36.1495 -35.8703 -35.8703 -35.8652 -35.8652 -35.8637 -35.8637 -35.8589 -35.8589 -21.1488 -21.1488 -7.8114 -7.8114 -6.0278 -6.0278 -5.6666 -5.6666 -3.5474 -3.5474 -3.5035 -3.5035 3.3883 3.3883 4.3650 4.3650 5.3396 5.3396 5.3689 5.3689 5.5864 5.5864 5.6395 5.6395 8.1761 8.1761 8.7348 8.7348 9.1593 9.1593 9.1944 9.1944 k = 0.0284 0.0491 0.2897 ( 6934 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1555 -36.1555 -36.1494 -36.1494 -35.8703 -35.8703 -35.8651 -35.8651 -35.8637 -35.8637 -35.8589 -35.8589 -21.1492 -21.1492 -7.8105 -7.8105 -6.0285 -6.0285 -5.6608 -5.6608 -3.5474 -3.5474 -3.5136 -3.5136 3.3991 3.3991 4.3665 4.3665 5.3747 5.3747 5.4043 5.4043 5.5867 5.5867 5.6519 5.6519 8.1164 8.1164 8.7471 8.7471 9.1410 9.1410 9.1628 9.1628 k = 0.0213 0.0369 0.2897 ( 6936 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1555 -36.1555 -36.1494 -36.1494 -35.8703 -35.8703 -35.8650 -35.8650 -35.8638 -35.8638 -35.8588 -35.8588 -21.1495 -21.1495 -7.8098 -7.8098 -6.0290 -6.0290 -5.6563 -5.6563 -3.5469 -3.5469 -3.5221 -3.5221 3.4076 3.4076 4.3667 4.3667 5.3958 5.3958 5.4434 5.4434 5.5834 5.5834 5.6637 5.6637 8.0657 8.0657 8.7608 8.7608 9.1211 9.1211 9.1383 9.1383 k = 0.0142 0.0246 0.2897 ( 6938 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1555 -36.1555 -36.1494 -36.1494 -35.8703 -35.8703 -35.8650 -35.8650 -35.8638 -35.8638 -35.8589 -35.8589 -21.1497 -21.1497 -7.8092 -7.8092 -6.0293 -6.0293 -5.6529 -5.6529 -3.5457 -3.5457 -3.5290 -3.5290 3.4138 3.4138 4.3664 4.3664 5.4095 5.4095 5.4781 5.4781 5.5756 5.5756 5.6744 5.6744 8.0270 8.0270 8.7738 8.7738 9.1047 9.1047 9.1188 9.1188 k = 0.0071 0.0123 0.2897 ( 6924 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1555 -36.1555 -36.1494 -36.1494 -35.8703 -35.8703 -35.8650 -35.8650 -35.8638 -35.8638 -35.8588 -35.8588 -21.1498 -21.1498 -7.8089 -7.8089 -6.0296 -6.0296 -5.6509 -5.6509 -3.5440 -3.5440 -3.5342 -3.5342 3.4175 3.4175 4.3661 4.3661 5.4176 5.4176 5.5053 5.5053 5.5645 5.5645 5.6821 5.6821 8.0028 8.0028 8.7834 8.7834 9.0941 9.0941 9.1058 9.1058 k = 0.0000 0.0000 0.2897 ( 6924 PWs) bands (ev): -69.2119 -69.2119 -69.2106 -69.2106 -36.1555 -36.1555 -36.1494 -36.1494 -35.8703 -35.8703 -35.8650 -35.8650 -35.8638 -35.8638 -35.8588 -35.8588 -21.1499 -21.1499 -7.8088 -7.8088 -6.0296 -6.0296 -5.6502 -5.6502 -3.5427 -3.5427 -3.5367 -3.5367 3.4187 3.4187 4.3659 4.3659 5.4202 5.4202 5.5181 5.5181 5.5569 5.5569 5.6850 5.6850 7.9945 7.9945 8.7870 8.7870 9.0903 9.0903 9.1013 9.1013 k = 0.5000 0.2887 0.2897 ( 6940 PWs) bands (ev): -69.2115 -69.2115 -69.2111 -69.2111 -36.1537 -36.1537 -36.1516 -36.1516 -35.8695 -35.8695 -35.8674 -35.8674 -35.8618 -35.8618 -35.8598 -35.8598 -21.1189 -21.1189 -7.9082 -7.9082 -6.1145 -6.1145 -5.8027 -5.8027 -3.4669 -3.4669 -2.9197 -2.9197 2.6403 2.6403 2.8866 2.8866 4.2708 4.2708 4.5243 4.5243 5.4996 5.4996 5.7210 5.7210 7.3592 7.3592 8.2431 8.2431 9.1990 9.1990 10.0651 10.0651 k = 0.5000 0.2887 0.2759 ( 6948 PWs) bands (ev): -69.2115 -69.2115 -69.2111 -69.2111 -36.1537 -36.1537 -36.1516 -36.1516 -35.8695 -35.8695 -35.8674 -35.8674 -35.8618 -35.8618 -35.8598 -35.8598 -21.1189 -21.1189 -7.9082 -7.9082 -6.1146 -6.1146 -5.8027 -5.8027 -3.4662 -3.4662 -2.9204 -2.9204 2.6401 2.6401 2.8868 2.8868 4.2734 4.2734 4.5255 4.5255 5.4957 5.4957 5.7170 5.7170 7.3571 7.3571 8.2508 8.2508 9.2021 9.2021 10.0657 10.0657 k = 0.5000 0.2887 0.2621 ( 6956 PWs) bands (ev): -69.2115 -69.2115 -69.2111 -69.2111 -36.1537 -36.1537 -36.1516 -36.1516 -35.8695 -35.8695 -35.8674 -35.8674 -35.8618 -35.8618 -35.8598 -35.8598 -21.1189 -21.1189 -7.9082 -7.9082 -6.1146 -6.1146 -5.8027 -5.8027 -3.4643 -3.4643 -2.9227 -2.9227 2.6393 2.6393 2.8877 2.8877 4.2814 4.2814 4.5289 4.5289 5.4838 5.4838 5.7054 5.7054 7.3511 7.3511 8.2735 8.2735 9.2116 9.2116 10.0676 10.0676 k = 0.5000 0.2887 0.2483 ( 6968 PWs) bands (ev): -69.2115 -69.2115 -69.2111 -69.2111 -36.1537 -36.1537 -36.1517 -36.1517 -35.8695 -35.8695 -35.8674 -35.8674 -35.8618 -35.8618 -35.8598 -35.8598 -21.1189 -21.1189 -7.9083 -7.9083 -6.1148 -6.1148 -5.8026 -5.8026 -3.4610 -3.4610 -2.9264 -2.9264 2.6375 2.6375 2.8898 2.8898 4.2943 4.2943 4.5347 4.5347 5.4639 5.4639 5.6869 5.6869 7.3416 7.3416 8.3101 8.3101 9.2274 9.2274 10.0705 10.0705 k = 0.5000 0.2887 0.2345 ( 6956 PWs) bands (ev): -69.2115 -69.2115 -69.2111 -69.2111 -36.1537 -36.1537 -36.1516 -36.1516 -35.8695 -35.8695 -35.8674 -35.8674 -35.8618 -35.8618 -35.8598 -35.8598 -21.1189 -21.1189 -7.9083 -7.9083 -6.1149 -6.1149 -5.8026 -5.8026 -3.4564 -3.4564 -2.9316 -2.9316 2.6344 2.6344 2.8938 2.8938 4.3118 4.3118 4.5428 4.5428 5.4358 5.4358 5.6630 5.6630 7.3292 7.3292 8.3590 8.3590 9.2497 9.2497 10.0740 10.0740 k = 0.5000 0.2887 0.2207 ( 6954 PWs) bands (ev): -69.2115 -69.2115 -69.2111 -69.2111 -36.1537 -36.1537 -36.1516 -36.1516 -35.8695 -35.8695 -35.8674 -35.8674 -35.8618 -35.8618 -35.8598 -35.8598 -21.1189 -21.1189 -7.9083 -7.9083 -6.1151 -6.1151 -5.8025 -5.8025 -3.4506 -3.4506 -2.9381 -2.9381 2.6292 2.6292 2.9006 2.9006 4.3333 4.3333 4.5532 4.5532 5.3996 5.3996 5.6348 5.6348 7.3147 7.3147 8.4180 8.4180 9.2786 9.2786 10.0774 10.0774 k = 0.5000 0.2887 0.2069 ( 6944 PWs) bands (ev): -69.2115 -69.2115 -69.2111 -69.2111 -36.1536 -36.1536 -36.1516 -36.1516 -35.8695 -35.8695 -35.8674 -35.8674 -35.8618 -35.8618 -35.8598 -35.8598 -21.1189 -21.1189 -7.9083 -7.9083 -6.1154 -6.1154 -5.8024 -5.8024 -3.4436 -3.4436 -2.9460 -2.9460 2.6218 2.6218 2.9109 2.9109 4.3581 4.3581 4.5657 4.5657 5.3559 5.3559 5.6037 5.6037 7.2987 7.2987 8.4852 8.4852 9.3143 9.3143 10.0801 10.0801 k = 0.5000 0.2887 0.1931 ( 6940 PWs) bands (ev): -69.2115 -69.2115 -69.2111 -69.2111 -36.1536 -36.1536 -36.1516 -36.1516 -35.8695 -35.8695 -35.8674 -35.8674 -35.8618 -35.8618 -35.8598 -35.8598 -21.1189 -21.1189 -7.9084 -7.9084 -6.1157 -6.1157 -5.8024 -5.8024 -3.4354 -3.4354 -2.9552 -2.9552 2.6120 2.6120 2.9249 2.9249 4.3856 4.3856 4.5805 4.5805 5.3053 5.3053 5.5704 5.5704 7.2816 7.2816 8.5585 8.5585 9.3571 9.3571 10.0812 10.0812 k = 0.5000 0.2887 0.1793 ( 6934 PWs) bands (ev): -69.2115 -69.2115 -69.2110 -69.2110 -36.1536 -36.1536 -36.1516 -36.1516 -35.8694 -35.8694 -35.8674 -35.8674 -35.8618 -35.8618 -35.8598 -35.8598 -21.1189 -21.1189 -7.9084 -7.9084 -6.1159 -6.1159 -5.8023 -5.8023 -3.4262 -3.4262 -2.9655 -2.9655 2.6001 2.6001 2.9429 2.9429 4.4150 4.4150 4.5973 4.5973 5.2493 5.2493 5.5355 5.5355 7.2641 7.2641 8.6356 8.6356 9.4075 9.4075 10.0798 10.0798 k = 0.5000 0.2887 0.1655 ( 6940 PWs) bands (ev): -69.2115 -69.2115 -69.2111 -69.2111 -36.1536 -36.1536 -36.1516 -36.1516 -35.8695 -35.8695 -35.8674 -35.8674 -35.8618 -35.8618 -35.8598 -35.8598 -21.1189 -21.1189 -7.9084 -7.9084 -6.1163 -6.1163 -5.8022 -5.8022 -3.4159 -3.4159 -2.9770 -2.9770 2.5865 2.5865 2.9646 2.9646 4.4456 4.4456 4.6162 4.6162 5.1890 5.1890 5.4993 5.4993 7.2465 7.2465 8.7147 8.7147 9.4656 9.4656 10.0751 10.0751 k = 0.5000 0.2887 0.1518 ( 6936 PWs) bands (ev): -69.2115 -69.2115 -69.2110 -69.2110 -36.1536 -36.1536 -36.1516 -36.1516 -35.8694 -35.8694 -35.8674 -35.8674 -35.8618 -35.8618 -35.8598 -35.8598 -21.1189 -21.1189 -7.9085 -7.9085 -6.1166 -6.1166 -5.8021 -5.8021 -3.4046 -3.4046 -2.9894 -2.9894 2.5717 2.5717 2.9894 2.9894 4.4766 4.4766 4.6369 4.6369 5.1262 5.1262 5.4620 5.4620 7.2292 7.2292 8.7940 8.7940 9.5317 9.5317 10.0665 10.0665 k = 0.5000 0.2887 0.1380 ( 6936 PWs) bands (ev): -69.2115 -69.2115 -69.2110 -69.2110 -36.1536 -36.1536 -36.1517 -36.1517 -35.8694 -35.8694 -35.8674 -35.8674 -35.8618 -35.8618 -35.8598 -35.8598 -21.1189 -21.1189 -7.9085 -7.9085 -6.1169 -6.1169 -5.8020 -5.8020 -3.3926 -3.3926 -3.0026 -3.0026 2.5564 2.5564 3.0170 3.0170 4.5075 4.5075 4.6592 4.6592 5.0621 5.0621 5.4239 5.4239 7.2124 7.2124 8.8720 8.8720 9.6050 9.6050 10.0541 10.0541 k = 0.5000 0.2887 0.1242 ( 6928 PWs) bands (ev): -69.2115 -69.2115 -69.2110 -69.2110 -36.1536 -36.1536 -36.1516 -36.1516 -35.8694 -35.8694 -35.8674 -35.8674 -35.8618 -35.8618 -35.8598 -35.8598 -21.1189 -21.1189 -7.9085 -7.9085 -6.1172 -6.1172 -5.8019 -5.8019 -3.3798 -3.3798 -3.0165 -3.0165 2.5410 2.5410 3.0464 3.0464 4.5374 4.5374 4.6831 4.6831 4.9985 4.9985 5.3851 5.3851 7.1965 7.1965 8.9479 8.9479 9.6839 9.6839 10.0390 10.0390 k = 0.5000 0.2887 0.1104 ( 6924 PWs) bands (ev): -69.2115 -69.2115 -69.2110 -69.2110 -36.1536 -36.1536 -36.1516 -36.1516 -35.8694 -35.8694 -35.8674 -35.8674 -35.8618 -35.8618 -35.8598 -35.8598 -21.1189 -21.1189 -7.9086 -7.9086 -6.1176 -6.1176 -5.8018 -5.8018 -3.3665 -3.3665 -3.0309 -3.0309 2.5260 2.5260 3.0771 3.0771 4.5655 4.5655 4.7081 4.7081 4.9368 4.9368 5.3459 5.3459 7.1816 7.1816 9.0209 9.0209 9.7627 9.7627 10.0261 10.0261 k = 0.5000 0.2887 0.0966 ( 6930 PWs) bands (ev): -69.2115 -69.2115 -69.2111 -69.2111 -36.1536 -36.1536 -36.1516 -36.1516 -35.8695 -35.8695 -35.8673 -35.8673 -35.8618 -35.8618 -35.8598 -35.8598 -21.1189 -21.1189 -7.9086 -7.9086 -6.1179 -6.1179 -5.8017 -5.8017 -3.3529 -3.3529 -3.0457 -3.0457 2.5119 2.5119 3.1080 3.1080 4.5910 4.5910 4.7338 4.7338 4.8791 4.8791 5.3067 5.3067 7.1680 7.1680 9.0910 9.0910 9.8253 9.8253 10.0303 10.0303 k = 0.5000 0.2887 0.0828 ( 6940 PWs) bands (ev): -69.2115 -69.2115 -69.2111 -69.2111 -36.1536 -36.1536 -36.1516 -36.1516 -35.8695 -35.8695 -35.8674 -35.8674 -35.8618 -35.8618 -35.8598 -35.8598 -21.1189 -21.1189 -7.9086 -7.9086 -6.1181 -6.1181 -5.8016 -5.8016 -3.3391 -3.3391 -3.0604 -3.0604 2.4991 2.4991 3.1383 3.1383 4.6125 4.6125 4.7590 4.7590 4.8284 4.8284 5.2677 5.2677 7.1559 7.1559 9.1582 9.1582 9.8451 9.8451 10.0774 10.0774 k = 0.5000 0.2887 0.0690 ( 6936 PWs) bands (ev): -69.2115 -69.2115 -69.2111 -69.2111 -36.1536 -36.1536 -36.1516 -36.1516 -35.8695 -35.8695 -35.8674 -35.8674 -35.8618 -35.8618 -35.8598 -35.8598 -21.1189 -21.1189 -7.9087 -7.9087 -6.1184 -6.1184 -5.8016 -5.8016 -3.3255 -3.3255 -3.0748 -3.0748 2.4877 2.4877 3.1670 3.1670 4.6275 4.6275 4.7700 4.7700 4.8014 4.8014 5.2297 5.2297 7.1454 7.1454 9.2228 9.2228 9.8260 9.8260 10.1616 10.1616 k = 0.5000 0.2887 0.0552 ( 6928 PWs) bands (ev): -69.2115 -69.2115 -69.2111 -69.2111 -36.1536 -36.1536 -36.1516 -36.1516 -35.8695 -35.8695 -35.8674 -35.8674 -35.8618 -35.8618 -35.8598 -35.8598 -21.1189 -21.1189 -7.9087 -7.9087 -6.1186 -6.1186 -5.8015 -5.8015 -3.3127 -3.3127 -3.0884 -3.0884 2.4781 2.4781 3.1927 3.1927 4.6324 4.6324 4.7480 4.7480 4.8206 4.8206 5.1934 5.1934 7.1366 7.1366 9.2846 9.2846 9.7897 9.7897 10.2590 10.2590 k = 0.5000 0.2887 0.0414 ( 6924 PWs) bands (ev): -69.2115 -69.2115 -69.2110 -69.2110 -36.1536 -36.1536 -36.1516 -36.1516 -35.8695 -35.8695 -35.8674 -35.8674 -35.8618 -35.8618 -35.8597 -35.8597 -21.1189 -21.1189 -7.9087 -7.9087 -6.1187 -6.1187 -5.8015 -5.8015 -3.3011 -3.3011 -3.1005 -3.1005 2.4705 2.4705 3.2144 3.2144 4.6253 4.6253 4.7353 4.7353 4.8456 4.8456 5.1599 5.1599 7.1296 7.1296 9.3431 9.3431 9.7465 9.7465 10.3557 10.3557 k = 0.5000 0.2887 0.0276 ( 6928 PWs) bands (ev): -69.2115 -69.2115 -69.2110 -69.2110 -36.1536 -36.1536 -36.1516 -36.1516 -35.8695 -35.8695 -35.8674 -35.8674 -35.8618 -35.8618 -35.8597 -35.8597 -21.1189 -21.1189 -7.9087 -7.9087 -6.1189 -6.1189 -5.8014 -5.8014 -3.2917 -3.2917 -3.1104 -3.1104 2.4649 2.4649 3.2309 3.2309 4.6123 4.6123 4.7330 4.7330 4.8684 4.8684 5.1315 5.1315 7.1246 7.1246 9.3965 9.3965 9.7024 9.7024 10.4407 10.4407 k = 0.5000 0.2887 0.0138 ( 6928 PWs) bands (ev): -69.2115 -69.2115 -69.2110 -69.2110 -36.1536 -36.1536 -36.1516 -36.1516 -35.8695 -35.8695 -35.8674 -35.8674 -35.8618 -35.8618 -35.8597 -35.8597 -21.1189 -21.1189 -7.9087 -7.9087 -6.1189 -6.1189 -5.8014 -5.8014 -3.2854 -3.2854 -3.1169 -3.1169 2.4615 2.4615 3.2412 3.2412 4.6015 4.6015 4.7340 4.7340 4.8851 4.8851 5.1114 5.1114 7.1216 7.1216 9.4389 9.4389 9.6648 9.6648 10.5011 10.5011 k = 0.5000 0.2887-0.0000 ( 6936 PWs) bands (ev): -69.2115 -69.2115 -69.2111 -69.2111 -36.1536 -36.1536 -36.1516 -36.1516 -35.8695 -35.8695 -35.8674 -35.8674 -35.8618 -35.8618 -35.8597 -35.8597 -21.1189 -21.1189 -7.9087 -7.9087 -6.1190 -6.1190 -5.8014 -5.8014 -3.2832 -3.2832 -3.1192 -3.1192 2.4604 2.4604 3.2448 3.2448 4.5975 4.5975 4.7347 4.7347 4.8914 4.8914 5.1039 5.1039 7.1206 7.1206 9.4569 9.4569 9.6484 9.6484 10.5234 10.5234 k = 0.3333 0.5774-0.0000 ( 6876 PWs) bands (ev): -69.2112 -69.2112 -69.2112 -69.2112 -36.1526 -36.1526 -36.1526 -36.1526 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8596 -35.8596 -21.1150 -21.1150 -7.9131 -7.9131 -6.0820 -6.0820 -5.9003 -5.9003 -3.1674 -3.1674 -3.1089 -3.1089 2.8974 2.8974 2.9538 2.9538 3.3576 3.3576 4.9059 4.9059 4.9641 4.9641 4.9837 4.9837 9.3842 9.3842 9.4438 9.4438 9.4754 9.4754 9.8431 9.8431 k = 0.3333 0.5774 0.0138 ( 6882 PWs) bands (ev): -69.2113 -69.2113 -69.2113 -69.2113 -36.1526 -36.1526 -36.1526 -36.1526 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8596 -35.8596 -21.1150 -21.1150 -7.9131 -7.9131 -6.0819 -6.0819 -5.9003 -5.9003 -3.1675 -3.1675 -3.1090 -3.1090 2.8983 2.8983 2.9545 2.9545 3.3591 3.3591 4.9054 4.9054 4.9610 4.9610 4.9828 4.9828 9.3868 9.3868 9.4258 9.4258 9.4579 9.4579 9.8642 9.8642 k = 0.3333 0.5774 0.0276 ( 6900 PWs) bands (ev): -69.2113 -69.2113 -69.2113 -69.2113 -36.1527 -36.1527 -36.1526 -36.1526 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8596 -35.8596 -21.1151 -21.1151 -7.9131 -7.9131 -6.0819 -6.0819 -5.9003 -5.9003 -3.1677 -3.1677 -3.1093 -3.1093 2.9009 2.9009 2.9565 2.9565 3.3637 3.3637 4.9038 4.9038 4.9519 4.9519 4.9799 4.9799 9.3805 9.3805 9.3877 9.3877 9.4205 9.4205 9.9190 9.9190 k = 0.3333 0.5774 0.0414 ( 6903 PWs) bands (ev): -69.2113 -69.2113 -69.2113 -69.2113 -36.1527 -36.1527 -36.1526 -36.1526 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8596 -35.8596 -21.1151 -21.1151 -7.9131 -7.9131 -6.0818 -6.0818 -5.9003 -5.9003 -3.1680 -3.1680 -3.1097 -3.1097 2.9053 2.9053 2.9598 2.9598 3.3713 3.3713 4.9010 4.9010 4.9369 4.9369 4.9753 4.9753 9.3215 9.3215 9.3423 9.3423 9.4217 9.4217 9.9937 9.9937 k = 0.3333 0.5774 0.0552 ( 6906 PWs) bands (ev): -69.2113 -69.2113 -69.2113 -69.2113 -36.1527 -36.1527 -36.1526 -36.1526 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8596 -35.8596 -21.1151 -21.1151 -7.9131 -7.9131 -6.0817 -6.0817 -5.9003 -5.9003 -3.1684 -3.1684 -3.1103 -3.1103 2.9113 2.9113 2.9643 2.9643 3.3819 3.3819 4.8962 4.8962 4.9173 4.9173 4.9689 4.9689 9.2573 9.2573 9.2771 9.2771 9.4435 9.4435 10.0799 10.0799 k = 0.3333 0.5774 0.0690 ( 6906 PWs) bands (ev): -69.2113 -69.2113 -69.2113 -69.2113 -36.1527 -36.1527 -36.1526 -36.1526 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8596 -35.8596 -21.1151 -21.1151 -7.9131 -7.9131 -6.0815 -6.0815 -5.9003 -5.9003 -3.1689 -3.1689 -3.1111 -3.1111 2.9189 2.9189 2.9700 2.9700 3.3955 3.3955 4.8828 4.8828 4.9000 4.9000 4.9609 4.9609 9.1922 9.1922 9.2092 9.2092 9.4724 9.4724 10.1731 10.1731 k = 0.3333 0.5774 0.0828 ( 6906 PWs) bands (ev): -69.2113 -69.2113 -69.2113 -69.2113 -36.1527 -36.1527 -36.1526 -36.1526 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8596 -35.8596 -21.1151 -21.1151 -7.9131 -7.9131 -6.0813 -6.0813 -5.9003 -5.9003 -3.1695 -3.1695 -3.1120 -3.1120 2.9279 2.9279 2.9766 2.9766 3.4120 3.4120 4.8542 4.8542 4.8922 4.8922 4.9514 4.9514 9.1283 9.1283 9.1420 9.1420 9.5070 9.5070 10.2710 10.2710 k = 0.3333 0.5774 0.0966 ( 6894 PWs) bands (ev): -69.2113 -69.2113 -69.2113 -69.2113 -36.1527 -36.1527 -36.1526 -36.1526 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8596 -35.8596 -21.1150 -21.1150 -7.9130 -7.9130 -6.0811 -6.0811 -5.9003 -5.9003 -3.1702 -3.1702 -3.1130 -3.1130 2.9381 2.9381 2.9842 2.9842 3.4315 3.4315 4.8187 4.8187 4.8860 4.8860 4.9405 4.9405 9.0668 9.0668 9.0768 9.0768 9.5465 9.5465 10.3723 10.3723 k = 0.3333 0.5774 0.1104 ( 6897 PWs) bands (ev): -69.2113 -69.2113 -69.2113 -69.2113 -36.1527 -36.1527 -36.1526 -36.1526 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8596 -35.8596 -21.1150 -21.1150 -7.9130 -7.9130 -6.0809 -6.0809 -5.9003 -5.9003 -3.1710 -3.1710 -3.1141 -3.1141 2.9494 2.9494 2.9925 2.9925 3.4537 3.4537 4.7788 4.7788 4.8796 4.8796 4.9285 4.9285 9.0085 9.0085 9.0144 9.0144 9.5901 9.5901 10.4761 10.4761 k = 0.3333 0.5774 0.1242 ( 6903 PWs) bands (ev): -69.2113 -69.2113 -69.2113 -69.2113 -36.1527 -36.1527 -36.1526 -36.1526 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8596 -35.8596 -21.1150 -21.1150 -7.9130 -7.9130 -6.0807 -6.0807 -5.9003 -5.9003 -3.1718 -3.1718 -3.1153 -3.1153 2.9616 2.9616 3.0014 3.0014 3.4786 3.4786 4.7352 4.7352 4.8730 4.8730 4.9155 4.9155 8.9537 8.9537 8.9555 8.9555 9.6372 9.6372 10.5564 10.5564 k = 0.3333 0.5774 0.1380 ( 6912 PWs) bands (ev): -69.2113 -69.2113 -69.2113 -69.2113 -36.1527 -36.1527 -36.1526 -36.1526 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8596 -35.8596 -21.1151 -21.1151 -7.9129 -7.9129 -6.0804 -6.0804 -5.9003 -5.9003 -3.1726 -3.1726 -3.1165 -3.1165 2.9743 2.9743 3.0106 3.0106 3.5061 3.5061 4.6887 4.6887 4.8660 4.8660 4.9019 4.9019 8.9004 8.9004 8.9027 8.9027 9.6869 9.6869 10.5745 10.5745 k = 0.3333 0.5774 0.1518 ( 6909 PWs) bands (ev): -69.2113 -69.2113 -69.2113 -69.2113 -36.1527 -36.1527 -36.1526 -36.1526 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8596 -35.8596 -21.1151 -21.1151 -7.9129 -7.9129 -6.0802 -6.0802 -5.9003 -5.9003 -3.1734 -3.1734 -3.1178 -3.1178 2.9874 2.9874 3.0201 3.0201 3.5360 3.5360 4.6398 4.6398 4.8589 4.8589 4.8880 4.8880 8.8493 8.8493 8.8558 8.8558 9.7386 9.7386 10.5825 10.5825 k = 0.3333 0.5774 0.1655 ( 6912 PWs) bands (ev): -69.2113 -69.2113 -69.2113 -69.2113 -36.1527 -36.1527 -36.1526 -36.1526 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8596 -35.8596 -21.1151 -21.1151 -7.9129 -7.9129 -6.0799 -6.0799 -5.9003 -5.9003 -3.1742 -3.1742 -3.1190 -3.1190 3.0006 3.0006 3.0295 3.0295 3.5680 3.5680 4.5893 4.5893 4.8518 4.8518 4.8739 4.8739 8.8026 8.8026 8.8132 8.8132 9.7916 9.7916 10.5850 10.5850 k = 0.3333 0.5774 0.1793 ( 6906 PWs) bands (ev): -69.2113 -69.2113 -69.2113 -69.2113 -36.1527 -36.1527 -36.1526 -36.1526 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8596 -35.8596 -21.1150 -21.1150 -7.9129 -7.9129 -6.0797 -6.0797 -5.9003 -5.9003 -3.1750 -3.1750 -3.1202 -3.1202 3.0135 3.0135 3.0386 3.0386 3.6021 3.6021 4.5377 4.5377 4.8449 4.8449 4.8601 4.8601 8.7604 8.7604 8.7748 8.7748 9.8452 9.8452 10.5825 10.5825 k = 0.3333 0.5774 0.1931 ( 6912 PWs) bands (ev): -69.2113 -69.2113 -69.2113 -69.2113 -36.1527 -36.1527 -36.1526 -36.1526 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8596 -35.8596 -21.1151 -21.1151 -7.9128 -7.9128 -6.0795 -6.0795 -5.9003 -5.9003 -3.1758 -3.1758 -3.1213 -3.1213 3.0258 3.0258 3.0473 3.0473 3.6376 3.6376 4.4857 4.4857 4.8383 4.8383 4.8468 4.8468 8.7229 8.7229 8.7409 8.7409 9.8987 9.8987 10.5746 10.5746 k = 0.3333 0.5774 0.2069 ( 6915 PWs) bands (ev): -69.2113 -69.2113 -69.2113 -69.2113 -36.1527 -36.1527 -36.1526 -36.1526 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8597 -35.8597 -21.1151 -21.1151 -7.9128 -7.9128 -6.0793 -6.0793 -5.9003 -5.9003 -3.1765 -3.1765 -3.1223 -3.1223 3.0373 3.0373 3.0554 3.0554 3.6742 3.6742 4.4343 4.4343 4.8321 4.8321 4.8345 4.8345 8.6901 8.6901 8.7114 8.7114 9.9513 9.9513 10.5617 10.5617 k = 0.3333 0.5774 0.2207 ( 6927 PWs) bands (ev): -69.2113 -69.2113 -69.2113 -69.2113 -36.1527 -36.1527 -36.1526 -36.1526 -35.8696 -35.8696 -35.8671 -35.8671 -35.8620 -35.8620 -35.8597 -35.8597 -21.1151 -21.1151 -7.9128 -7.9128 -6.0791 -6.0791 -5.9003 -5.9003 -3.1771 -3.1771 -3.1232 -3.1232 3.0476 3.0476 3.0626 3.0626 3.7111 3.7111 4.3845 4.3845 4.8234 4.8234 4.8265 4.8265 8.6622 8.6622 8.6864 8.6864 10.0021 10.0021 10.5442 10.5442 k = 0.3333 0.5774 0.2345 ( 6942 PWs) bands (ev): -69.2113 -69.2113 -69.2113 -69.2113 -36.1527 -36.1527 -36.1526 -36.1526 -35.8696 -35.8696 -35.8671 -35.8671 -35.8621 -35.8621 -35.8597 -35.8597 -21.1151 -21.1151 -7.9128 -7.9128 -6.0789 -6.0789 -5.9003 -5.9003 -3.1776 -3.1776 -3.1240 -3.1240 3.0565 3.0565 3.0687 3.0687 3.7471 3.7471 4.3375 4.3375 4.8139 4.8139 4.8218 4.8218 8.6392 8.6392 8.6659 8.6659 10.0500 10.0500 10.5232 10.5232 k = 0.3333 0.5774 0.2483 ( 6942 PWs) bands (ev): -69.2113 -69.2113 -69.2113 -69.2113 -36.1527 -36.1527 -36.1526 -36.1526 -35.8696 -35.8696 -35.8671 -35.8671 -35.8621 -35.8621 -35.8597 -35.8597 -21.1151 -21.1151 -7.9127 -7.9127 -6.0788 -6.0788 -5.9002 -5.9002 -3.1780 -3.1780 -3.1246 -3.1246 3.0637 3.0637 3.0737 3.0737 3.7805 3.7805 4.2954 4.2954 4.8061 4.8061 4.8179 4.8179 8.6213 8.6213 8.6500 8.6500 10.0933 10.0933 10.5006 10.5006 k = 0.3333 0.5774 0.2621 ( 6930 PWs) bands (ev): -69.2113 -69.2113 -69.2113 -69.2113 -36.1527 -36.1527 -36.1526 -36.1526 -35.8696 -35.8696 -35.8671 -35.8671 -35.8621 -35.8621 -35.8597 -35.8597 -21.1151 -21.1151 -7.9127 -7.9127 -6.0787 -6.0787 -5.9002 -5.9002 -3.1783 -3.1783 -3.1250 -3.1250 3.0690 3.0690 3.0773 3.0773 3.8088 3.8088 4.2609 4.2609 4.8004 4.8004 4.8151 4.8151 8.6085 8.6085 8.6386 8.6386 10.1293 10.1293 10.4791 10.4791 k = 0.3333 0.5774 0.2759 ( 6930 PWs) bands (ev): -69.2113 -69.2113 -69.2113 -69.2113 -36.1527 -36.1527 -36.1526 -36.1526 -35.8696 -35.8696 -35.8671 -35.8671 -35.8621 -35.8621 -35.8597 -35.8597 -21.1151 -21.1151 -7.9127 -7.9127 -6.0787 -6.0787 -5.9002 -5.9002 -3.1785 -3.1785 -3.1253 -3.1253 3.0723 3.0723 3.0795 3.0795 3.8282 3.8282 4.2376 4.2376 4.7969 4.7969 4.8134 4.8134 8.6008 8.6008 8.6318 8.6318 10.1540 10.1540 10.4629 10.4629 k = 0.3333 0.5774 0.2897 ( 6936 PWs) bands (ev): -69.2113 -69.2113 -69.2113 -69.2113 -36.1527 -36.1527 -36.1526 -36.1526 -35.8696 -35.8696 -35.8671 -35.8671 -35.8621 -35.8621 -35.8597 -35.8597 -21.1151 -21.1151 -7.9127 -7.9127 -6.0787 -6.0787 -5.9002 -5.9002 -3.1786 -3.1786 -3.1254 -3.1254 3.0734 3.0734 3.0803 3.0803 3.8353 3.8353 4.2293 4.2293 4.7957 4.7957 4.8128 4.8128 8.5982 8.5982 8.6295 8.6295 10.1630 10.1630 10.4568 10.4568 Writing output data file BaxMgAsx2.save init_run : 0.42s CPU 0.58s WALL ( 1 calls) electrons : 145.22s CPU 147.64s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 145.21s CPU 147.63s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.06s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.06s WALL ( 296 calls) cegterg : 135.53s CPU 137.31s WALL ( 538 calls) Called by sum_band: Called by *egterg: h_psi : 77.77s CPU 79.31s WALL ( 8530 calls) s_psi : 2.82s CPU 2.69s WALL ( 8530 calls) g_psi : 0.24s CPU 0.29s WALL ( 7696 calls) cdiaghg : 43.26s CPU 43.89s WALL ( 7992 calls) cegterg:over : 5.97s CPU 6.08s WALL ( 7696 calls) cegterg:upda : 6.90s CPU 6.83s WALL ( 7696 calls) cegterg:last : 3.14s CPU 3.12s WALL ( 1130 calls) cdiaghg:chol : 2.55s CPU 2.51s WALL ( 7992 calls) cdiaghg:inve : 1.40s CPU 1.49s WALL ( 7992 calls) cdiaghg:para : 2.64s CPU 2.52s WALL ( 15984 calls) Called by h_psi: h_psi:vloc : 70.87s CPU 72.23s WALL ( 8530 calls) h_psi:vnl : 6.57s CPU 6.76s WALL ( 8530 calls) add_vuspsi : 2.94s CPU 3.07s WALL ( 8530 calls) General routines calbec : 3.61s CPU 3.67s WALL ( 8530 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 66.05s CPU 67.10s WALL ( 626344 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.20s CPU 0.28s WALL ( 592 calls) Parallel routines fft_scatter : 22.07s CPU 22.79s WALL ( 626367 calls) PWSCF : 2m43.82s CPU 2m56.16s WALL This run was terminated on: 19:46: 2 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=