Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 19:41:39 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: ./BaxCdAsx2.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D 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 89 21 6 6947 791 126 Max 90 22 7 6956 819 131 Sum 3217 757 223 250173 29025 4621 bravais-lattice index = 14 lattice parameter (alat) = 8.5340 a.u. unit-cell volume = 916.9185 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 38.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.534003 celldm(2)= 1.000000 celldm(3)= 1.703499 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 1.703499 ) 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 0.587027 ) 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 Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) As 5.00 74.92160 As( 1.00) Cd 12.00 112.41100 Cd( 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 0.0139768), wk = 0.0033784 k( 118) = ( 0.0000000 0.0000000 0.0279537), wk = 0.0033784 k( 119) = ( 0.0000000 0.0000000 0.0419305), wk = 0.0033784 k( 120) = ( 0.0000000 0.0000000 0.0559074), wk = 0.0033784 k( 121) = ( 0.0000000 0.0000000 0.0698842), wk = 0.0033784 k( 122) = ( 0.0000000 0.0000000 0.0838610), wk = 0.0033784 k( 123) = ( 0.0000000 0.0000000 0.0978379), wk = 0.0033784 k( 124) = ( 0.0000000 0.0000000 0.1118147), wk = 0.0033784 k( 125) = ( 0.0000000 0.0000000 0.1257915), wk = 0.0033784 k( 126) = ( 0.0000000 0.0000000 0.1397684), wk = 0.0033784 k( 127) = ( 0.0000000 0.0000000 0.1537452), wk = 0.0033784 k( 128) = ( 0.0000000 0.0000000 0.1677221), wk = 0.0033784 k( 129) = ( 0.0000000 0.0000000 0.1816989), wk = 0.0033784 k( 130) = ( 0.0000000 0.0000000 0.1956757), wk = 0.0033784 k( 131) = ( 0.0000000 0.0000000 0.2096526), wk = 0.0033784 k( 132) = ( 0.0000000 0.0000000 0.2236294), wk = 0.0033784 k( 133) = ( 0.0000000 0.0000000 0.2376062), wk = 0.0033784 k( 134) = ( 0.0000000 0.0000000 0.2515831), wk = 0.0033784 k( 135) = ( 0.0000000 0.0000000 0.2655599), wk = 0.0033784 k( 136) = ( 0.0000000 0.0000000 0.2795367), wk = 0.0033784 k( 137) = ( 0.0000000 0.0000000 0.2935136), wk = 0.0033784 k( 138) = ( 0.0000000 0.0000000 0.2935136), wk = 0.0033784 k( 139) = ( 0.0121951 0.0070409 0.2935136), wk = 0.0033784 k( 140) = ( 0.0243902 0.0140817 0.2935136), wk = 0.0033784 k( 141) = ( 0.0365854 0.0211226 0.2935136), wk = 0.0033784 k( 142) = ( 0.0487805 0.0281634 0.2935136), wk = 0.0033784 k( 143) = ( 0.0609756 0.0352043 0.2935136), wk = 0.0033784 k( 144) = ( 0.0731707 0.0422451 0.2935136), wk = 0.0033784 k( 145) = ( 0.0853658 0.0492860 0.2935136), wk = 0.0033784 k( 146) = ( 0.0975610 0.0563269 0.2935136), wk = 0.0033784 k( 147) = ( 0.1097561 0.0633677 0.2935136), wk = 0.0033784 k( 148) = ( 0.1219512 0.0704086 0.2935136), wk = 0.0033784 k( 149) = ( 0.1341463 0.0774494 0.2935136), wk = 0.0033784 k( 150) = ( 0.1463415 0.0844903 0.2935136), wk = 0.0033784 k( 151) = ( 0.1585366 0.0915311 0.2935136), wk = 0.0033784 k( 152) = ( 0.1707317 0.0985720 0.2935136), wk = 0.0033784 k( 153) = ( 0.1829268 0.1056129 0.2935136), wk = 0.0033784 k( 154) = ( 0.1951219 0.1126537 0.2935136), wk = 0.0033784 k( 155) = ( 0.2073171 0.1196946 0.2935136), wk = 0.0033784 k( 156) = ( 0.2195122 0.1267354 0.2935136), wk = 0.0033784 k( 157) = ( 0.2317073 0.1337763 0.2935136), wk = 0.0033784 k( 158) = ( 0.2439024 0.1408171 0.2935136), wk = 0.0033784 k( 159) = ( 0.2560976 0.1478580 0.2935136), wk = 0.0033784 k( 160) = ( 0.2682927 0.1548989 0.2935136), wk = 0.0033784 k( 161) = ( 0.2804878 0.1619397 0.2935136), wk = 0.0033784 k( 162) = ( 0.2926829 0.1689806 0.2935136), wk = 0.0033784 k( 163) = ( 0.3048781 0.1760214 0.2935136), wk = 0.0033784 k( 164) = ( 0.3170732 0.1830623 0.2935136), wk = 0.0033784 k( 165) = ( 0.3292683 0.1901031 0.2935136), wk = 0.0033784 k( 166) = ( 0.3414634 0.1971440 0.2935136), wk = 0.0033784 k( 167) = ( 0.3536585 0.2041849 0.2935136), wk = 0.0033784 k( 168) = ( 0.3658537 0.2112257 0.2935136), wk = 0.0033784 k( 169) = ( 0.3780488 0.2182666 0.2935136), wk = 0.0033784 k( 170) = ( 0.3902439 0.2253074 0.2935136), wk = 0.0033784 k( 171) = ( 0.4024390 0.2323483 0.2935136), wk = 0.0033784 k( 172) = ( 0.4146341 0.2393891 0.2935136), wk = 0.0033784 k( 173) = ( 0.4268293 0.2464300 0.2935136), wk = 0.0033784 k( 174) = ( 0.4390244 0.2534708 0.2935136), wk = 0.0033784 k( 175) = ( 0.4512195 0.2605117 0.2935136), wk = 0.0033784 k( 176) = ( 0.4634146 0.2675526 0.2935136), wk = 0.0033784 k( 177) = ( 0.4756098 0.2745934 0.2935136), wk = 0.0033784 k( 178) = ( 0.4878049 0.2816343 0.2935136), wk = 0.0033784 k( 179) = ( 0.5000000 0.2886751 0.2935136), wk = 0.0033784 k( 180) = ( 0.5000000 0.2886751 0.2935136), wk = 0.0033784 k( 181) = ( 0.4930556 0.3007033 0.2935136), wk = 0.0033784 k( 182) = ( 0.4861111 0.3127314 0.2935136), wk = 0.0033784 k( 183) = ( 0.4791667 0.3247595 0.2935136), wk = 0.0033784 k( 184) = ( 0.4722222 0.3367877 0.2935136), wk = 0.0033784 k( 185) = ( 0.4652778 0.3488158 0.2935136), wk = 0.0033784 k( 186) = ( 0.4583333 0.3608439 0.2935136), wk = 0.0033784 k( 187) = ( 0.4513889 0.3728720 0.2935136), wk = 0.0033784 k( 188) = ( 0.4444444 0.3849002 0.2935136), wk = 0.0033784 k( 189) = ( 0.4375000 0.3969283 0.2935136), wk = 0.0033784 k( 190) = ( 0.4305556 0.4089564 0.2935136), wk = 0.0033784 k( 191) = ( 0.4236111 0.4209846 0.2935136), wk = 0.0033784 k( 192) = ( 0.4166667 0.4330127 0.2935136), wk = 0.0033784 k( 193) = ( 0.4097222 0.4450408 0.2935136), wk = 0.0033784 k( 194) = ( 0.4027778 0.4570690 0.2935136), wk = 0.0033784 k( 195) = ( 0.3958333 0.4690971 0.2935136), wk = 0.0033784 k( 196) = ( 0.3888889 0.4811252 0.2935136), wk = 0.0033784 k( 197) = ( 0.3819444 0.4931534 0.2935136), wk = 0.0033784 k( 198) = ( 0.3750000 0.5051815 0.2935136), wk = 0.0033784 k( 199) = ( 0.3680556 0.5172096 0.2935136), wk = 0.0033784 k( 200) = ( 0.3611111 0.5292377 0.2935136), wk = 0.0033784 k( 201) = ( 0.3541667 0.5412659 0.2935136), wk = 0.0033784 k( 202) = ( 0.3472222 0.5532940 0.2935136), wk = 0.0033784 k( 203) = ( 0.3402778 0.5653221 0.2935136), wk = 0.0033784 k( 204) = ( 0.3333333 0.5773503 0.2935136), wk = 0.0033784 k( 205) = ( 0.3333333 0.5773503 0.2935136), wk = 0.0033784 k( 206) = ( 0.3262411 0.5650662 0.2935136), wk = 0.0033784 k( 207) = ( 0.3191489 0.5527822 0.2935136), wk = 0.0033784 k( 208) = ( 0.3120567 0.5404981 0.2935136), wk = 0.0033784 k( 209) = ( 0.3049645 0.5282141 0.2935136), wk = 0.0033784 k( 210) = ( 0.2978723 0.5159300 0.2935136), wk = 0.0033784 k( 211) = ( 0.2907801 0.5036460 0.2935136), wk = 0.0033784 k( 212) = ( 0.2836879 0.4913619 0.2935136), wk = 0.0033784 k( 213) = ( 0.2765957 0.4790779 0.2935136), wk = 0.0033784 k( 214) = ( 0.2695035 0.4667938 0.2935136), wk = 0.0033784 k( 215) = ( 0.2624113 0.4545098 0.2935136), wk = 0.0033784 k( 216) = ( 0.2553191 0.4422257 0.2935136), wk = 0.0033784 k( 217) = ( 0.2482270 0.4299417 0.2935136), wk = 0.0033784 k( 218) = ( 0.2411348 0.4176576 0.2935136), wk = 0.0033784 k( 219) = ( 0.2340425 0.4053736 0.2935136), wk = 0.0033784 k( 220) = ( 0.2269503 0.3930895 0.2935136), wk = 0.0033784 k( 221) = ( 0.2198582 0.3808055 0.2935136), wk = 0.0033784 k( 222) = ( 0.2127660 0.3685215 0.2935136), wk = 0.0033784 k( 223) = ( 0.2056738 0.3562374 0.2935136), wk = 0.0033784 k( 224) = ( 0.1985816 0.3439534 0.2935136), wk = 0.0033784 k( 225) = ( 0.1914894 0.3316693 0.2935136), wk = 0.0033784 k( 226) = ( 0.1843972 0.3193852 0.2935136), wk = 0.0033784 k( 227) = ( 0.1773050 0.3071012 0.2935136), wk = 0.0033784 k( 228) = ( 0.1702128 0.2948172 0.2935136), wk = 0.0033784 k( 229) = ( 0.1631206 0.2825331 0.2935136), wk = 0.0033784 k( 230) = ( 0.1560284 0.2702491 0.2935136), wk = 0.0033784 k( 231) = ( 0.1489362 0.2579650 0.2935136), wk = 0.0033784 k( 232) = ( 0.1418440 0.2456810 0.2935136), wk = 0.0033784 k( 233) = ( 0.1347518 0.2333969 0.2935136), wk = 0.0033784 k( 234) = ( 0.1276596 0.2211129 0.2935136), wk = 0.0033784 k( 235) = ( 0.1205674 0.2088288 0.2935136), wk = 0.0033784 k( 236) = ( 0.1134752 0.1965448 0.2935136), wk = 0.0033784 k( 237) = ( 0.1063830 0.1842607 0.2935136), wk = 0.0033784 k( 238) = ( 0.0992908 0.1719767 0.2935136), wk = 0.0033784 k( 239) = ( 0.0921986 0.1596926 0.2935136), wk = 0.0033784 k( 240) = ( 0.0851064 0.1474086 0.2935136), wk = 0.0033784 k( 241) = ( 0.0780142 0.1351245 0.2935136), wk = 0.0033784 k( 242) = ( 0.0709220 0.1228405 0.2935136), wk = 0.0033784 k( 243) = ( 0.0638298 0.1105564 0.2935136), wk = 0.0033784 k( 244) = ( 0.0567376 0.0982724 0.2935136), wk = 0.0033784 k( 245) = ( 0.0496454 0.0859883 0.2935136), wk = 0.0033784 k( 246) = ( 0.0425532 0.0737043 0.2935136), wk = 0.0033784 k( 247) = ( 0.0354610 0.0614202 0.2935136), wk = 0.0033784 k( 248) = ( 0.0283688 0.0491362 0.2935136), wk = 0.0033784 k( 249) = ( 0.0212766 0.0368522 0.2935136), wk = 0.0033784 k( 250) = ( 0.0141844 0.0245681 0.2935136), wk = 0.0033784 k( 251) = ( 0.0070922 0.0122841 0.2935136), wk = 0.0033784 k( 252) = ( 0.0000000 0.0000000 0.2935136), wk = 0.0033784 k( 253) = ( 0.5000000 0.2886751 0.2935136), wk = 0.0033784 k( 254) = ( 0.5000000 0.2886751 0.2795367), wk = 0.0033784 k( 255) = ( 0.5000000 0.2886751 0.2655599), wk = 0.0033784 k( 256) = ( 0.5000000 0.2886751 0.2515831), wk = 0.0033784 k( 257) = ( 0.5000000 0.2886751 0.2376062), wk = 0.0033784 k( 258) = ( 0.5000000 0.2886751 0.2236294), wk = 0.0033784 k( 259) = ( 0.5000000 0.2886751 0.2096526), wk = 0.0033784 k( 260) = ( 0.5000000 0.2886751 0.1956757), wk = 0.0033784 k( 261) = ( 0.5000000 0.2886751 0.1816989), wk = 0.0033784 k( 262) = ( 0.5000000 0.2886751 0.1677221), wk = 0.0033784 k( 263) = ( 0.5000000 0.2886751 0.1537452), wk = 0.0033784 k( 264) = ( 0.5000000 0.2886751 0.1397684), wk = 0.0033784 k( 265) = ( 0.5000000 0.2886751 0.1257915), wk = 0.0033784 k( 266) = ( 0.5000000 0.2886751 0.1118147), wk = 0.0033784 k( 267) = ( 0.5000000 0.2886751 0.0978379), wk = 0.0033784 k( 268) = ( 0.5000000 0.2886751 0.0838610), wk = 0.0033784 k( 269) = ( 0.5000000 0.2886751 0.0698842), wk = 0.0033784 k( 270) = ( 0.5000000 0.2886751 0.0559074), wk = 0.0033784 k( 271) = ( 0.5000000 0.2886751 0.0419305), wk = 0.0033784 k( 272) = ( 0.5000000 0.2886751 0.0279537), wk = 0.0033784 k( 273) = ( 0.5000000 0.2886751 0.0139768), 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 0.0139768), wk = 0.0033784 k( 277) = ( 0.3333333 0.5773503 0.0279537), wk = 0.0033784 k( 278) = ( 0.3333333 0.5773503 0.0419305), wk = 0.0033784 k( 279) = ( 0.3333333 0.5773503 0.0559074), wk = 0.0033784 k( 280) = ( 0.3333333 0.5773503 0.0698842), wk = 0.0033784 k( 281) = ( 0.3333333 0.5773503 0.0838610), wk = 0.0033784 k( 282) = ( 0.3333333 0.5773503 0.0978379), wk = 0.0033784 k( 283) = ( 0.3333333 0.5773503 0.1118147), wk = 0.0033784 k( 284) = ( 0.3333333 0.5773503 0.1257915), wk = 0.0033784 k( 285) = ( 0.3333333 0.5773503 0.1397684), wk = 0.0033784 k( 286) = ( 0.3333333 0.5773503 0.1537452), wk = 0.0033784 k( 287) = ( 0.3333333 0.5773503 0.1677221), wk = 0.0033784 k( 288) = ( 0.3333333 0.5773503 0.1816989), wk = 0.0033784 k( 289) = ( 0.3333333 0.5773503 0.1956757), wk = 0.0033784 k( 290) = ( 0.3333333 0.5773503 0.2096526), wk = 0.0033784 k( 291) = ( 0.3333333 0.5773503 0.2236294), wk = 0.0033784 k( 292) = ( 0.3333333 0.5773503 0.2376062), wk = 0.0033784 k( 293) = ( 0.3333333 0.5773503 0.2515831), wk = 0.0033784 k( 294) = ( 0.3333333 0.5773503 0.2655599), wk = 0.0033784 k( 295) = ( 0.3333333 0.5773503 0.2795367), wk = 0.0033784 k( 296) = ( 0.3333333 0.5773503 0.2935136), 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 0.2482270 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 0.2482270 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 0.4523810), 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: 250173 G-vectors FFT dimensions: ( 72, 72, 120) Smooth grid: 29025 G-vectors FFT dimensions: ( 36, 36, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.18 Mb ( 222, 52) NL pseudopotentials 0.22 Mb ( 111, 131) Each V/rho on FFT grid 0.32 Mb ( 20736) Each G-vector array 0.05 Mb ( 6952) G-vector shells 0.03 Mb ( 3281) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.70 Mb ( 222, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.21 Mb ( 131, 2, 52) The potential is recalculated from file : ./BaxCdAsx2.save/charge-density.dat Starting wfc are 62 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.9 secs Computing kpt #: 2 total cpu time spent up to now is 4.7 secs Computing kpt #: 3 total cpu time spent up to now is 5.4 secs Computing kpt #: 4 total cpu time spent up to now is 6.2 secs Computing kpt #: 5 total cpu time spent up to now is 7.1 secs Computing kpt #: 6 total cpu time spent up to now is 8.0 secs Computing kpt #: 7 total cpu time spent up to now is 8.9 secs Computing kpt #: 8 total cpu time spent up to now is 10.2 secs Computing kpt #: 9 total cpu time spent up to now is 11.1 secs Computing kpt #: 10 total cpu time spent up to now is 12.4 secs Computing kpt #: 11 total cpu time spent up to now is 13.1 secs Computing kpt #: 12 total cpu time spent up to now is 13.9 secs Computing kpt #: 13 total cpu time spent up to now is 14.6 secs Computing kpt #: 14 total cpu time spent up to now is 15.3 secs Computing kpt #: 15 total cpu time spent up to now is 15.9 secs Computing kpt #: 16 total cpu time spent up to now is 16.6 secs Computing kpt #: 17 total cpu time spent up to now is 17.3 secs Computing kpt #: 18 total cpu time spent up to now is 18.1 secs Computing kpt #: 19 total cpu time spent up to now is 18.8 secs Computing kpt #: 20 total cpu time spent up to now is 19.5 secs Computing kpt #: 21 total cpu time spent up to now is 20.3 secs Computing kpt #: 22 total cpu time spent up to now is 21.1 secs Computing kpt #: 23 total cpu time spent up to now is 21.9 secs Computing kpt #: 24 total cpu time spent up to now is 22.8 secs Computing kpt #: 25 total cpu time spent up to now is 23.5 secs Computing kpt #: 26 total cpu time spent up to now is 24.2 secs Computing kpt #: 27 total cpu time spent up to now is 24.9 secs Computing kpt #: 28 total cpu time spent up to now is 25.5 secs Computing kpt #: 29 total cpu time spent up to now is 26.1 secs Computing kpt #: 30 total cpu time spent up to now is 26.6 secs Computing kpt #: 31 total cpu time spent up to now is 27.1 secs Computing kpt #: 32 total cpu time spent up to now is 27.7 secs Computing kpt #: 33 total cpu time spent up to now is 28.2 secs Computing kpt #: 34 total cpu time spent up to now is 28.7 secs Computing kpt #: 35 total cpu time spent up to now is 29.1 secs Computing kpt #: 36 total cpu time spent up to now is 29.7 secs Computing kpt #: 37 total cpu time spent up to now is 30.1 secs Computing kpt #: 38 total cpu time spent up to now is 30.6 secs Computing kpt #: 39 total cpu time spent up to now is 31.1 secs Computing kpt #: 40 total cpu time spent up to now is 31.6 secs Computing kpt #: 41 total cpu time spent up to now is 32.1 secs Computing kpt #: 42 total cpu time spent up to now is 32.7 secs Computing kpt #: 43 total cpu time spent up to now is 33.2 secs Computing kpt #: 44 total cpu time spent up to now is 33.6 secs Computing kpt #: 45 total cpu time spent up to now is 34.2 secs Computing kpt #: 46 total cpu time spent up to now is 34.8 secs Computing kpt #: 47 total cpu time spent up to now is 35.4 secs Computing kpt #: 48 total cpu time spent up to now is 36.0 secs Computing kpt #: 49 total cpu time spent up to now is 36.6 secs Computing kpt #: 50 total cpu time spent up to now is 37.2 secs Computing kpt #: 51 total cpu time spent up to now is 37.9 secs Computing kpt #: 52 total cpu time spent up to now is 38.6 secs Computing kpt #: 53 total cpu time spent up to now is 39.4 secs Computing kpt #: 54 total cpu time spent up to now is 40.2 secs Computing kpt #: 55 total cpu time spent up to now is 40.9 secs Computing kpt #: 56 total cpu time spent up to now is 41.6 secs Computing kpt #: 57 total cpu time spent up to now is 42.2 secs Computing kpt #: 58 total cpu time spent up to now is 42.7 secs Computing kpt #: 59 total cpu time spent up to now is 43.3 secs Computing kpt #: 60 total cpu time spent up to now is 43.8 secs Computing kpt #: 61 total cpu time spent up to now is 44.3 secs Computing kpt #: 62 total cpu time spent up to now is 44.8 secs Computing kpt #: 63 total cpu time spent up to now is 45.3 secs Computing kpt #: 64 total cpu time spent up to now is 45.8 secs Computing kpt #: 65 total cpu time spent up to now is 46.4 secs Computing kpt #: 66 total cpu time spent up to now is 46.9 secs Computing kpt #: 67 total cpu time spent up to now is 47.4 secs Computing kpt #: 68 total cpu time spent up to now is 47.9 secs Computing kpt #: 69 total cpu time spent up to now is 48.4 secs Computing kpt #: 70 total cpu time spent up to now is 48.9 secs Computing kpt #: 71 total cpu time spent up to now is 49.5 secs Computing kpt #: 72 total cpu time spent up to now is 50.0 secs Computing kpt #: 73 total cpu time spent up to now is 50.5 secs Computing kpt #: 74 total cpu time spent up to now is 51.0 secs Computing kpt #: 75 total cpu time spent up to now is 51.4 secs Computing kpt #: 76 total cpu time spent up to now is 51.9 secs Computing kpt #: 77 total cpu time spent up to now is 52.3 secs Computing kpt #: 78 total cpu time spent up to now is 52.8 secs Computing kpt #: 79 total cpu time spent up to now is 53.2 secs Computing kpt #: 80 total cpu time spent up to now is 53.6 secs Computing kpt #: 81 total cpu time spent up to now is 54.1 secs Computing kpt #: 82 total cpu time spent up to now is 54.5 secs Computing kpt #: 83 total cpu time spent up to now is 55.0 secs Computing kpt #: 84 total cpu time spent up to now is 55.5 secs Computing kpt #: 85 total cpu time spent up to now is 56.0 secs Computing kpt #: 86 total cpu time spent up to now is 56.5 secs Computing kpt #: 87 total cpu time spent up to now is 57.0 secs Computing kpt #: 88 total cpu time spent up to now is 57.5 secs Computing kpt #: 89 total cpu time spent up to now is 58.0 secs Computing kpt #: 90 total cpu time spent up to now is 58.6 secs Computing kpt #: 91 total cpu time spent up to now is 59.1 secs Computing kpt #: 92 total cpu time spent up to now is 59.7 secs Computing kpt #: 93 total cpu time spent up to now is 60.3 secs Computing kpt #: 94 total cpu time spent up to now is 60.9 secs Computing kpt #: 95 total cpu time spent up to now is 61.5 secs Computing kpt #: 96 total cpu time spent up to now is 62.2 secs Computing kpt #: 97 total cpu time spent up to now is 62.8 secs Computing kpt #: 98 total cpu time spent up to now is 63.4 secs Computing kpt #: 99 total cpu time spent up to now is 64.1 secs Computing kpt #: 100 total cpu time spent up to now is 64.8 secs Computing kpt #: 101 total cpu time spent up to now is 65.4 secs Computing kpt #: 102 total cpu time spent up to now is 66.1 secs Computing kpt #: 103 total cpu time spent up to now is 66.9 secs Computing kpt #: 104 total cpu time spent up to now is 67.6 secs Computing kpt #: 105 total cpu time spent up to now is 68.3 secs Computing kpt #: 106 total cpu time spent up to now is 69.2 secs Computing kpt #: 107 total cpu time spent up to now is 70.1 secs Computing kpt #: 108 total cpu time spent up to now is 71.0 secs Computing kpt #: 109 total cpu time spent up to now is 71.9 secs Computing kpt #: 110 total cpu time spent up to now is 72.7 secs Computing kpt #: 111 total cpu time spent up to now is 73.5 secs Computing kpt #: 112 total cpu time spent up to now is 74.3 secs Computing kpt #: 113 total cpu time spent up to now is 75.0 secs Computing kpt #: 114 total cpu time spent up to now is 75.8 secs Computing kpt #: 115 total cpu time spent up to now is 76.5 secs Computing kpt #: 116 total cpu time spent up to now is 77.2 secs Computing kpt #: 117 total cpu time spent up to now is 77.8 secs Computing kpt #: 118 total cpu time spent up to now is 78.6 secs Computing kpt #: 119 total cpu time spent up to now is 79.3 secs Computing kpt #: 120 total cpu time spent up to now is 80.0 secs Computing kpt #: 121 total cpu time spent up to now is 80.8 secs Computing kpt #: 122 total cpu time spent up to now is 81.5 secs Computing kpt #: 123 total cpu time spent up to now is 82.2 secs Computing kpt #: 124 total cpu time spent up to now is 83.1 secs Computing kpt #: 125 total cpu time spent up to now is 83.8 secs Computing kpt #: 126 total cpu time spent up to now is 84.6 secs Computing kpt #: 127 total cpu time spent up to now is 85.5 secs Computing kpt #: 128 total cpu time spent up to now is 86.3 secs Computing kpt #: 129 total cpu time spent up to now is 87.0 secs Computing kpt #: 130 total cpu time spent up to now is 87.7 secs Computing kpt #: 131 total cpu time spent up to now is 88.6 secs Computing kpt #: 132 total cpu time spent up to now is 89.4 secs Computing kpt #: 133 total cpu time spent up to now is 90.0 secs Computing kpt #: 134 total cpu time spent up to now is 90.7 secs Computing kpt #: 135 total cpu time spent up to now is 91.3 secs Computing kpt #: 136 total cpu time spent up to now is 91.9 secs Computing kpt #: 137 total cpu time spent up to now is 92.5 secs Computing kpt #: 138 total cpu time spent up to now is 93.1 secs Computing kpt #: 139 total cpu time spent up to now is 93.7 secs Computing kpt #: 140 total cpu time spent up to now is 94.4 secs Computing kpt #: 141 total cpu time spent up to now is 95.1 secs Computing kpt #: 142 total cpu time spent up to now is 95.8 secs Computing kpt #: 143 total cpu time spent up to now is 96.5 secs Computing kpt #: 144 total cpu time spent up to now is 97.2 secs Computing kpt #: 145 total cpu time spent up to now is 98.0 secs Computing kpt #: 146 total cpu time spent up to now is 98.7 secs Computing kpt #: 147 total cpu time spent up to now is 99.5 secs Computing kpt #: 148 total cpu time spent up to now is 100.4 secs Computing kpt #: 149 total cpu time spent up to now is 101.3 secs Computing kpt #: 150 total cpu time spent up to now is 102.1 secs Computing kpt #: 151 total cpu time spent up to now is 102.8 secs Computing kpt #: 152 total cpu time spent up to now is 103.5 secs Computing kpt #: 153 total cpu time spent up to now is 104.1 secs Computing kpt #: 154 total cpu time spent up to now is 104.6 secs Computing kpt #: 155 total cpu time spent up to now is 105.1 secs Computing kpt #: 156 total cpu time spent up to now is 105.6 secs Computing kpt #: 157 total cpu time spent up to now is 106.1 secs Computing kpt #: 158 total cpu time spent up to now is 106.6 secs Computing kpt #: 159 total cpu time spent up to now is 107.0 secs Computing kpt #: 160 total cpu time spent up to now is 107.5 secs Computing kpt #: 161 total cpu time spent up to now is 107.9 secs Computing kpt #: 162 total cpu time spent up to now is 108.3 secs Computing kpt #: 163 total cpu time spent up to now is 108.7 secs Computing kpt #: 164 total cpu time spent up to now is 109.2 secs Computing kpt #: 165 total cpu time spent up to now is 109.6 secs Computing kpt #: 166 total cpu time spent up to now is 110.0 secs Computing kpt #: 167 total cpu time spent up to now is 110.4 secs Computing kpt #: 168 total cpu time spent up to now is 110.8 secs Computing kpt #: 169 total cpu time spent up to now is 111.3 secs Computing kpt #: 170 total cpu time spent up to now is 111.7 secs Computing kpt #: 171 total cpu time spent up to now is 112.1 secs Computing kpt #: 172 total cpu time spent up to now is 112.5 secs Computing kpt #: 173 total cpu time spent up to now is 113.0 secs Computing kpt #: 174 total cpu time spent up to now is 113.4 secs Computing kpt #: 175 total cpu time spent up to now is 113.8 secs Computing kpt #: 176 total cpu time spent up to now is 114.2 secs Computing kpt #: 177 total cpu time spent up to now is 114.7 secs Computing kpt #: 178 total cpu time spent up to now is 115.1 secs Computing kpt #: 179 total cpu time spent up to now is 115.5 secs Computing kpt #: 180 total cpu time spent up to now is 116.0 secs Computing kpt #: 181 total cpu time spent up to now is 116.4 secs Computing kpt #: 182 total cpu time spent up to now is 116.8 secs Computing kpt #: 183 total cpu time spent up to now is 117.2 secs Computing kpt #: 184 total cpu time spent up to now is 117.7 secs Computing kpt #: 185 total cpu time spent up to now is 118.1 secs Computing kpt #: 186 total cpu time spent up to now is 118.5 secs Computing kpt #: 187 total cpu time spent up to now is 119.0 secs Computing kpt #: 188 total cpu time spent up to now is 119.4 secs Computing kpt #: 189 total cpu time spent up to now is 119.8 secs Computing kpt #: 190 total cpu time spent up to now is 120.3 secs Computing kpt #: 191 total cpu time spent up to now is 120.7 secs Computing kpt #: 192 total cpu time spent up to now is 121.1 secs Computing kpt #: 193 total cpu time spent up to now is 121.6 secs Computing kpt #: 194 total cpu time spent up to now is 122.0 secs Computing kpt #: 195 total cpu time spent up to now is 122.4 secs Computing kpt #: 196 total cpu time spent up to now is 122.9 secs Computing kpt #: 197 total cpu time spent up to now is 123.4 secs Computing kpt #: 198 total cpu time spent up to now is 124.0 secs Computing kpt #: 199 total cpu time spent up to now is 124.5 secs Computing kpt #: 200 total cpu time spent up to now is 125.1 secs Computing kpt #: 201 total cpu time spent up to now is 125.8 secs Computing kpt #: 202 total cpu time spent up to now is 126.3 secs Computing kpt #: 203 total cpu time spent up to now is 127.1 secs Computing kpt #: 204 total cpu time spent up to now is 127.6 secs Computing kpt #: 205 total cpu time spent up to now is 128.7 secs Computing kpt #: 206 total cpu time spent up to now is 129.3 secs Computing kpt #: 207 total cpu time spent up to now is 129.9 secs Computing kpt #: 208 total cpu time spent up to now is 130.5 secs Computing kpt #: 209 total cpu time spent up to now is 131.0 secs Computing kpt #: 210 total cpu time spent up to now is 131.6 secs Computing kpt #: 211 total cpu time spent up to now is 132.1 secs Computing kpt #: 212 total cpu time spent up to now is 132.7 secs Computing kpt #: 213 total cpu time spent up to now is 133.2 secs Computing kpt #: 214 total cpu time spent up to now is 133.7 secs Computing kpt #: 215 total cpu time spent up to now is 134.3 secs Computing kpt #: 216 total cpu time spent up to now is 135.0 secs Computing kpt #: 217 total cpu time spent up to now is 135.7 secs Computing kpt #: 218 total cpu time spent up to now is 136.3 secs Computing kpt #: 219 total cpu time spent up to now is 136.9 secs Computing kpt #: 220 total cpu time spent up to now is 137.4 secs Computing kpt #: 221 total cpu time spent up to now is 137.9 secs Computing kpt #: 222 total cpu time spent up to now is 138.4 secs Computing kpt #: 223 total cpu time spent up to now is 138.9 secs Computing kpt #: 224 total cpu time spent up to now is 139.5 secs Computing kpt #: 225 total cpu time spent up to now is 140.0 secs Computing kpt #: 226 total cpu time spent up to now is 140.5 secs Computing kpt #: 227 total cpu time spent up to now is 141.0 secs Computing kpt #: 228 total cpu time spent up to now is 141.5 secs Computing kpt #: 229 total cpu time spent up to now is 142.1 secs Computing kpt #: 230 total cpu time spent up to now is 142.7 secs Computing kpt #: 231 total cpu time spent up to now is 143.3 secs Computing kpt #: 232 total cpu time spent up to now is 143.8 secs Computing kpt #: 233 total cpu time spent up to now is 144.5 secs Computing kpt #: 234 total cpu time spent up to now is 145.1 secs Computing kpt #: 235 total cpu time spent up to now is 145.8 secs Computing kpt #: 236 total cpu time spent up to now is 146.5 secs Computing kpt #: 237 total cpu time spent up to now is 147.4 secs Computing kpt #: 238 total cpu time spent up to now is 147.9 secs Computing kpt #: 239 total cpu time spent up to now is 148.8 secs Computing kpt #: 240 total cpu time spent up to now is 149.7 secs Computing kpt #: 241 total cpu time spent up to now is 150.6 secs Computing kpt #: 242 total cpu time spent up to now is 151.7 secs Computing kpt #: 243 total cpu time spent up to now is 152.6 secs Computing kpt #: 244 total cpu time spent up to now is 153.3 secs Computing kpt #: 245 total cpu time spent up to now is 154.1 secs Computing kpt #: 246 total cpu time spent up to now is 154.8 secs Computing kpt #: 247 total cpu time spent up to now is 155.5 secs Computing kpt #: 248 total cpu time spent up to now is 156.2 secs Computing kpt #: 249 total cpu time spent up to now is 156.9 secs Computing kpt #: 250 total cpu time spent up to now is 157.5 secs Computing kpt #: 251 total cpu time spent up to now is 158.1 secs Computing kpt #: 252 total cpu time spent up to now is 158.7 secs Computing kpt #: 253 total cpu time spent up to now is 159.1 secs Computing kpt #: 254 total cpu time spent up to now is 159.5 secs Computing kpt #: 255 total cpu time spent up to now is 160.0 secs Computing kpt #: 256 total cpu time spent up to now is 160.4 secs Computing kpt #: 257 total cpu time spent up to now is 160.8 secs Computing kpt #: 258 total cpu time spent up to now is 161.3 secs Computing kpt #: 259 total cpu time spent up to now is 161.7 secs Computing kpt #: 260 total cpu time spent up to now is 162.1 secs Computing kpt #: 261 total cpu time spent up to now is 162.5 secs Computing kpt #: 262 total cpu time spent up to now is 163.0 secs Computing kpt #: 263 total cpu time spent up to now is 163.4 secs Computing kpt #: 264 total cpu time spent up to now is 163.8 secs Computing kpt #: 265 total cpu time spent up to now is 164.3 secs Computing kpt #: 266 total cpu time spent up to now is 164.7 secs Computing kpt #: 267 total cpu time spent up to now is 165.1 secs Computing kpt #: 268 total cpu time spent up to now is 165.5 secs Computing kpt #: 269 total cpu time spent up to now is 166.0 secs Computing kpt #: 270 total cpu time spent up to now is 166.4 secs Computing kpt #: 271 total cpu time spent up to now is 166.9 secs Computing kpt #: 272 total cpu time spent up to now is 167.3 secs Computing kpt #: 273 total cpu time spent up to now is 167.8 secs Computing kpt #: 274 total cpu time spent up to now is 168.4 secs Computing kpt #: 275 total cpu time spent up to now is 168.9 secs Computing kpt #: 276 total cpu time spent up to now is 169.4 secs Computing kpt #: 277 total cpu time spent up to now is 169.9 secs Computing kpt #: 278 total cpu time spent up to now is 170.4 secs Computing kpt #: 279 total cpu time spent up to now is 170.9 secs Computing kpt #: 280 total cpu time spent up to now is 171.4 secs Computing kpt #: 281 total cpu time spent up to now is 172.0 secs Computing kpt #: 282 total cpu time spent up to now is 172.5 secs Computing kpt #: 283 total cpu time spent up to now is 173.0 secs Computing kpt #: 284 total cpu time spent up to now is 173.5 secs Computing kpt #: 285 total cpu time spent up to now is 174.0 secs Computing kpt #: 286 total cpu time spent up to now is 174.8 secs Computing kpt #: 287 total cpu time spent up to now is 175.3 secs Computing kpt #: 288 total cpu time spent up to now is 175.8 secs Computing kpt #: 289 total cpu time spent up to now is 176.4 secs Computing kpt #: 290 total cpu time spent up to now is 176.9 secs Computing kpt #: 291 total cpu time spent up to now is 177.5 secs Computing kpt #: 292 total cpu time spent up to now is 178.2 secs Computing kpt #: 293 total cpu time spent up to now is 178.9 secs Computing kpt #: 294 total cpu time spent up to now is 179.7 secs Computing kpt #: 295 total cpu time spent up to now is 180.4 secs Computing kpt #: 296 total cpu time spent up to now is 181.2 secs ethr = 2.27E-08, avg # of iterations = 32.3 total cpu time spent up to now is 181.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3671 PWs) bands (ev): -19.3930 -19.3930 -6.0794 -6.0794 -4.3294 -4.3294 -3.9090 -3.9090 -2.7936 -2.7936 -2.0525 -2.0525 -0.7718 -0.7718 -0.7664 -0.7664 -0.6935 -0.6935 -0.5042 -0.5042 -0.0907 -0.0907 -0.0352 -0.0352 0.0008 0.0008 0.1326 0.1326 0.2046 0.2046 0.3720 0.3720 3.8405 3.8405 6.9846 6.9846 7.1249 7.1249 7.9938 7.9938 8.2588 8.2588 8.3625 8.3625 8.5456 8.5456 8.8013 8.8013 10.1812 10.1812 10.9017 10.9017 k = 0.0122 0.0070-0.0000 ( 3665 PWs) bands (ev): -19.3930 -19.3930 -6.0795 -6.0795 -4.3294 -4.3294 -3.9098 -3.9098 -2.7923 -2.7923 -2.0528 -2.0528 -0.7716 -0.7716 -0.7661 -0.7661 -0.6935 -0.6935 -0.5041 -0.5041 -0.0906 -0.0906 -0.0356 -0.0356 0.0012 0.0012 0.1329 0.1329 0.2044 0.2044 0.3722 0.3722 3.8421 3.8421 6.9784 6.9784 7.1182 7.1182 7.9886 7.9886 8.2415 8.2415 8.3321 8.3321 8.5937 8.5937 8.8066 8.8066 10.1852 10.1852 10.9082 10.9082 k = 0.0244 0.0141-0.0000 ( 3659 PWs) bands (ev): -19.3928 -19.3928 -6.0797 -6.0797 -4.3293 -4.3293 -3.9124 -3.9124 -2.7884 -2.7884 -2.0537 -2.0537 -0.7711 -0.7711 -0.7655 -0.7655 -0.6934 -0.6934 -0.5040 -0.5040 -0.0903 -0.0903 -0.0367 -0.0367 0.0021 0.0021 0.1336 0.1336 0.2038 0.2038 0.3728 0.3728 3.8470 3.8470 6.9578 6.9578 7.1014 7.1014 7.9660 7.9660 8.1872 8.1872 8.3022 8.3022 8.6838 8.6838 8.8236 8.8236 10.1970 10.1970 10.9273 10.9273 k = 0.0366 0.0211-0.0000 ( 3659 PWs) bands (ev): -19.3926 -19.3926 -6.0802 -6.0802 -4.3292 -4.3292 -3.9166 -3.9166 -2.7819 -2.7819 -2.0551 -2.0551 -0.7703 -0.7703 -0.7644 -0.7644 -0.6933 -0.6933 -0.5037 -0.5037 -0.0898 -0.0898 -0.0384 -0.0384 0.0035 0.0035 0.1347 0.1347 0.2029 0.2029 0.3738 0.3738 3.8551 3.8551 6.9188 6.9188 7.0817 7.0817 7.9098 7.9098 8.1315 8.1315 8.2852 8.2852 8.7762 8.7762 8.8582 8.8582 10.2162 10.2162 10.9580 10.9580 k = 0.0488 0.0282-0.0000 ( 3663 PWs) bands (ev): -19.3923 -19.3923 -6.0809 -6.0809 -4.3291 -4.3291 -3.9224 -3.9224 -2.7730 -2.7730 -2.0572 -2.0572 -0.7693 -0.7693 -0.7629 -0.7629 -0.6931 -0.6931 -0.5033 -0.5033 -0.0892 -0.0892 -0.0404 -0.0404 0.0051 0.0051 0.1363 0.1363 0.2016 0.2016 0.3752 0.3752 3.8663 3.8663 6.8606 6.8606 7.0643 7.0643 7.8167 7.8167 8.0947 8.0947 8.2679 8.2679 8.8509 8.8509 8.9236 8.9236 10.2420 10.2420 10.9987 10.9987 k = 0.0610 0.0352-0.0000 ( 3653 PWs) bands (ev): -19.3919 -19.3919 -6.0818 -6.0818 -4.3290 -4.3290 -3.9296 -3.9296 -2.7618 -2.7618 -2.0598 -2.0598 -0.7679 -0.7679 -0.7609 -0.7609 -0.6929 -0.6929 -0.5027 -0.5027 -0.0884 -0.0884 -0.0425 -0.0425 0.0069 0.0069 0.1381 0.1381 0.2000 0.2000 0.3770 0.3770 3.8807 3.8807 6.7864 6.7864 7.0494 7.0494 7.7024 7.7024 8.0658 8.0658 8.2458 8.2458 8.9116 8.9116 9.0139 9.0139 10.2736 10.2736 11.0476 11.0476 k = 0.0732 0.0422-0.0000 ( 3653 PWs) bands (ev): -19.3915 -19.3915 -6.0828 -6.0828 -4.3289 -4.3289 -3.9381 -3.9381 -2.7484 -2.7484 -2.0629 -2.0629 -0.7662 -0.7662 -0.7585 -0.7585 -0.6927 -0.6927 -0.5020 -0.5020 -0.0874 -0.0874 -0.0447 -0.0447 0.0086 0.0086 0.1403 0.1403 0.1980 0.1980 0.3793 0.3793 3.8979 3.8979 6.7008 6.7008 7.0359 7.0359 7.5785 7.5785 8.0356 8.0356 8.2175 8.2175 8.9747 8.9747 9.1104 9.1104 10.3100 10.3100 11.1033 11.1033 k = 0.0854 0.0493-0.0000 ( 3651 PWs) bands (ev): -19.3910 -19.3910 -6.0841 -6.0841 -4.3288 -4.3288 -3.9477 -3.9477 -2.7330 -2.7330 -2.0666 -2.0666 -0.7642 -0.7642 -0.7556 -0.7556 -0.6923 -0.6923 -0.5012 -0.5012 -0.0862 -0.0862 -0.0467 -0.0467 0.0102 0.0102 0.1426 0.1426 0.1959 0.1959 0.3820 0.3820 3.9180 3.9180 6.6072 6.6072 7.0224 7.0224 7.4504 7.4504 8.0011 8.0011 8.1829 8.1829 9.0432 9.0432 9.2072 9.2072 10.3504 10.3504 11.1644 11.1644 k = 0.0976 0.0563-0.0000 ( 3649 PWs) bands (ev): -19.3904 -19.3904 -6.0856 -6.0856 -4.3287 -4.3287 -3.9582 -3.9582 -2.7159 -2.7159 -2.0708 -2.0708 -0.7620 -0.7620 -0.7523 -0.7523 -0.6919 -0.6919 -0.5001 -0.5001 -0.0848 -0.0848 -0.0485 -0.0485 0.0116 0.0116 0.1450 0.1450 0.1935 0.1935 0.3852 0.3852 3.9407 3.9407 6.5080 6.5080 7.0084 7.0084 7.3209 7.3209 7.9619 7.9619 8.1426 8.1426 9.1156 9.1156 9.3024 9.3024 10.3940 10.3940 11.2273 11.2273 k = 0.1098 0.0634-0.0000 ( 3641 PWs) bands (ev): -19.3897 -19.3897 -6.0873 -6.0873 -4.3287 -4.3287 -3.9694 -3.9694 -2.6972 -2.6972 -2.0755 -2.0755 -0.7595 -0.7595 -0.7486 -0.7486 -0.6914 -0.6914 -0.4989 -0.4989 -0.0832 -0.0832 -0.0499 -0.0499 0.0129 0.0129 0.1472 0.1472 0.1911 0.1911 0.3890 0.3890 3.9658 3.9658 6.4047 6.4047 6.9935 6.9935 7.1919 7.1919 7.9183 7.9183 8.0976 8.0976 9.1899 9.1899 9.3947 9.3947 10.4403 10.4403 11.2570 11.2570 k = 0.1220 0.0704-0.0000 ( 3641 PWs) bands (ev): -19.3889 -19.3889 -6.0891 -6.0891 -4.3287 -4.3287 -3.9811 -3.9811 -2.6771 -2.6771 -2.0807 -2.0807 -0.7569 -0.7569 -0.7445 -0.7445 -0.6907 -0.6907 -0.4975 -0.4975 -0.0815 -0.0815 -0.0511 -0.0511 0.0139 0.0139 0.1491 0.1491 0.1889 0.1889 0.3932 0.3932 3.9932 3.9932 6.2983 6.2983 6.9776 6.9776 7.0645 7.0645 7.8710 7.8710 8.0488 8.0488 9.2646 9.2646 9.4819 9.4819 10.4892 10.4892 11.2635 11.2635 k = 0.1341 0.0774-0.0000 ( 3649 PWs) bands (ev): -19.3881 -19.3881 -6.0912 -6.0912 -4.3289 -4.3289 -3.9931 -3.9931 -2.6559 -2.6559 -2.0863 -2.0863 -0.7540 -0.7540 -0.7399 -0.7399 -0.6899 -0.6899 -0.4958 -0.4958 -0.0795 -0.0795 -0.0518 -0.0518 0.0147 0.0147 0.1503 0.1503 0.1870 0.1870 0.3979 0.3979 4.0225 4.0225 6.1894 6.1894 6.9398 6.9398 6.9607 6.9607 7.8207 7.8207 7.9972 7.9972 9.3386 9.3386 9.5615 9.5615 10.5411 10.5411 11.2697 11.2697 k = 0.1463 0.0845-0.0000 ( 3647 PWs) bands (ev): -19.3873 -19.3873 -6.0935 -6.0935 -4.3293 -4.3293 -4.0052 -4.0052 -2.6338 -2.6338 -2.0922 -2.0922 -0.7510 -0.7510 -0.7350 -0.7350 -0.6888 -0.6888 -0.4939 -0.4939 -0.0772 -0.0772 -0.0521 -0.0521 0.0153 0.0153 0.1506 0.1506 0.1858 0.1858 0.4031 0.4031 4.0534 4.0534 6.0785 6.0785 6.8190 6.8190 6.9425 6.9425 7.7678 7.7678 7.9435 7.9435 9.4116 9.4116 9.6303 9.6303 10.5972 10.5972 11.2819 11.2819 k = 0.1585 0.0915-0.0000 ( 3643 PWs) bands (ev): -19.3864 -19.3864 -6.0960 -6.0960 -4.3299 -4.3299 -4.0172 -4.0172 -2.6110 -2.6110 -2.0985 -2.0985 -0.7478 -0.7478 -0.7299 -0.7299 -0.6874 -0.6874 -0.4917 -0.4917 -0.0747 -0.0747 -0.0520 -0.0520 0.0158 0.0158 0.1498 0.1498 0.1855 0.1855 0.4087 0.4087 4.0856 4.0856 5.9659 5.9659 6.7028 6.7028 6.9234 6.9234 7.7129 7.7129 7.8885 7.8885 9.4832 9.4832 9.6856 9.6856 10.6591 10.6591 11.3035 11.3035 k = 0.1707 0.0986-0.0000 ( 3653 PWs) bands (ev): -19.3854 -19.3854 -6.0986 -6.0986 -4.3307 -4.3307 -4.0290 -4.0290 -2.5877 -2.5877 -2.1051 -2.1051 -0.7445 -0.7445 -0.7247 -0.7247 -0.6856 -0.6856 -0.4893 -0.4893 -0.0718 -0.0718 -0.0515 -0.0515 0.0160 0.0160 0.1478 0.1478 0.1861 0.1861 0.4147 0.4147 4.1187 4.1187 5.8518 5.8518 6.5920 6.5920 6.9032 6.9032 7.6565 7.6565 7.8327 7.8327 9.5528 9.5528 9.7261 9.7261 10.7278 10.7278 11.3353 11.3353 k = 0.1829 0.1056-0.0000 ( 3651 PWs) bands (ev): -19.3844 -19.3844 -6.1015 -6.1015 -4.3319 -4.3319 -4.0402 -4.0402 -2.5642 -2.5642 -2.1119 -2.1119 -0.7411 -0.7411 -0.7195 -0.7195 -0.6830 -0.6830 -0.4865 -0.4865 -0.0687 -0.0687 -0.0506 -0.0506 0.0161 0.0161 0.1449 0.1449 0.1875 0.1875 0.4212 0.4212 4.1522 4.1522 5.7365 5.7365 6.4873 6.4873 6.8821 6.8821 7.5987 7.5987 7.7767 7.7767 9.6190 9.6190 9.7530 9.7530 10.8036 10.8036 11.3770 11.3770 k = 0.1951 0.1127-0.0000 ( 3643 PWs) bands (ev): -19.3834 -19.3834 -6.1045 -6.1045 -4.3334 -4.3334 -4.0508 -4.0508 -2.5407 -2.5407 -2.1187 -2.1187 -0.7377 -0.7377 -0.7147 -0.7147 -0.6796 -0.6796 -0.4834 -0.4834 -0.0653 -0.0653 -0.0493 -0.0493 0.0161 0.0161 0.1412 0.1412 0.1895 0.1895 0.4279 0.4279 4.1855 4.1855 5.6204 5.6204 6.3894 6.3894 6.8602 6.8602 7.5401 7.5401 7.7208 7.7208 9.6753 9.6753 9.7740 9.7740 10.8850 10.8850 11.4273 11.4273 k = 0.2073 0.1197-0.0000 ( 3643 PWs) bands (ev): -19.3823 -19.3823 -6.1077 -6.1077 -4.3354 -4.3354 -4.0606 -4.0606 -2.5174 -2.5174 -2.1256 -2.1256 -0.7343 -0.7343 -0.7105 -0.7105 -0.6750 -0.6750 -0.4801 -0.4801 -0.0616 -0.0616 -0.0473 -0.0473 0.0159 0.0159 0.1370 0.1370 0.1920 0.1920 0.4349 0.4349 4.2180 4.2180 5.5039 5.5039 6.2988 6.2988 6.8377 6.8377 7.4809 7.4809 7.6656 7.6656 9.7044 9.7044 9.8093 9.8093 10.9695 10.9695 11.4843 11.4843 k = 0.2195 0.1267-0.0000 ( 3645 PWs) bands (ev): -19.3813 -19.3813 -6.1111 -6.1111 -4.3379 -4.3379 -4.0695 -4.0695 -2.4946 -2.4946 -2.1323 -2.1323 -0.7310 -0.7310 -0.7071 -0.7071 -0.6693 -0.6693 -0.4763 -0.4763 -0.0581 -0.0581 -0.0446 -0.0446 0.0157 0.0157 0.1325 0.1325 0.1947 0.1947 0.4421 0.4421 4.2491 4.2491 5.3873 5.3873 6.2160 6.2160 6.8145 6.8145 7.4213 7.4213 7.6112 7.6112 9.7019 9.7019 9.8661 9.8661 11.0538 11.0538 11.5462 11.5462 k = 0.2317 0.1338-0.0000 ( 3645 PWs) bands (ev): -19.3802 -19.3802 -6.1146 -6.1146 -4.3410 -4.3410 -4.0773 -4.0773 -2.4726 -2.4726 -2.1387 -2.1387 -0.7277 -0.7277 -0.7043 -0.7043 -0.6623 -0.6623 -0.4723 -0.4723 -0.0549 -0.0549 -0.0408 -0.0408 0.0154 0.0154 0.1279 0.1279 0.1976 0.1976 0.4494 0.4494 4.2779 4.2779 5.2715 5.2715 6.1414 6.1414 6.7909 6.7909 7.3616 7.3616 7.5580 7.5580 9.6832 9.6832 9.9315 9.9315 11.1347 11.1347 11.6111 11.6111 k = 0.2439 0.1408-0.0000 ( 3643 PWs) bands (ev): -19.3790 -19.3790 -6.1182 -6.1182 -4.3446 -4.3446 -4.0841 -4.0841 -2.4516 -2.4516 -2.1445 -2.1445 -0.7244 -0.7244 -0.7020 -0.7020 -0.6545 -0.6545 -0.4679 -0.4679 -0.0522 -0.0522 -0.0358 -0.0358 0.0150 0.0150 0.1233 0.1233 0.2008 0.2008 0.4568 0.4568 4.3034 4.3034 5.1571 5.1571 6.0755 6.0755 6.7670 6.7670 7.3020 7.3020 7.5062 7.5062 9.6565 9.6565 9.9997 9.9997 11.2096 11.2096 11.6767 11.6767 k = 0.2561 0.1479-0.0000 ( 3642 PWs) bands (ev): -19.3779 -19.3779 -6.1219 -6.1219 -4.3487 -4.3487 -4.0897 -4.0897 -2.4320 -2.4320 -2.1496 -2.1496 -0.7214 -0.7214 -0.7002 -0.7002 -0.6459 -0.6459 -0.4632 -0.4632 -0.0501 -0.0501 -0.0298 -0.0298 0.0147 0.0147 0.1189 0.1189 0.2041 0.2041 0.4641 0.4641 4.3244 4.3244 5.0452 5.0452 6.0185 6.0185 6.7430 6.7430 7.2428 7.2428 7.4560 7.4560 9.6255 9.6255 10.0689 10.0689 11.2765 11.2765 11.7410 11.7410 k = 0.2683 0.1549-0.0000 ( 3642 PWs) bands (ev): -19.3768 -19.3768 -6.1257 -6.1257 -4.3534 -4.3534 -4.0941 -4.0941 -2.4142 -2.4142 -2.1537 -2.1537 -0.7185 -0.7185 -0.6985 -0.6985 -0.6368 -0.6368 -0.4582 -0.4582 -0.0483 -0.0483 -0.0230 -0.0230 0.0146 0.0146 0.1147 0.1147 0.2078 0.2078 0.4713 0.4713 4.3395 4.3395 4.9371 4.9371 5.9708 5.9708 6.7189 6.7189 7.1842 7.1842 7.4076 7.4076 9.5920 9.5920 10.1382 10.1382 11.3345 11.3345 11.8013 11.8013 k = 0.2805 0.1619-0.0000 ( 3636 PWs) bands (ev): -19.3757 -19.3757 -6.1295 -6.1295 -4.3585 -4.3585 -4.0974 -4.0974 -2.3984 -2.3984 -2.1564 -2.1564 -0.7159 -0.7159 -0.6970 -0.6970 -0.6273 -0.6273 -0.4529 -0.4529 -0.0469 -0.0469 -0.0159 -0.0159 0.0147 0.0147 0.1110 0.1110 0.2117 0.2117 0.4784 0.4784 4.3467 4.3467 4.8348 4.8348 5.9326 5.9326 6.6950 6.6950 7.1263 7.1263 7.3611 7.3611 9.5574 9.5574 10.2072 10.2072 11.3834 11.3834 11.8548 11.8548 k = 0.2927 0.1690-0.0000 ( 3628 PWs) bands (ev): -19.3746 -19.3746 -6.1334 -6.1334 -4.3640 -4.3640 -4.0996 -4.0996 -2.3851 -2.3851 -2.1575 -2.1575 -0.7135 -0.7135 -0.6956 -0.6956 -0.6178 -0.6178 -0.4473 -0.4473 -0.0457 -0.0457 -0.0091 -0.0091 0.0156 0.0156 0.1078 0.1078 0.2162 0.2162 0.4851 0.4851 4.3429 4.3429 4.7412 4.7412 5.9040 5.9040 6.6714 6.6714 7.0695 7.0695 7.3167 7.3167 9.5227 9.5227 10.2754 10.2754 11.4233 11.4233 11.8977 11.8977 k = 0.3049 0.1760-0.0000 ( 3626 PWs) bands (ev): -19.3736 -19.3736 -6.1372 -6.1372 -4.3699 -4.3699 -4.1009 -4.1009 -2.3745 -2.3745 -2.1568 -2.1568 -0.7114 -0.7114 -0.6941 -0.6941 -0.6082 -0.6082 -0.4415 -0.4415 -0.0448 -0.0448 -0.0037 -0.0037 0.0180 0.0180 0.1054 0.1054 0.2212 0.2212 0.4914 0.4914 4.3240 4.3240 4.6608 4.6608 5.8848 5.8848 6.6482 6.6482 7.0137 7.0137 7.2744 7.2744 9.4886 9.4886 10.3426 10.3426 11.4541 11.4541 11.9269 11.9269 k = 0.3171 0.1831-0.0000 ( 3620 PWs) bands (ev): -19.3725 -19.3725 -6.1410 -6.1410 -4.3759 -4.3759 -4.1013 -4.1013 -2.3666 -2.3666 -2.1541 -2.1541 -0.7096 -0.7096 -0.6927 -0.6927 -0.5987 -0.5987 -0.4356 -0.4356 -0.0441 -0.0441 -0.0005 -0.0005 0.0226 0.0226 0.1039 0.1039 0.2269 0.2269 0.4972 0.4972 4.2863 4.2863 4.5979 4.5979 5.8747 5.8747 6.6255 6.6255 6.9592 6.9592 7.2343 7.2343 9.4556 9.4556 10.4082 10.4082 11.4752 11.4752 11.9418 11.9418 k = 0.3293 0.1901-0.0000 ( 3614 PWs) bands (ev): -19.3715 -19.3715 -6.1448 -6.1448 -4.3820 -4.3820 -4.1010 -4.1010 -2.3615 -2.3615 -2.1496 -2.1496 -0.7081 -0.7081 -0.6912 -0.6912 -0.5894 -0.5894 -0.4295 -0.4295 -0.0435 -0.0435 0.0005 0.0005 0.0286 0.0286 0.1035 0.1035 0.2335 0.2335 0.5025 0.5025 4.2298 4.2298 4.5530 4.5530 5.8733 5.8733 6.6036 6.6036 6.9060 6.9060 7.1966 7.1966 9.4240 9.4240 10.4718 10.4718 11.4852 11.4852 11.9465 11.9465 k = 0.3415 0.1971-0.0000 ( 3618 PWs) bands (ev): -19.3706 -19.3706 -6.1485 -6.1485 -4.3880 -4.3880 -4.1000 -4.1000 -2.3588 -2.3588 -2.1435 -2.1435 -0.7068 -0.7068 -0.6897 -0.6897 -0.5805 -0.5805 -0.4234 -0.4234 -0.0432 -0.0432 0.0003 0.0003 0.0349 0.0349 0.1044 0.1044 0.2413 0.2413 0.5071 0.5071 4.1603 4.1603 4.5213 4.5213 5.8796 5.8796 6.5825 6.5825 6.8544 6.8544 7.1612 7.1612 9.3940 9.3940 10.5331 10.5331 11.4826 11.4826 11.9480 11.9480 k = 0.3537 0.2042-0.0000 ( 3606 PWs) bands (ev): -19.3696 -19.3696 -6.1520 -6.1520 -4.3940 -4.3940 -4.0986 -4.0986 -2.3581 -2.3581 -2.1363 -2.1363 -0.7057 -0.7057 -0.6882 -0.6882 -0.5720 -0.5720 -0.4174 -0.4174 -0.0430 -0.0430 -0.0006 -0.0006 0.0404 0.0404 0.1067 0.1067 0.2504 0.2504 0.5108 0.5108 4.0846 4.0846 4.4970 4.4970 5.8929 5.8929 6.5623 6.5623 6.8043 6.8043 7.1283 7.1283 9.3660 9.3660 10.5915 10.5915 11.4665 11.4665 11.9533 11.9533 k = 0.3659 0.2112-0.0000 ( 3602 PWs) bands (ev): -19.3688 -19.3688 -6.1554 -6.1554 -4.3998 -4.3998 -4.0968 -4.0968 -2.3591 -2.3591 -2.1282 -2.1282 -0.7049 -0.7049 -0.6868 -0.6868 -0.5639 -0.5639 -0.4115 -0.4115 -0.0429 -0.0429 -0.0018 -0.0018 0.0449 0.0449 0.1102 0.1102 0.2610 0.2610 0.5137 0.5137 4.0076 4.0076 4.4764 4.4764 5.9122 5.9122 6.5433 6.5433 6.7558 6.7558 7.0978 7.0978 9.3399 9.3399 10.6466 10.6466 11.4380 11.4380 11.9666 11.9666 k = 0.3780 0.2183-0.0000 ( 3606 PWs) bands (ev): -19.3680 -19.3680 -6.1586 -6.1586 -4.4053 -4.4053 -4.0947 -4.0947 -2.3612 -2.3612 -2.1199 -2.1199 -0.7041 -0.7041 -0.6855 -0.6855 -0.5564 -0.5564 -0.4059 -0.4059 -0.0429 -0.0429 -0.0033 -0.0033 0.0482 0.0482 0.1146 0.1146 0.2731 0.2731 0.5156 0.5156 3.9324 3.9324 4.4576 4.4576 5.9364 5.9364 6.5254 6.5254 6.7089 6.7089 7.0699 7.0699 9.3159 9.3159 10.6983 10.6983 11.4001 11.4001 11.9888 11.9888 k = 0.3902 0.2253-0.0000 ( 3606 PWs) bands (ev): -19.3672 -19.3672 -6.1617 -6.1617 -4.4105 -4.4105 -4.0925 -4.0925 -2.3641 -2.3641 -2.1115 -2.1115 -0.7035 -0.7035 -0.6843 -0.6843 -0.5495 -0.5495 -0.4005 -0.4005 -0.0430 -0.0430 -0.0050 -0.0050 0.0505 0.0505 0.1193 0.1193 0.2867 0.2867 0.5164 0.5164 3.8609 3.8609 4.4400 4.4400 5.9646 5.9646 6.5089 6.5089 6.6635 6.6635 7.0445 7.0445 9.2942 9.2942 10.7461 10.7461 11.3564 11.3564 12.0190 12.0190 k = 0.4024 0.2323-0.0000 ( 3606 PWs) bands (ev): -19.3665 -19.3665 -6.1644 -6.1644 -4.4152 -4.4152 -4.0902 -4.0902 -2.3673 -2.3673 -2.1035 -2.1035 -0.7030 -0.7030 -0.6831 -0.6831 -0.5433 -0.5433 -0.3955 -0.3955 -0.0432 -0.0432 -0.0067 -0.0067 0.0521 0.0521 0.1240 0.1240 0.3017 0.3017 0.5160 0.5160 3.7943 3.7943 4.4234 4.4234 5.9959 5.9959 6.4936 6.4936 6.6198 6.6198 7.0217 7.0217 9.2746 9.2746 10.7899 10.7899 11.3101 11.3101 12.0557 12.0557 k = 0.4146 0.2394-0.0000 ( 3614 PWs) bands (ev): -19.3659 -19.3659 -6.1669 -6.1669 -4.4196 -4.4196 -4.0880 -4.0880 -2.3708 -2.3708 -2.0960 -2.0960 -0.7026 -0.7026 -0.6822 -0.6822 -0.5376 -0.5376 -0.3909 -0.3909 -0.0434 -0.0434 -0.0084 -0.0084 0.0533 0.0533 0.1282 0.1282 0.3177 0.3177 0.5144 0.5144 3.7336 3.7336 4.4080 4.4080 6.0295 6.0295 6.4798 6.4798 6.5776 6.5776 7.0016 7.0016 9.2573 9.2573 10.8297 10.8297 11.2638 11.2638 12.0971 12.0971 k = 0.4268 0.2464-0.0000 ( 3620 PWs) bands (ev): -19.3654 -19.3654 -6.1692 -6.1692 -4.4234 -4.4234 -4.0859 -4.0859 -2.3741 -2.3741 -2.0892 -2.0892 -0.7023 -0.7023 -0.6813 -0.6813 -0.5327 -0.5327 -0.3869 -0.3869 -0.0436 -0.0436 -0.0101 -0.0101 0.0541 0.0541 0.1320 0.1320 0.3344 0.3344 0.5116 0.5116 3.6796 3.6796 4.3939 4.3939 6.0646 6.0646 6.4671 6.4671 6.5371 6.5371 6.9841 6.9841 9.2423 9.2423 10.8655 10.8655 11.2194 11.2194 12.1417 12.1417 k = 0.4390 0.2535-0.0000 ( 3612 PWs) bands (ev): -19.3649 -19.3649 -6.1711 -6.1711 -4.4267 -4.4267 -4.0840 -4.0840 -2.3772 -2.3772 -2.0833 -2.0833 -0.7020 -0.7020 -0.6806 -0.6806 -0.5285 -0.5285 -0.3834 -0.3834 -0.0438 -0.0438 -0.0116 -0.0116 0.0547 0.0547 0.1351 0.1351 0.3512 0.3512 0.5075 0.5075 3.6329 3.6329 4.3815 4.3815 6.1007 6.1007 6.4550 6.4550 6.4991 6.4991 6.9692 6.9692 9.2296 9.2296 10.8976 10.8976 11.1780 11.1780 12.1878 12.1878 k = 0.4512 0.2605-0.0000 ( 3608 PWs) bands (ev): -19.3646 -19.3646 -6.1727 -6.1727 -4.4294 -4.4294 -4.0824 -4.0824 -2.3799 -2.3799 -2.0784 -2.0784 -0.7018 -0.7018 -0.6800 -0.6800 -0.5250 -0.5250 -0.3805 -0.3805 -0.0439 -0.0439 -0.0129 -0.0129 0.0551 0.0551 0.1376 0.1376 0.3675 0.3675 0.5023 0.5023 3.5939 3.5939 4.3710 4.3710 6.1371 6.1371 6.4394 6.4394 6.4675 6.4675 6.9570 6.9570 9.2191 9.2191 10.9262 10.9262 11.1405 11.1405 12.2334 12.2334 k = 0.4634 0.2676-0.0000 ( 3608 PWs) bands (ev): -19.3643 -19.3643 -6.1739 -6.1739 -4.4315 -4.4315 -4.0810 -4.0810 -2.3822 -2.3822 -2.0744 -2.0744 -0.7016 -0.7016 -0.6796 -0.6796 -0.5223 -0.5223 -0.3782 -0.3782 -0.0441 -0.0441 -0.0140 -0.0140 0.0555 0.0555 0.1394 0.1394 0.3826 0.3826 0.4964 0.4964 3.5631 3.5631 4.3626 4.3626 6.1733 6.1733 6.4118 6.4118 6.4510 6.4510 6.9476 6.9476 9.2110 9.2110 10.9519 10.9519 11.1071 11.1071 12.2758 12.2758 k = 0.4756 0.2746-0.0000 ( 3612 PWs) bands (ev): -19.3641 -19.3641 -6.1748 -6.1748 -4.4331 -4.4331 -4.0801 -4.0801 -2.3838 -2.3838 -2.0716 -2.0716 -0.7015 -0.7015 -0.6792 -0.6792 -0.5203 -0.5203 -0.3765 -0.3765 -0.0442 -0.0442 -0.0148 -0.0148 0.0557 0.0557 0.1408 0.1408 0.3953 0.3953 0.4905 0.4905 3.5409 3.5409 4.3565 4.3565 6.2081 6.2081 6.3789 6.3789 6.4437 6.4437 6.9408 6.9408 9.2052 9.2052 10.9752 10.9752 11.0779 11.0779 12.3114 12.3114 k = 0.4878 0.2816-0.0000 ( 3614 PWs) bands (ev): -19.3639 -19.3639 -6.1754 -6.1754 -4.4340 -4.4340 -4.0795 -4.0795 -2.3848 -2.3848 -2.0699 -2.0699 -0.7014 -0.7014 -0.6790 -0.6790 -0.5191 -0.5191 -0.3755 -0.3755 -0.0442 -0.0442 -0.0153 -0.0153 0.0558 0.0558 0.1415 0.1415 0.4043 0.4043 0.4857 0.4857 3.5274 3.5274 4.3527 4.3527 6.2387 6.2387 6.3488 6.3488 6.4401 6.4401 6.9367 6.9367 9.2017 9.2017 10.9960 10.9960 11.0533 11.0533 12.3358 12.3358 k = 0.5000 0.2887-0.0000 ( 3614 PWs) bands (ev): -19.3639 -19.3639 -6.1756 -6.1756 -4.4343 -4.4343 -4.0793 -4.0793 -2.3851 -2.3851 -2.0693 -2.0693 -0.7014 -0.7014 -0.6790 -0.6790 -0.5187 -0.5187 -0.3752 -0.3752 -0.0442 -0.0442 -0.0155 -0.0155 0.0559 0.0559 0.1418 0.1418 0.4076 0.4076 0.4838 0.4838 3.5229 3.5229 4.3515 4.3515 6.2538 6.2538 6.3338 6.3338 6.4389 6.4389 6.9354 6.9354 9.2006 9.2006 11.0081 11.0081 11.0400 11.0400 12.3446 12.3446 k = 0.5000 0.2887-0.0000 ( 3614 PWs) bands (ev): -19.3639 -19.3639 -6.1756 -6.1756 -4.4343 -4.4343 -4.0793 -4.0793 -2.3851 -2.3851 -2.0693 -2.0693 -0.7014 -0.7014 -0.6790 -0.6790 -0.5187 -0.5187 -0.3752 -0.3752 -0.0442 -0.0442 -0.0155 -0.0155 0.0559 0.0559 0.1418 0.1418 0.4076 0.4076 0.4838 0.4838 3.5229 3.5229 4.3515 4.3515 6.2538 6.2538 6.3338 6.3338 6.4389 6.4389 6.9354 6.9354 9.2006 9.2006 11.0081 11.0081 11.0400 11.0400 12.3446 12.3446 k = 0.4931 0.3007-0.0000 ( 3610 PWs) bands (ev): -19.3639 -19.3639 -6.1756 -6.1756 -4.4341 -4.4341 -4.0798 -4.0798 -2.3846 -2.3846 -2.0695 -2.0695 -0.7015 -0.7015 -0.6788 -0.6788 -0.5192 -0.5192 -0.3746 -0.3746 -0.0442 -0.0442 -0.0154 -0.0154 0.0558 0.0558 0.1418 0.1418 0.4078 0.4078 0.4842 0.4842 3.5241 3.5241 4.3498 4.3498 6.2543 6.2543 6.3346 6.3346 6.4304 6.4304 6.9357 6.9357 9.2110 9.2110 11.0089 11.0089 11.0379 11.0379 12.3480 12.3480 k = 0.4861 0.3127-0.0000 ( 3612 PWs) bands (ev): -19.3638 -19.3638 -6.1756 -6.1756 -4.4335 -4.4335 -4.0815 -4.0815 -2.3830 -2.3830 -2.0702 -2.0702 -0.7019 -0.7019 -0.6783 -0.6783 -0.5205 -0.5205 -0.3730 -0.3730 -0.0442 -0.0442 -0.0151 -0.0151 0.0556 0.0556 0.1417 0.1417 0.4082 0.4082 0.4856 0.4856 3.5276 3.5276 4.3446 4.3446 6.2555 6.2555 6.3362 6.3362 6.4062 6.4062 6.9365 6.9365 9.2417 9.2417 11.0110 11.0110 11.0319 11.0319 12.3582 12.3582 k = 0.4792 0.3248-0.0000 ( 3608 PWs) bands (ev): -19.3638 -19.3638 -6.1756 -6.1756 -4.4325 -4.4325 -4.0842 -4.0842 -2.3803 -2.3803 -2.0712 -2.0712 -0.7026 -0.7026 -0.6774 -0.6774 -0.5226 -0.5226 -0.3704 -0.3704 -0.0441 -0.0441 -0.0147 -0.0147 0.0553 0.0553 0.1415 0.1415 0.4088 0.4088 0.4879 0.4879 3.5334 3.5334 4.3360 4.3360 6.2570 6.2570 6.3321 6.3321 6.3747 6.3747 6.9378 6.9378 9.2914 9.2914 11.0142 11.0142 11.0224 11.0224 12.3752 12.3752 k = 0.4722 0.3368-0.0000 ( 3608 PWs) bands (ev): -19.3637 -19.3637 -6.1756 -6.1756 -4.4312 -4.4312 -4.0880 -4.0880 -2.3766 -2.3766 -2.0727 -2.0727 -0.7033 -0.7033 -0.6763 -0.6763 -0.5254 -0.5254 -0.3669 -0.3669 -0.0440 -0.0440 -0.0141 -0.0141 0.0550 0.0550 0.1412 0.1412 0.4098 0.4098 0.4911 0.4911 3.5414 3.5414 4.3243 4.3243 6.2547 6.2547 6.2991 6.2991 6.3649 6.3649 6.9394 6.9394 9.3580 9.3580 11.0081 11.0081 11.0200 11.0200 12.3989 12.3989 k = 0.4653 0.3488-0.0000 ( 3618 PWs) bands (ev): -19.3635 -19.3635 -6.1756 -6.1756 -4.4294 -4.4294 -4.0928 -4.0928 -2.3719 -2.3719 -2.0745 -2.0745 -0.7043 -0.7043 -0.6750 -0.6750 -0.5288 -0.5288 -0.3628 -0.3628 -0.0436 -0.0436 -0.0134 -0.0134 0.0545 0.0545 0.1406 0.1406 0.4110 0.4110 0.4951 0.4951 3.5516 3.5516 4.3096 4.3096 6.2159 6.2159 6.2773 6.2773 6.3717 6.3717 6.9412 6.9412 9.4390 9.4390 10.9919 10.9919 11.0256 11.0256 12.4290 12.4290 k = 0.4583 0.3608-0.0000 ( 3618 PWs) bands (ev): -19.3634 -19.3634 -6.1756 -6.1756 -4.4274 -4.4274 -4.0984 -4.0984 -2.3664 -2.3664 -2.0768 -2.0768 -0.7052 -0.7052 -0.6735 -0.6735 -0.5325 -0.5325 -0.3581 -0.3581 -0.0431 -0.0431 -0.0127 -0.0127 0.0541 0.0541 0.1399 0.1399 0.4125 0.4125 0.5000 0.5000 3.5640 3.5640 4.2922 4.2922 6.1418 6.1418 6.2799 6.2799 6.3830 6.3830 6.9431 6.9431 9.5319 9.5319 10.9730 10.9730 11.0324 11.0324 12.4646 12.4646 k = 0.4514 0.3729-0.0000 ( 3622 PWs) bands (ev): -19.3632 -19.3632 -6.1757 -6.1757 -4.4250 -4.4250 -4.1048 -4.1048 -2.3601 -2.3601 -2.0794 -2.0794 -0.7063 -0.7063 -0.6719 -0.6719 -0.5366 -0.5366 -0.3530 -0.3530 -0.0423 -0.0423 -0.0119 -0.0119 0.0537 0.0537 0.1388 0.1388 0.4142 0.4142 0.5056 0.5056 3.5785 3.5785 4.2724 4.2724 6.0568 6.0568 6.2865 6.2865 6.3966 6.3966 6.9447 6.9447 9.6343 9.6343 10.9523 10.9523 11.0399 11.0399 12.5035 12.5035 k = 0.4444 0.3849-0.0000 ( 3618 PWs) bands (ev): -19.3631 -19.3631 -6.1757 -6.1757 -4.4223 -4.4223 -4.1118 -4.1118 -2.3531 -2.3531 -2.0824 -2.0824 -0.7073 -0.7073 -0.6701 -0.6701 -0.5408 -0.5408 -0.3477 -0.3477 -0.0411 -0.0411 -0.0111 -0.0111 0.0533 0.0533 0.1375 0.1375 0.4162 0.4162 0.5120 0.5120 3.5950 3.5950 4.2505 4.2505 5.9656 5.9656 6.2950 6.2950 6.4120 6.4120 6.9458 6.9458 9.7440 9.7440 10.9305 10.9305 11.0478 11.0478 12.5388 12.5388 k = 0.4375 0.3969-0.0000 ( 3622 PWs) bands (ev): -19.3629 -19.3629 -6.1758 -6.1758 -4.4193 -4.4193 -4.1194 -4.1194 -2.3455 -2.3455 -2.0856 -2.0856 -0.7083 -0.7083 -0.6683 -0.6683 -0.5452 -0.5452 -0.3422 -0.3422 -0.0397 -0.0397 -0.0103 -0.0103 0.0529 0.0529 0.1357 0.1357 0.4184 0.4184 0.5189 0.5189 3.6132 3.6132 4.2268 4.2268 5.8707 5.8707 6.3050 6.3050 6.4288 6.4288 6.9464 6.9464 9.8591 9.8591 10.9083 10.9083 11.0557 11.0557 12.5501 12.5501 k = 0.4306 0.4090-0.0000 ( 3626 PWs) bands (ev): -19.3626 -19.3626 -6.1759 -6.1759 -4.4162 -4.4162 -4.1275 -4.1275 -2.3374 -2.3374 -2.0892 -2.0892 -0.7092 -0.7092 -0.6665 -0.6665 -0.5495 -0.5495 -0.3368 -0.3368 -0.0379 -0.0379 -0.0094 -0.0094 0.0527 0.0527 0.1336 0.1336 0.4208 0.4208 0.5265 0.5265 3.6332 3.6332 4.2018 4.2018 5.7737 5.7737 6.3162 6.3162 6.4464 6.4464 6.9461 6.9461 9.9777 9.9777 10.8867 10.8867 11.0631 11.0631 12.5109 12.5109 k = 0.4236 0.4210-0.0000 ( 3632 PWs) bands (ev): -19.3624 -19.3624 -6.1760 -6.1760 -4.4128 -4.4128 -4.1358 -4.1358 -2.3290 -2.3290 -2.0930 -2.0930 -0.7101 -0.7101 -0.6646 -0.6646 -0.5538 -0.5538 -0.3315 -0.3315 -0.0358 -0.0358 -0.0084 -0.0084 0.0524 0.0524 0.1312 0.1312 0.4234 0.4234 0.5345 0.5345 3.6548 3.6548 4.1758 4.1758 5.6762 5.6762 6.3288 6.3288 6.4647 6.4647 6.9448 6.9448 10.0984 10.0984 10.8663 10.8663 11.0697 11.0697 12.4354 12.4354 k = 0.4167 0.4330-0.0000 ( 3636 PWs) bands (ev): -19.3622 -19.3622 -6.1761 -6.1761 -4.4094 -4.4094 -4.1442 -4.1442 -2.3204 -2.3204 -2.0970 -2.0970 -0.7109 -0.7109 -0.6627 -0.6627 -0.5580 -0.5580 -0.3264 -0.3264 -0.0335 -0.0335 -0.0073 -0.0073 0.0523 0.0523 0.1284 0.1284 0.4260 0.4260 0.5429 0.5429 3.6776 3.6776 4.1493 4.1493 5.5796 5.5796 6.3424 6.3424 6.4832 6.4832 6.9424 6.9424 10.2199 10.2199 10.8479 10.8479 11.0749 11.0749 12.3485 12.3485 k = 0.4097 0.4450-0.0000 ( 3628 PWs) bands (ev): -19.3620 -19.3620 -6.1763 -6.1763 -4.4059 -4.4059 -4.1526 -4.1526 -2.3117 -2.3117 -2.1011 -2.1011 -0.7117 -0.7117 -0.6608 -0.6608 -0.5620 -0.5620 -0.3215 -0.3215 -0.0311 -0.0311 -0.0059 -0.0059 0.0522 0.0522 0.1253 0.1253 0.4288 0.4288 0.5515 0.5515 3.7015 3.7015 4.1226 4.1226 5.4851 5.4851 6.3572 6.3572 6.5014 6.5014 6.9388 6.9388 10.3410 10.3410 10.8325 10.8325 11.0781 11.0781 12.2606 12.2606 k = 0.4028 0.4571-0.0000 ( 3626 PWs) bands (ev): -19.3617 -19.3617 -6.1765 -6.1765 -4.4024 -4.4024 -4.1608 -4.1608 -2.3030 -2.3030 -2.1053 -2.1053 -0.7123 -0.7123 -0.6589 -0.6589 -0.5658 -0.5658 -0.3170 -0.3170 -0.0288 -0.0288 -0.0040 -0.0040 0.0521 0.0521 0.1219 0.1219 0.4316 0.4316 0.5602 0.5602 3.7261 3.7261 4.0962 4.0962 5.3937 5.3937 6.3730 6.3730 6.5191 6.5191 6.9340 6.9340 10.4604 10.4604 10.8210 10.8210 11.0789 11.0789 12.1756 12.1756 k = 0.3958 0.4691-0.0000 ( 3622 PWs) bands (ev): -19.3615 -19.3615 -6.1767 -6.1767 -4.3989 -4.3989 -4.1688 -4.1688 -2.2947 -2.2947 -2.1095 -2.1095 -0.7129 -0.7129 -0.6570 -0.6570 -0.5694 -0.5694 -0.3128 -0.3128 -0.0267 -0.0267 -0.0017 -0.0017 0.0521 0.0521 0.1183 0.1183 0.4344 0.4344 0.5688 0.5688 3.7510 3.7510 4.0703 4.0703 5.3065 5.3065 6.3897 6.3897 6.5358 6.5358 6.9280 6.9280 10.5759 10.5759 10.8156 10.8156 11.0768 11.0768 12.0951 12.0952 k = 0.3889 0.4811-0.0000 ( 3622 PWs) bands (ev): -19.3613 -19.3613 -6.1769 -6.1769 -4.3957 -4.3957 -4.1762 -4.1762 -2.2867 -2.2867 -2.1135 -2.1135 -0.7134 -0.7134 -0.6553 -0.6553 -0.5727 -0.5727 -0.3090 -0.3090 -0.0250 -0.0250 0.0011 0.0011 0.0521 0.0521 0.1146 0.1146 0.4371 0.4371 0.5771 0.5771 3.7757 3.7757 4.0455 4.0455 5.2246 5.2246 6.4072 6.4072 6.5510 6.5510 6.9209 6.9209 10.6805 10.6805 10.8231 10.8231 11.0714 11.0714 12.0201 12.0201 k = 0.3819 0.4932-0.0000 ( 3626 PWs) bands (ev): -19.3611 -19.3611 -6.1771 -6.1771 -4.3926 -4.3926 -4.1831 -4.1831 -2.2792 -2.2792 -2.1174 -2.1174 -0.7139 -0.7139 -0.6536 -0.6536 -0.5757 -0.5757 -0.3056 -0.3056 -0.0237 -0.0237 0.0045 0.0045 0.0522 0.0522 0.1108 0.1108 0.4398 0.4398 0.5850 0.5850 3.7998 3.7998 4.0222 4.0222 5.1491 5.1491 6.4252 6.4252 6.5644 6.5644 6.9127 6.9127 10.7487 10.7487 10.8686 10.8686 11.0629 11.0629 11.9507 11.9507 k = 0.3750 0.5052-0.0000 ( 3626 PWs) bands (ev): -19.3609 -19.3609 -6.1774 -6.1774 -4.3899 -4.3899 -4.1892 -4.1892 -2.2725 -2.2725 -2.1209 -2.1209 -0.7142 -0.7142 -0.6520 -0.6520 -0.5783 -0.5783 -0.3027 -0.3027 -0.0227 -0.0227 0.0082 0.0082 0.0522 0.0522 0.1071 0.1071 0.4424 0.4424 0.5923 0.5923 3.8225 3.8225 4.0007 4.0007 5.0810 5.0810 6.4436 6.4436 6.5756 6.5756 6.9039 6.9039 10.7729 10.7729 10.9571 10.9571 11.0543 11.0543 11.8869 11.8869 k = 0.3681 0.5172-0.0000 ( 3618 PWs) bands (ev): -19.3607 -19.3607 -6.1776 -6.1776 -4.3876 -4.3876 -4.1945 -4.1945 -2.2666 -2.2666 -2.1240 -2.1240 -0.7145 -0.7145 -0.6506 -0.6506 -0.5806 -0.5806 -0.3001 -0.3001 -0.0221 -0.0221 0.0119 0.0119 0.0523 0.0523 0.1035 0.1035 0.4448 0.4448 0.5988 0.5988 3.8429 3.8429 3.9817 3.9817 5.0213 5.0213 6.4621 6.4621 6.5843 6.5843 6.8947 6.8947 10.7859 10.7859 11.0143 11.0143 11.0867 11.0867 11.8280 11.8280 k = 0.3611 0.5292-0.0000 ( 3610 PWs) bands (ev): -19.3605 -19.3605 -6.1778 -6.1778 -4.3857 -4.3857 -4.1989 -4.1989 -2.2617 -2.2617 -2.1265 -2.1265 -0.7147 -0.7147 -0.6494 -0.6494 -0.5825 -0.5825 -0.2980 -0.2980 -0.0217 -0.0217 0.0155 0.0155 0.0525 0.0525 0.1003 0.1003 0.4470 0.4470 0.6044 0.6044 3.8602 3.8602 3.9656 3.9656 4.9711 4.9711 6.4800 6.4800 6.5903 6.5903 6.8855 6.8855 10.7993 10.7993 11.0027 11.0027 11.1868 11.1868 11.7735 11.7735 k = 0.3542 0.5413-0.0000 ( 3612 PWs) bands (ev): -19.3604 -19.3604 -6.1780 -6.1780 -4.3842 -4.3842 -4.2023 -4.2023 -2.2579 -2.2579 -2.1285 -2.1285 -0.7148 -0.7148 -0.6484 -0.6484 -0.5839 -0.5839 -0.2963 -0.2963 -0.0215 -0.0215 0.0186 0.0186 0.0527 0.0527 0.0975 0.0975 0.4489 0.4489 0.6089 0.6089 3.8733 3.8733 3.9533 3.9533 4.9314 4.9314 6.4967 6.4967 6.5936 6.5936 6.8770 6.8770 10.8156 10.8156 10.9810 10.9810 11.2936 11.2936 11.7226 11.7226 k = 0.3472 0.5533-0.0000 ( 3608 PWs) bands (ev): -19.3603 -19.3603 -6.1782 -6.1782 -4.3832 -4.3832 -4.2047 -4.2047 -2.2553 -2.2553 -2.1298 -2.1298 -0.7149 -0.7149 -0.6477 -0.6477 -0.5850 -0.5850 -0.2951 -0.2951 -0.0214 -0.0214 0.0210 0.0210 0.0529 0.0529 0.0953 0.0953 0.4504 0.4504 0.6122 0.6122 3.8813 3.8813 3.9454 3.9454 4.9028 4.9028 6.5112 6.5112 6.5945 6.5945 6.8698 6.8698 10.8352 10.8352 10.9563 10.9563 11.3994 11.3994 11.6749 11.6749 k = 0.3403 0.5653-0.0000 ( 3604 PWs) bands (ev): -19.3603 -19.3603 -6.1783 -6.1783 -4.3826 -4.3826 -4.2060 -4.2060 -2.2538 -2.2538 -2.1305 -2.1305 -0.7150 -0.7150 -0.6472 -0.6472 -0.5856 -0.5856 -0.2944 -0.2944 -0.0213 -0.0213 0.0224 0.0224 0.0531 0.0531 0.0939 0.0939 0.4515 0.4515 0.6142 0.6142 3.8847 3.8847 3.9418 3.9418 4.8857 4.8857 6.5215 6.5215 6.5939 6.5939 6.8648 6.8648 10.8570 10.8570 10.9312 10.9312 11.5004 11.5004 11.6308 11.6308 k = 0.3333 0.5774-0.0000 ( 3594 PWs) bands (ev): -19.3602 -19.3602 -6.1783 -6.1783 -4.3825 -4.3825 -4.2065 -4.2065 -2.2533 -2.2533 -2.1307 -2.1307 -0.7150 -0.7150 -0.6471 -0.6471 -0.5858 -0.5858 -0.2942 -0.2942 -0.0213 -0.0213 0.0229 0.0229 0.0532 0.0532 0.0934 0.0934 0.4518 0.4518 0.6148 0.6148 3.8852 3.8852 3.9410 3.9410 4.8801 4.8801 6.5255 6.5255 6.5934 6.5934 6.8629 6.8629 10.8713 10.8713 10.9157 10.9157 11.5639 11.5639 11.6055 11.6055 k = 0.3333 0.5774-0.0000 ( 3594 PWs) bands (ev): -19.3602 -19.3602 -6.1783 -6.1783 -4.3825 -4.3825 -4.2065 -4.2065 -2.2533 -2.2533 -2.1307 -2.1307 -0.7150 -0.7150 -0.6471 -0.6471 -0.5858 -0.5858 -0.2942 -0.2942 -0.0213 -0.0213 0.0229 0.0229 0.0532 0.0532 0.0934 0.0934 0.4518 0.4518 0.6148 0.6148 3.8852 3.8852 3.9410 3.9410 4.8801 4.8801 6.5255 6.5255 6.5934 6.5934 6.8629 6.8629 10.8713 10.8713 10.9157 10.9157 11.5639 11.5639 11.6055 11.6055 k = 0.3262 0.5651-0.0000 ( 3610 PWs) bands (ev): -19.3603 -19.3603 -6.1783 -6.1783 -4.3826 -4.3826 -4.2060 -4.2060 -2.2538 -2.2538 -2.1305 -2.1305 -0.7150 -0.7150 -0.6472 -0.6472 -0.5856 -0.5856 -0.2944 -0.2944 -0.0213 -0.0213 0.0225 0.0225 0.0531 0.0531 0.0939 0.0939 0.4514 0.4514 0.6141 0.6141 3.8854 3.8854 3.9414 3.9414 4.8857 4.8857 6.5210 6.5210 6.5941 6.5941 6.8652 6.8652 10.8540 10.8540 10.9342 10.9342 11.5317 11.5317 11.5775 11.5775 k = 0.3191 0.5528-0.0000 ( 3612 PWs) bands (ev): -19.3603 -19.3603 -6.1781 -6.1781 -4.3830 -4.3830 -4.2048 -4.2048 -2.2549 -2.2549 -2.1302 -2.1302 -0.7150 -0.7150 -0.6477 -0.6477 -0.5850 -0.5850 -0.2953 -0.2953 -0.0213 -0.0213 0.0212 0.0212 0.0527 0.0527 0.0952 0.0952 0.4499 0.4499 0.6122 0.6122 3.8868 3.8868 3.9427 3.9427 4.9019 4.9019 6.5082 6.5082 6.5952 6.5952 6.8725 6.8725 10.8226 10.8226 10.9689 10.9689 11.4851 11.4851 11.5322 11.5322 k = 0.3121 0.5405-0.0000 ( 3616 PWs) bands (ev): -19.3604 -19.3604 -6.1778 -6.1778 -4.3835 -4.3835 -4.2030 -4.2030 -2.2567 -2.2567 -2.1299 -2.1299 -0.7149 -0.7149 -0.6484 -0.6484 -0.5842 -0.5842 -0.2967 -0.2967 -0.0212 -0.0212 0.0192 0.0192 0.0520 0.0520 0.0971 0.0971 0.4472 0.4472 0.6090 0.6090 3.8903 3.8903 3.9452 3.9452 4.9275 4.9275 6.4885 6.4885 6.5954 6.5954 6.8851 6.8851 10.7872 10.7872 11.0096 11.0096 11.4336 11.4336 11.4937 11.4937 k = 0.3050 0.5282-0.0000 ( 3616 PWs) bands (ev): -19.3606 -19.3606 -6.1774 -6.1774 -4.3840 -4.3840 -4.2005 -4.2005 -2.2588 -2.2588 -2.1297 -2.1297 -0.7149 -0.7149 -0.6493 -0.6493 -0.5832 -0.5832 -0.2987 -0.2987 -0.0211 -0.0211 0.0167 0.0167 0.0511 0.0511 0.0994 0.0994 0.4431 0.4431 0.6049 0.6049 3.8962 3.8962 3.9501 3.9501 4.9613 4.9613 6.4633 6.4633 6.5939 6.5939 6.9029 6.9029 10.7488 10.7488 11.0541 11.0541 11.3802 11.3802 11.4628 11.4628 k = 0.2979 0.5159-0.0000 ( 3612 PWs) bands (ev): -19.3608 -19.3608 -6.1768 -6.1768 -4.3845 -4.3845 -4.1977 -4.1977 -2.2610 -2.2610 -2.1299 -2.1299 -0.7148 -0.7148 -0.6505 -0.6505 -0.5821 -0.5821 -0.3014 -0.3014 -0.0209 -0.0209 0.0139 0.0139 0.0501 0.0501 0.1018 0.1018 0.4372 0.4372 0.6001 0.6001 3.9044 3.9044 3.9586 3.9586 5.0020 5.0020 6.4337 6.4337 6.5908 6.5908 6.9254 6.9254 10.7079 10.7079 11.1013 11.1013 11.3277 11.3277 11.4383 11.4383 k = 0.2908 0.5036-0.0000 ( 3612 PWs) bands (ev): -19.3611 -19.3611 -6.1761 -6.1761 -4.3848 -4.3848 -4.1945 -4.1945 -2.2633 -2.2633 -2.1306 -2.1306 -0.7148 -0.7148 -0.6518 -0.6518 -0.5809 -0.5809 -0.3048 -0.3048 -0.0206 -0.0206 0.0109 0.0109 0.0491 0.0491 0.1041 0.1041 0.4296 0.4296 0.5949 0.5949 3.9148 3.9148 3.9717 3.9717 5.0485 5.0485 6.4003 6.4003 6.5867 6.5867 6.9518 6.9518 10.6644 10.6644 11.1478 11.1478 11.2798 11.2798 11.4192 11.4192 k = 0.2837 0.4914-0.0000 ( 3616 PWs) bands (ev): -19.3615 -19.3615 -6.1752 -6.1752 -4.3849 -4.3849 -4.1912 -4.1912 -2.2655 -2.2655 -2.1320 -2.1320 -0.7148 -0.7148 -0.6532 -0.6532 -0.5798 -0.5798 -0.3089 -0.3089 -0.0202 -0.0202 0.0077 0.0077 0.0482 0.0482 0.1061 0.1061 0.4201 0.4201 0.5894 0.5894 3.9276 3.9276 3.9899 3.9899 5.0998 5.0998 6.3640 6.3640 6.5823 6.5823 6.9815 6.9815 10.6188 10.6188 11.1748 11.1748 11.2554 11.2554 11.4050 11.4050 k = 0.2766 0.4791-0.0000 ( 3622 PWs) bands (ev): -19.3619 -19.3619 -6.1740 -6.1740 -4.3847 -4.3847 -4.1877 -4.1877 -2.2676 -2.2676 -2.1340 -2.1340 -0.7148 -0.7148 -0.6548 -0.6548 -0.5788 -0.5788 -0.3137 -0.3137 -0.0196 -0.0196 0.0045 0.0045 0.0472 0.0472 0.1079 0.1079 0.4086 0.4086 0.5838 0.5838 3.9432 3.9432 4.0135 4.0135 5.1548 5.1548 6.3255 6.3255 6.5784 6.5784 7.0139 7.0139 10.5712 10.5712 11.1486 11.1486 11.2873 11.2873 11.3953 11.3953 k = 0.2695 0.4668-0.0000 ( 3626 PWs) bands (ev): -19.3623 -19.3623 -6.1727 -6.1727 -4.3842 -4.3842 -4.1841 -4.1841 -2.2694 -2.2694 -2.1367 -2.1367 -0.7149 -0.7149 -0.6565 -0.6565 -0.5781 -0.5781 -0.3192 -0.3192 -0.0190 -0.0190 0.0013 0.0013 0.0464 0.0464 0.1092 0.1092 0.3955 0.3955 0.5783 0.5783 3.9618 3.9618 4.0423 4.0423 5.2128 5.2128 6.2855 6.2855 6.5754 6.5754 7.0486 7.0486 10.5222 10.5222 11.1043 11.1043 11.3367 11.3367 11.3924 11.3924 k = 0.2624 0.4545-0.0000 ( 3628 PWs) bands (ev): -19.3628 -19.3628 -6.1711 -6.1711 -4.3834 -4.3834 -4.1805 -4.1805 -2.2710 -2.2710 -2.1402 -2.1402 -0.7150 -0.7150 -0.6582 -0.6582 -0.5776 -0.5776 -0.3255 -0.3255 -0.0184 -0.0184 -0.0018 -0.0018 0.0457 0.0457 0.1100 0.1100 0.3809 0.3809 0.5729 0.5729 3.9838 3.9838 4.0762 4.0762 5.2727 5.2727 6.2449 6.2449 6.5740 6.5740 7.0852 7.0852 10.4723 10.4723 11.0579 11.0579 11.3637 11.3637 11.4181 11.4181 k = 0.2553 0.4422-0.0000 ( 3624 PWs) bands (ev): -19.3634 -19.3634 -6.1693 -6.1693 -4.3822 -4.3822 -4.1769 -4.1769 -2.2724 -2.2724 -2.1444 -2.1444 -0.7152 -0.7152 -0.6600 -0.6600 -0.5774 -0.5774 -0.3325 -0.3325 -0.0179 -0.0179 -0.0047 -0.0047 0.0450 0.0450 0.1103 0.1103 0.3652 0.3652 0.5676 0.5676 4.0090 4.0090 4.1150 4.1150 5.3338 5.3338 6.2048 6.2048 6.5746 6.5746 7.1235 7.1235 10.4219 10.4219 11.0120 11.0120 11.3625 11.3625 11.4739 11.4739 k = 0.2482 0.4299-0.0000 ( 3620 PWs) bands (ev): -19.3641 -19.3641 -6.1673 -6.1673 -4.3807 -4.3807 -4.1733 -4.1733 -2.2736 -2.2736 -2.1494 -2.1494 -0.7155 -0.7155 -0.6618 -0.6618 -0.5777 -0.5777 -0.3401 -0.3401 -0.0178 -0.0178 -0.0070 -0.0070 0.0444 0.0444 0.1100 0.1100 0.3488 0.3488 0.5622 0.5622 4.0374 4.0374 4.1585 4.1585 5.3949 5.3949 6.1666 6.1666 6.5775 6.5775 7.1631 7.1631 10.3716 10.3716 10.9672 10.9672 11.3555 11.3555 11.5345 11.5345 k = 0.2411 0.4177-0.0000 ( 3622 PWs) bands (ev): -19.3648 -19.3648 -6.1651 -6.1651 -4.3788 -4.3788 -4.1698 -4.1698 -2.2749 -2.2749 -2.1548 -2.1548 -0.7158 -0.7158 -0.6637 -0.6637 -0.5785 -0.5785 -0.3483 -0.3483 -0.0186 -0.0186 -0.0082 -0.0082 0.0438 0.0438 0.1091 0.1091 0.3323 0.3323 0.5568 0.5568 4.0686 4.0686 4.2065 4.2065 5.4548 5.4548 6.1320 6.1320 6.5830 6.5830 7.2039 7.2039 10.3218 10.3218 10.9238 10.9238 11.3452 11.3452 11.5947 11.5947 k = 0.2340 0.4054-0.0000 ( 3618 PWs) bands (ev): -19.3655 -19.3655 -6.1626 -6.1626 -4.3766 -4.3766 -4.1662 -4.1662 -2.2763 -2.2763 -2.1607 -2.1607 -0.7162 -0.7162 -0.6656 -0.6656 -0.5799 -0.5799 -0.3571 -0.3571 -0.0204 -0.0204 -0.0083 -0.0083 0.0430 0.0430 0.1077 0.1077 0.3160 0.3160 0.5513 0.5513 4.1020 4.1020 4.2590 4.2590 5.5117 5.5117 6.1030 6.1030 6.5915 6.5915 7.2457 7.2457 10.2728 10.2728 10.8817 10.8817 11.3315 11.3315 11.6519 11.6519 k = 0.2270 0.3931-0.0000 ( 3620 PWs) bands (ev): -19.3663 -19.3663 -6.1599 -6.1599 -4.3741 -4.3741 -4.1627 -4.1627 -2.2783 -2.2783 -2.1666 -2.1666 -0.7167 -0.7167 -0.6675 -0.6675 -0.5819 -0.5819 -0.3663 -0.3663 -0.0230 -0.0230 -0.0075 -0.0075 0.0420 0.0420 0.1059 0.1059 0.3004 0.3004 0.5456 0.5456 4.1370 4.1370 4.3157 4.3157 5.5634 5.5634 6.0825 6.0825 6.6031 6.6031 7.2883 7.2883 10.2251 10.2251 10.8410 10.8410 11.3138 11.3138 11.7036 11.7036 k = 0.2199 0.3808-0.0000 ( 3620 PWs) bands (ev): -19.3672 -19.3672 -6.1571 -6.1571 -4.3713 -4.3713 -4.1591 -4.1591 -2.2812 -2.2812 -2.1721 -2.1721 -0.7172 -0.7172 -0.6695 -0.6695 -0.5845 -0.5845 -0.3758 -0.3758 -0.0259 -0.0259 -0.0062 -0.0062 0.0405 0.0405 0.1040 0.1040 0.2858 0.2858 0.5397 0.5397 4.1726 4.1726 4.3766 4.3766 5.6076 5.6076 6.0737 6.0737 6.6181 6.6181 7.3317 7.3317 10.1787 10.1787 10.8016 10.8016 11.2918 11.2918 11.7464 11.7464 k = 0.2128 0.3685-0.0000 ( 3618 PWs) bands (ev): -19.3681 -19.3681 -6.1540 -6.1540 -4.3683 -4.3683 -4.1553 -4.1553 -2.2855 -2.2855 -2.1769 -2.1769 -0.7179 -0.7179 -0.6714 -0.6714 -0.5879 -0.5879 -0.3854 -0.3854 -0.0289 -0.0289 -0.0047 -0.0047 0.0383 0.0383 0.1021 0.1021 0.2724 0.2724 0.5335 0.5335 4.2078 4.2078 4.4415 4.4415 5.6422 5.6422 6.0795 6.0795 6.6367 6.6367 7.3757 7.3757 10.1341 10.1341 10.7635 10.7635 11.2655 11.2655 11.7766 11.7766 k = 0.2057 0.3562-0.0000 ( 3622 PWs) bands (ev): -19.3690 -19.3690 -6.1508 -6.1508 -4.3652 -4.3652 -4.1514 -4.1514 -2.2917 -2.2917 -2.1805 -2.1805 -0.7187 -0.7187 -0.6734 -0.6734 -0.5921 -0.5921 -0.3951 -0.3951 -0.0321 -0.0321 -0.0031 -0.0031 0.0351 0.0351 0.1006 0.1006 0.2604 0.2604 0.5270 0.5270 4.2415 4.2415 4.5103 4.5103 5.6671 5.6671 6.1008 6.1008 6.6589 6.6589 7.4202 7.4202 10.0912 10.0912 10.7263 10.7263 11.2352 11.2352 11.7903 11.7903 k = 0.1986 0.3440-0.0000 ( 3606 PWs) bands (ev): -19.3700 -19.3700 -6.1475 -6.1475 -4.3619 -4.3619 -4.1473 -4.1473 -2.3002 -2.3002 -2.1824 -2.1824 -0.7196 -0.7196 -0.6754 -0.6754 -0.5970 -0.5970 -0.4047 -0.4047 -0.0352 -0.0352 -0.0014 -0.0014 0.0307 0.0307 0.0999 0.0999 0.2499 0.2499 0.5202 0.5202 4.2723 4.2723 4.5827 4.5827 5.6850 5.6850 6.1362 6.1362 6.6849 6.6849 7.4649 7.4649 10.0503 10.0503 10.6900 10.6900 11.2010 11.2010 11.7851 11.7851 k = 0.1915 0.3317-0.0000 ( 3618 PWs) bands (ev): -19.3710 -19.3710 -6.1440 -6.1440 -4.3585 -4.3585 -4.1429 -4.1429 -2.3111 -2.3111 -2.1825 -2.1825 -0.7207 -0.7207 -0.6773 -0.6773 -0.6028 -0.6028 -0.4140 -0.4140 -0.0383 -0.0383 0.0003 0.0003 0.0252 0.0252 0.1002 0.1002 0.2407 0.2407 0.5132 0.5132 4.2989 4.2989 4.6586 4.6586 5.7003 5.7003 6.1820 6.1820 6.7148 6.7148 7.5098 7.5098 10.0113 10.0113 10.6542 10.6542 11.1636 11.1636 11.7604 11.7604 k = 0.1844 0.3194-0.0000 ( 3621 PWs) bands (ev): -19.3721 -19.3721 -6.1404 -6.1404 -4.3551 -4.3551 -4.1380 -4.1380 -2.3244 -2.3244 -2.1810 -2.1810 -0.7219 -0.7219 -0.6793 -0.6793 -0.6093 -0.6093 -0.4230 -0.4230 -0.0414 -0.0414 0.0018 0.0018 0.0189 0.0189 0.1014 0.1014 0.2328 0.2328 0.5059 0.5059 4.3201 4.3201 4.7378 4.7378 5.7177 5.7177 6.2349 6.2349 6.7486 6.7486 7.5547 7.5547 9.9742 9.9742 10.6183 10.6183 11.1235 11.1235 11.7187 11.7187 k = 0.1773 0.3071-0.0000 ( 3629 PWs) bands (ev): -19.3732 -19.3732 -6.1367 -6.1367 -4.3518 -4.3518 -4.1327 -4.1327 -2.3398 -2.3398 -2.1781 -2.1781 -0.7232 -0.7232 -0.6813 -0.6813 -0.6164 -0.6164 -0.4314 -0.4314 -0.0445 -0.0445 0.0029 0.0029 0.0122 0.0122 0.1035 0.1035 0.2260 0.2260 0.4984 0.4984 4.3348 4.3348 4.8202 4.8202 5.7408 5.7408 6.2918 6.2918 6.7866 6.7866 7.5995 7.5995 9.9389 9.9389 10.5818 10.5818 11.0813 11.0813 11.6640 11.6640 k = 0.1702 0.2948-0.0000 ( 3627 PWs) bands (ev): -19.3743 -19.3743 -6.1330 -6.1330 -4.3486 -4.3486 -4.1269 -4.1269 -2.3572 -2.3572 -2.1738 -2.1738 -0.7247 -0.7247 -0.6832 -0.6832 -0.6242 -0.6242 -0.4394 -0.4394 -0.0474 -0.0474 0.0014 0.0014 0.0078 0.0078 0.1064 0.1064 0.2201 0.2201 0.4907 0.4907 4.3424 4.3424 4.9055 4.9055 5.7720 5.7720 6.3506 6.3506 6.8285 6.8285 7.6440 7.6440 9.9052 9.9052 10.5438 10.5438 11.0378 11.0378 11.6006 11.6006 k = 0.1631 0.2825-0.0000 ( 3633 PWs) bands (ev): -19.3754 -19.3754 -6.1293 -6.1293 -4.3455 -4.3455 -4.1204 -4.1204 -2.3761 -2.3761 -2.1687 -2.1687 -0.7263 -0.7263 -0.6852 -0.6852 -0.6323 -0.6323 -0.4467 -0.4467 -0.0504 -0.0504 -0.0047 -0.0047 0.0080 0.0080 0.1099 0.1099 0.2149 0.2149 0.4829 0.4829 4.3426 4.3426 4.9936 4.9936 5.8130 5.8130 6.4099 6.4099 6.8746 6.8746 7.6880 7.6880 9.8727 9.8727 10.5034 10.5034 10.9935 10.9935 11.5329 11.5329 k = 0.1560 0.2702-0.0000 ( 3633 PWs) bands (ev): -19.3765 -19.3765 -6.1256 -6.1256 -4.3427 -4.3427 -4.1133 -4.1133 -2.3965 -2.3965 -2.1628 -2.1628 -0.7281 -0.7281 -0.6873 -0.6873 -0.6408 -0.6408 -0.4535 -0.4535 -0.0532 -0.0532 -0.0118 -0.0118 0.0091 0.0091 0.1139 0.1139 0.2102 0.2102 0.4750 0.4750 4.3356 4.3356 5.0843 5.0843 5.8641 5.8641 6.4685 6.4685 6.9246 6.9246 7.7314 7.7314 9.8412 9.8412 10.4593 10.4593 10.9490 10.9490 11.4647 11.4647 k = 0.1489 0.2580-0.0000 ( 3633 PWs) bands (ev): -19.3777 -19.3777 -6.1219 -6.1219 -4.3401 -4.3401 -4.1054 -4.1054 -2.4179 -2.4179 -2.1563 -2.1563 -0.7300 -0.7300 -0.6894 -0.6894 -0.6493 -0.6493 -0.4596 -0.4596 -0.0560 -0.0560 -0.0187 -0.0187 0.0103 0.0103 0.1182 0.1182 0.2061 0.2061 0.4671 0.4671 4.3220 4.3220 5.1774 5.1774 5.9255 5.9255 6.5257 6.5257 6.9786 6.9786 7.7740 7.7740 9.8101 9.8101 10.4101 10.4101 10.9049 10.9049 11.3991 11.3991 k = 0.1418 0.2457-0.0000 ( 3641 PWs) bands (ev): -19.3788 -19.3788 -6.1183 -6.1183 -4.3378 -4.3378 -4.0969 -4.0969 -2.4404 -2.4404 -2.1494 -2.1494 -0.7321 -0.7321 -0.6919 -0.6919 -0.6575 -0.6575 -0.4652 -0.4652 -0.0587 -0.0587 -0.0251 -0.0251 0.0114 0.0114 0.1228 0.1228 0.2023 0.2023 0.4592 0.4592 4.3028 4.3028 5.2728 5.2728 5.9965 5.9965 6.5809 6.5809 7.0364 7.0364 7.8156 7.8156 9.7789 9.7789 10.3544 10.3544 10.8616 10.8616 11.3391 11.3391 k = 0.1348 0.2334-0.0000 ( 3645 PWs) bands (ev): -19.3800 -19.3800 -6.1147 -6.1147 -4.3357 -4.3357 -4.0876 -4.0876 -2.4636 -2.4636 -2.1423 -2.1423 -0.7343 -0.7343 -0.6947 -0.6947 -0.6652 -0.6652 -0.4703 -0.4703 -0.0613 -0.0613 -0.0309 -0.0309 0.0125 0.0125 0.1275 0.1275 0.1988 0.1988 0.4514 0.4514 4.2788 4.2788 5.3702 5.3702 6.0765 6.0765 6.6335 6.6335 7.0979 7.0979 7.8560 7.8560 9.7471 9.7471 10.2912 10.2912 10.8194 10.8194 11.2868 11.2868 k = 0.1277 0.2211-0.0000 ( 3649 PWs) bands (ev): -19.3811 -19.3811 -6.1113 -6.1113 -4.3340 -4.3340 -4.0776 -4.0776 -2.4873 -2.4873 -2.1350 -2.1350 -0.7367 -0.7367 -0.6983 -0.6983 -0.6720 -0.6720 -0.4749 -0.4749 -0.0639 -0.0639 -0.0360 -0.0360 0.0134 0.0134 0.1322 0.1322 0.1955 0.1955 0.4437 0.4437 4.2511 4.2511 5.4694 5.4694 6.1645 6.1645 6.6832 6.6832 7.1629 7.1629 7.8951 7.8951 9.7140 9.7140 10.2196 10.2196 10.7784 10.7784 11.2439 11.2439 k = 0.1206 0.2088-0.0000 ( 3645 PWs) bands (ev): -19.3822 -19.3822 -6.1079 -6.1079 -4.3325 -4.3325 -4.0670 -4.0670 -2.5115 -2.5115 -2.1276 -2.1276 -0.7392 -0.7392 -0.7028 -0.7028 -0.6774 -0.6774 -0.4790 -0.4790 -0.0664 -0.0664 -0.0403 -0.0403 0.0141 0.0141 0.1368 0.1368 0.1926 0.1926 0.4363 0.4363 4.2208 4.2208 5.5702 5.5702 6.2597 6.2597 6.7299 6.7299 7.2312 7.2312 7.9327 7.9327 9.6792 9.6792 10.1395 10.1395 10.7386 10.7386 11.2110 11.2110 k = 0.1135 0.1965-0.0000 ( 3649 PWs) bands (ev): -19.3833 -19.3833 -6.1048 -6.1048 -4.3314 -4.3314 -4.0558 -4.0558 -2.5358 -2.5358 -2.1203 -2.1203 -0.7417 -0.7417 -0.7083 -0.7083 -0.6814 -0.6814 -0.4826 -0.4826 -0.0688 -0.0688 -0.0439 -0.0439 0.0147 0.0147 0.1411 0.1411 0.1899 0.1899 0.4290 0.4290 4.1886 4.1886 5.6725 5.6725 6.3613 6.3613 6.7732 6.7732 7.3023 7.3023 7.9686 7.9686 9.6421 9.6421 10.0515 10.0515 10.6997 10.6997 11.1881 11.1881 k = 0.1064 0.1843-0.0000 ( 3649 PWs) bands (ev): -19.3843 -19.3843 -6.1017 -6.1017 -4.3304 -4.3304 -4.0440 -4.0440 -2.5602 -2.5602 -2.1131 -2.1131 -0.7443 -0.7443 -0.7143 -0.7143 -0.6843 -0.6843 -0.4859 -0.4859 -0.0712 -0.0712 -0.0468 -0.0468 0.0151 0.0151 0.1449 0.1449 0.1878 0.1878 0.4221 0.4221 4.1554 4.1554 5.7760 5.7760 6.4685 6.4685 6.8131 6.8131 7.3760 7.3760 8.0028 8.0028 9.6022 9.6022 9.9565 9.9565 10.6615 10.6615 11.1748 11.1748 k = 0.0993 0.1720-0.0000 ( 3653 PWs) bands (ev): -19.3853 -19.3853 -6.0989 -6.0989 -4.3297 -4.3297 -4.0319 -4.0319 -2.5844 -2.5844 -2.1061 -2.1061 -0.7470 -0.7470 -0.7206 -0.7206 -0.6863 -0.6863 -0.4888 -0.4888 -0.0735 -0.0735 -0.0489 -0.0489 0.0153 0.0153 0.1479 0.1479 0.1862 0.1862 0.4155 0.4155 4.1219 4.1219 5.8804 5.8804 6.5805 6.5805 6.8497 6.8497 7.4516 7.4516 8.0352 8.0352 9.5592 9.5592 9.8559 9.8559 10.6236 10.6236 11.1700 11.1700 k = 0.0922 0.1597-0.0000 ( 3655 PWs) bands (ev): -19.3863 -19.3863 -6.0962 -6.0962 -4.3292 -4.3292 -4.0195 -4.0195 -2.6082 -2.6082 -2.0993 -2.0993 -0.7496 -0.7496 -0.7268 -0.7268 -0.6879 -0.6879 -0.4914 -0.4914 -0.0757 -0.0757 -0.0503 -0.0503 0.0152 0.0152 0.1500 0.1500 0.1854 0.1854 0.4093 0.4093 4.0886 4.0886 5.9856 5.9856 6.6968 6.6968 6.8830 6.8830 7.5286 7.5286 8.0656 8.0656 9.5127 9.5127 9.7510 9.7510 10.5854 10.5854 11.1722 11.1722 k = 0.0851 0.1474-0.0000 ( 3657 PWs) bands (ev): -19.3872 -19.3872 -6.0937 -6.0937 -4.3289 -4.3289 -4.0070 -4.0070 -2.6315 -2.6315 -2.0929 -2.0929 -0.7523 -0.7523 -0.7327 -0.7327 -0.6891 -0.6891 -0.4936 -0.4936 -0.0778 -0.0778 -0.0511 -0.0511 0.0150 0.0150 0.1508 0.1508 0.1857 0.1857 0.4036 0.4036 4.0562 4.0562 6.0911 6.0911 6.8162 6.8162 6.9134 6.9134 7.6062 7.6062 8.0940 8.0940 9.4624 9.4624 9.6435 9.6435 10.5469 10.5469 11.1798 11.1798 k = 0.0780 0.1351-0.0000 ( 3655 PWs) bands (ev): -19.3881 -19.3881 -6.0914 -6.0914 -4.3287 -4.3287 -3.9945 -3.9945 -2.6540 -2.6540 -2.0868 -2.0868 -0.7549 -0.7549 -0.7383 -0.7383 -0.6900 -0.6900 -0.4956 -0.4956 -0.0797 -0.0797 -0.0512 -0.0512 0.0145 0.0145 0.1505 0.1505 0.1868 0.1868 0.3983 0.3983 4.0249 4.0249 6.1965 6.1965 6.9281 6.9281 6.9512 6.9512 7.6834 7.6834 8.1204 8.1204 9.4078 9.4078 9.5350 9.5350 10.5077 10.5077 11.1906 11.1906 k = 0.0709 0.1228-0.0000 ( 3647 PWs) bands (ev): -19.3889 -19.3889 -6.0893 -6.0893 -4.3286 -4.3286 -3.9822 -3.9822 -2.6755 -2.6755 -2.0811 -2.0811 -0.7574 -0.7574 -0.7433 -0.7433 -0.6908 -0.6908 -0.4973 -0.4973 -0.0816 -0.0816 -0.0508 -0.0508 0.0138 0.0138 0.1493 0.1493 0.1887 0.1887 0.3935 0.3935 3.9953 3.9953 6.3014 6.3014 6.9610 6.9610 7.0676 7.0676 7.7591 7.7591 8.1450 8.1450 9.3483 9.3483 9.4274 9.4274 10.4679 10.4679 11.2015 11.2015 k = 0.0638 0.1106-0.0000 ( 3647 PWs) bands (ev): -19.3896 -19.3896 -6.0874 -6.0874 -4.3286 -4.3286 -3.9703 -3.9703 -2.6958 -2.6958 -2.0758 -2.0758 -0.7598 -0.7598 -0.7478 -0.7478 -0.6914 -0.6914 -0.4988 -0.4988 -0.0833 -0.0833 -0.0498 -0.0498 0.0128 0.0128 0.1474 0.1474 0.1909 0.1909 0.3892 0.3892 3.9676 3.9676 6.4051 6.4051 6.9826 6.9826 7.1944 7.1944 7.8318 7.8318 8.1679 8.1679 9.2820 9.2820 9.3238 9.3238 10.4277 10.4277 11.2077 11.2077 k = 0.0567 0.0983-0.0000 ( 3651 PWs) bands (ev): -19.3903 -19.3903 -6.0857 -6.0857 -4.3287 -4.3287 -3.9589 -3.9589 -2.7148 -2.7148 -2.0711 -2.0711 -0.7621 -0.7621 -0.7518 -0.7518 -0.6919 -0.6919 -0.5001 -0.5001 -0.0848 -0.0848 -0.0485 -0.0485 0.0116 0.0116 0.1451 0.1451 0.1934 0.1934 0.3855 0.3855 3.9421 3.9421 6.5067 6.5067 7.0014 7.0014 7.3226 7.3226 7.8996 7.8996 8.1894 8.1894 9.2029 9.2029 9.2316 9.2316 10.3873 10.3873 11.2017 11.2017 k = 0.0496 0.0860-0.0000 ( 3655 PWs) bands (ev): -19.3909 -19.3909 -6.0842 -6.0842 -4.3288 -4.3288 -3.9483 -3.9483 -2.7322 -2.7322 -2.0668 -2.0668 -0.7643 -0.7643 -0.7553 -0.7553 -0.6923 -0.6923 -0.5011 -0.5011 -0.0861 -0.0861 -0.0467 -0.0467 0.0102 0.0102 0.1428 0.1428 0.1957 0.1957 0.3822 0.3822 3.9191 3.9191 6.6050 6.6050 7.0181 7.0181 7.4510 7.4510 7.9604 7.9604 8.2099 8.2099 9.1128 9.1128 9.1512 9.1512 10.3475 10.3475 11.1702 11.1702 k = 0.0426 0.0737-0.0000 ( 3655 PWs) bands (ev): -19.3915 -19.3915 -6.0829 -6.0829 -4.3289 -4.3289 -3.9385 -3.9385 -2.7478 -2.7478 -2.0631 -2.0631 -0.7662 -0.7662 -0.7583 -0.7583 -0.6926 -0.6926 -0.5020 -0.5020 -0.0873 -0.0873 -0.0447 -0.0447 0.0086 0.0086 0.1404 0.1404 0.1979 0.1979 0.3794 0.3794 3.8987 3.8987 6.6983 6.6983 7.0334 7.0334 7.5781 7.5781 8.0123 8.0123 8.2299 8.2299 9.0259 9.0259 9.0702 9.0702 10.3093 10.3093 11.1123 11.1123 k = 0.0355 0.0614-0.0000 ( 3659 PWs) bands (ev): -19.3919 -19.3919 -6.0818 -6.0818 -4.3290 -4.3290 -3.9299 -3.9299 -2.7613 -2.7613 -2.0599 -2.0599 -0.7678 -0.7678 -0.7608 -0.7608 -0.6929 -0.6929 -0.5027 -0.5027 -0.0883 -0.0883 -0.0426 -0.0426 0.0069 0.0069 0.1382 0.1382 0.1999 0.1999 0.3771 0.3771 3.8812 3.8812 6.7841 6.7841 7.0481 7.0481 7.7012 7.7012 8.0546 8.0546 8.2494 8.2494 8.9473 8.9473 8.9866 8.9866 10.2739 10.2739 11.0529 11.0529 k = 0.0284 0.0491-0.0000 ( 3661 PWs) bands (ev): -19.3923 -19.3923 -6.0809 -6.0809 -4.3291 -4.3291 -3.9226 -3.9226 -2.7727 -2.7727 -2.0572 -2.0572 -0.7692 -0.7692 -0.7628 -0.7628 -0.6931 -0.6931 -0.5032 -0.5032 -0.0892 -0.0892 -0.0404 -0.0404 0.0052 0.0052 0.1363 0.1363 0.2016 0.2016 0.3752 0.3752 3.8667 3.8667 6.8589 6.8589 7.0635 7.0635 7.8152 7.8152 8.0903 8.0903 8.2678 8.2678 8.8712 8.8712 8.9092 8.9092 10.2426 10.2426 11.0011 11.0011 k = 0.0213 0.0369-0.0000 ( 3655 PWs) bands (ev): -19.3926 -19.3926 -6.0802 -6.0802 -4.3292 -4.3292 -3.9167 -3.9167 -2.7818 -2.7818 -2.0552 -2.0552 -0.7703 -0.7703 -0.7644 -0.7644 -0.6933 -0.6933 -0.5037 -0.5037 -0.0898 -0.0898 -0.0384 -0.0384 0.0035 0.0035 0.1347 0.1347 0.2029 0.2029 0.3738 0.3738 3.8553 3.8553 6.9178 6.9178 7.0812 7.0812 7.9085 7.9085 8.1298 8.1298 8.2845 8.2845 8.7821 8.7821 8.8559 8.8559 10.2166 10.2166 10.9590 10.9590 k = 0.0142 0.0246-0.0000 ( 3663 PWs) bands (ev): -19.3928 -19.3928 -6.0797 -6.0797 -4.3293 -4.3293 -3.9124 -3.9124 -2.7883 -2.7883 -2.0537 -2.0537 -0.7711 -0.7711 -0.7655 -0.7655 -0.6934 -0.6934 -0.5040 -0.5040 -0.0903 -0.0903 -0.0367 -0.0367 0.0021 0.0021 0.1336 0.1336 0.2038 0.2038 0.3728 0.3728 3.8471 3.8471 6.9574 6.9574 7.1011 7.1011 7.9655 7.9655 8.1863 8.1863 8.3018 8.3018 8.6856 8.6856 8.8238 8.8238 10.1972 10.1972 10.9277 10.9277 k = 0.0071 0.0123-0.0000 ( 3667 PWs) bands (ev): -19.3930 -19.3930 -6.0795 -6.0795 -4.3294 -4.3294 -3.9098 -3.9098 -2.7923 -2.7923 -2.0528 -2.0528 -0.7716 -0.7716 -0.7661 -0.7661 -0.6935 -0.6935 -0.5041 -0.5041 -0.0906 -0.0906 -0.0356 -0.0356 0.0012 0.0012 0.1329 0.1329 0.2044 0.2044 0.3722 0.3722 3.8422 3.8422 6.9783 6.9783 7.1181 7.1181 7.9885 7.9885 8.2413 8.2413 8.3318 8.3318 8.5943 8.5943 8.8066 8.8066 10.1853 10.1853 10.9083 10.9083 k = 0.0000 0.0000 0.0000 ( 3671 PWs) bands (ev): -19.3930 -19.3930 -6.0794 -6.0794 -4.3294 -4.3294 -3.9090 -3.9090 -2.7936 -2.7936 -2.0525 -2.0525 -0.7718 -0.7718 -0.7664 -0.7664 -0.6935 -0.6935 -0.5042 -0.5042 -0.0907 -0.0907 -0.0352 -0.0352 0.0008 0.0008 0.1326 0.1326 0.2046 0.2046 0.3720 0.3720 3.8405 3.8405 6.9846 6.9846 7.1249 7.1249 7.9938 7.9938 8.2588 8.2588 8.3625 8.3625 8.5456 8.5456 8.8013 8.8013 10.1812 10.1812 10.9017 10.9017 k = 0.0000 0.0000 0.0000 ( 3671 PWs) bands (ev): -19.3930 -19.3930 -6.0794 -6.0794 -4.3294 -4.3294 -3.9090 -3.9090 -2.7936 -2.7936 -2.0525 -2.0525 -0.7718 -0.7718 -0.7664 -0.7664 -0.6935 -0.6935 -0.5042 -0.5042 -0.0907 -0.0907 -0.0352 -0.0352 0.0008 0.0008 0.1326 0.1326 0.2046 0.2046 0.3720 0.3720 3.8405 3.8405 6.9846 6.9846 7.1249 7.1249 7.9938 7.9938 8.2588 8.2588 8.3625 8.3625 8.5456 8.5456 8.8013 8.8013 10.1812 10.1812 10.9017 10.9017 k = 0.0000 0.0000 0.0140 ( 3671 PWs) bands (ev): -19.3930 -19.3930 -6.0794 -6.0794 -4.3296 -4.3296 -3.9090 -3.9090 -2.7924 -2.7924 -2.0529 -2.0529 -0.7718 -0.7718 -0.7663 -0.7663 -0.6935 -0.6935 -0.5044 -0.5044 -0.0906 -0.0906 -0.0352 -0.0352 0.0004 0.0004 0.1327 0.1327 0.2046 0.2046 0.3710 0.3710 3.8435 3.8435 6.9858 6.9858 7.1261 7.1261 7.9798 7.9798 8.2436 8.2436 8.3596 8.3596 8.5626 8.5626 8.8103 8.8103 10.1841 10.1841 10.9032 10.9032 k = 0.0000 0.0000 0.0280 ( 3671 PWs) bands (ev): -19.3930 -19.3930 -6.0795 -6.0795 -4.3304 -4.3304 -3.9090 -3.9090 -2.7888 -2.7888 -2.0541 -2.0541 -0.7718 -0.7718 -0.7663 -0.7663 -0.6934 -0.6934 -0.5052 -0.5052 -0.0905 -0.0905 -0.0351 -0.0351 -0.0010 -0.0010 0.1328 0.1328 0.2044 0.2044 0.3681 0.3681 3.8526 3.8526 6.9892 6.9892 7.1296 7.1296 7.9384 7.9384 8.2111 8.2111 8.3512 8.3512 8.5975 8.5975 8.8400 8.8400 10.1928 10.1928 10.9075 10.9075 k = 0.0000 0.0000 0.0419 ( 3665 PWs) bands (ev): -19.3930 -19.3930 -6.0797 -6.0797 -4.3316 -4.3316 -3.9090 -3.9090 -2.7828 -2.7828 -2.0561 -2.0561 -0.7717 -0.7717 -0.7663 -0.7663 -0.6933 -0.6933 -0.5065 -0.5065 -0.0903 -0.0903 -0.0350 -0.0350 -0.0033 -0.0033 0.1330 0.1330 0.2042 0.2042 0.3634 0.3634 3.8675 3.8675 6.9948 6.9948 7.1355 7.1355 7.8732 7.8732 8.1771 8.1771 8.3375 8.3375 8.6272 8.6272 8.8937 8.8937 10.2076 10.2076 10.9141 10.9141 k = 0.0000 0.0000 0.0559 ( 3653 PWs) bands (ev): -19.3930 -19.3930 -6.0799 -6.0799 -4.3333 -4.3333 -3.9090 -3.9090 -2.7746 -2.7746 -2.0590 -2.0590 -0.7717 -0.7717 -0.7662 -0.7662 -0.6931 -0.6931 -0.5083 -0.5083 -0.0901 -0.0901 -0.0348 -0.0348 -0.0065 -0.0065 0.1332 0.1332 0.2039 0.2039 0.3571 0.3571 3.8880 3.8880 7.0028 7.0028 7.1438 7.1438 7.7915 7.7915 8.1454 8.1454 8.3186 8.3186 8.6447 8.6447 8.9674 8.9674 10.2288 10.2288 10.9223 10.9223 k = 0.0000 0.0000 0.0699 ( 3659 PWs) bands (ev): -19.3930 -19.3930 -6.0802 -6.0802 -4.3353 -4.3353 -3.9090 -3.9090 -2.7642 -2.7642 -2.0626 -2.0626 -0.7717 -0.7717 -0.7661 -0.7661 -0.6929 -0.6929 -0.5107 -0.5107 -0.0898 -0.0898 -0.0346 -0.0346 -0.0106 -0.0106 0.1336 0.1336 0.2036 0.2036 0.3494 0.3494 3.9138 3.9138 7.0129 7.0129 7.1543 7.1543 7.7003 7.7003 8.1144 8.1144 8.2949 8.2949 8.6529 8.6529 9.0527 9.0527 10.2568 10.2568 10.9312 10.9312 k = 0.0000 0.0000 0.0839 ( 3641 PWs) bands (ev): -19.3930 -19.3930 -6.0806 -6.0806 -4.3377 -4.3377 -3.9090 -3.9090 -2.7518 -2.7518 -2.0671 -2.0671 -0.7717 -0.7717 -0.7659 -0.7659 -0.6926 -0.6926 -0.5135 -0.5135 -0.0894 -0.0894 -0.0343 -0.0343 -0.0154 -0.0154 0.1340 0.1340 0.2031 0.2031 0.3406 0.3406 3.9445 3.9445 7.0252 7.0252 7.1672 7.1672 7.6043 7.6043 8.0825 8.0825 8.2670 8.2670 8.6557 8.6557 9.1423 9.1423 10.2923 10.2923 10.9399 10.9399 k = 0.0000 0.0000 0.0978 ( 3647 PWs) bands (ev): -19.3930 -19.3930 -6.0809 -6.0809 -4.3404 -4.3404 -3.9090 -3.9090 -2.7376 -2.7376 -2.0724 -2.0724 -0.7717 -0.7717 -0.7658 -0.7658 -0.6923 -0.6923 -0.5167 -0.5167 -0.0890 -0.0890 -0.0340 -0.0340 -0.0211 -0.0211 0.1344 0.1344 0.2027 0.2027 0.3310 0.3310 3.9796 3.9796 7.0396 7.0396 7.1823 7.1823 7.5065 7.5065 8.0489 8.0489 8.2353 8.2353 8.6553 8.6553 9.2316 9.2316 10.3360 10.3360 10.9474 10.9474 k = 0.0000 0.0000 0.1118 ( 3647 PWs) bands (ev): -19.3930 -19.3930 -6.0814 -6.0814 -4.3433 -4.3433 -3.9091 -3.9091 -2.7217 -2.7217 -2.0785 -2.0785 -0.7717 -0.7717 -0.7656 -0.7656 -0.6919 -0.6919 -0.5204 -0.5204 -0.0886 -0.0886 -0.0337 -0.0337 -0.0273 -0.0273 0.1349 0.1349 0.2021 0.2021 0.3209 0.3209 4.0184 4.0184 7.0559 7.0559 7.1997 7.1997 7.4088 7.4088 8.0132 8.0132 8.2002 8.2002 8.6530 8.6530 9.3176 9.3176 10.3885 10.3885 10.9530 10.9530 k = 0.0000 0.0000 0.1258 ( 3641 PWs) bands (ev): -19.3930 -19.3930 -6.0818 -6.0818 -4.3463 -4.3463 -3.9091 -3.9091 -2.7045 -2.7045 -2.0853 -2.0853 -0.7717 -0.7717 -0.7654 -0.7654 -0.6916 -0.6916 -0.5245 -0.5245 -0.0881 -0.0881 -0.0341 -0.0341 -0.0333 -0.0333 0.1354 0.1354 0.2016 0.2016 0.3107 0.3107 4.0604 4.0604 7.0739 7.0739 7.2192 7.2192 7.3130 7.3130 7.9755 7.9755 8.1624 8.1624 8.6495 8.6495 9.3980 9.3980 10.4504 10.4504 10.9565 10.9565 k = 0.0000 0.0000 0.1398 ( 3653 PWs) bands (ev): -19.3930 -19.3930 -6.0823 -6.0823 -4.3494 -4.3494 -3.9091 -3.9091 -2.6861 -2.6861 -2.0929 -2.0929 -0.7717 -0.7717 -0.7652 -0.7652 -0.6912 -0.6912 -0.5289 -0.5289 -0.0877 -0.0877 -0.0414 -0.0414 -0.0329 -0.0329 0.1359 0.1359 0.2010 0.2010 0.3006 0.3006 4.1048 4.1048 7.0920 7.0920 7.2215 7.2215 7.2409 7.2409 7.9359 7.9359 8.1222 8.1222 8.6454 8.6454 9.4713 9.4713 10.5220 10.5220 10.9576 10.9576 k = 0.0000 0.0000 0.1537 ( 3653 PWs) bands (ev): -19.3930 -19.3930 -6.0828 -6.0828 -4.3525 -4.3525 -3.9091 -3.9091 -2.6669 -2.6669 -2.1012 -2.1012 -0.7718 -0.7718 -0.7650 -0.7650 -0.6908 -0.6908 -0.5336 -0.5336 -0.0872 -0.0872 -0.0488 -0.0488 -0.0326 -0.0326 0.1365 0.1365 0.2004 0.2004 0.2908 0.2908 4.1508 4.1508 7.0946 7.0946 7.1506 7.1506 7.2646 7.2646 7.8949 7.8949 8.0803 8.0803 8.6408 8.6408 9.5366 9.5366 10.6030 10.6030 10.9568 10.9568 k = 0.0000 0.0000 0.1677 ( 3658 PWs) bands (ev): -19.3930 -19.3930 -6.0833 -6.0833 -4.3556 -4.3556 -3.9092 -3.9092 -2.6472 -2.6472 -2.1101 -2.1101 -0.7718 -0.7718 -0.7648 -0.7648 -0.6904 -0.6904 -0.5384 -0.5384 -0.0868 -0.0868 -0.0562 -0.0562 -0.0322 -0.0322 0.1370 0.1370 0.1998 0.1998 0.2816 0.2816 4.1976 4.1976 7.0297 7.0297 7.1534 7.1534 7.2903 7.2903 7.8526 7.8526 8.0370 8.0370 8.6361 8.6361 9.5936 9.5936 10.6924 10.6924 10.9545 10.9545 k = 0.0000 0.0000 0.1817 ( 3664 PWs) bands (ev): -19.3930 -19.3930 -6.0837 -6.0837 -4.3585 -4.3585 -3.9092 -3.9092 -2.6274 -2.6274 -2.1195 -2.1195 -0.7718 -0.7718 -0.7646 -0.7646 -0.6900 -0.6900 -0.5433 -0.5433 -0.0865 -0.0865 -0.0635 -0.0635 -0.0318 -0.0318 0.1376 0.1376 0.1992 0.1992 0.2732 0.2732 4.2441 4.2441 6.9506 6.9506 7.1773 7.1773 7.3179 7.3179 7.8094 7.8094 7.9928 7.9928 8.6315 8.6315 9.6425 9.6425 10.7882 10.7882 10.9521 10.9521 k = 0.0000 0.0000 0.1957 ( 3658 PWs) bands (ev): -19.3930 -19.3930 -6.0841 -6.0841 -4.3612 -4.3612 -3.9092 -3.9092 -2.6079 -2.6079 -2.1291 -2.1291 -0.7719 -0.7719 -0.7644 -0.7644 -0.6896 -0.6896 -0.5481 -0.5481 -0.0864 -0.0864 -0.0702 -0.0702 -0.0315 -0.0315 0.1381 0.1381 0.1987 0.1987 0.2655 0.2655 4.2893 4.2893 6.8752 6.8752 7.2051 7.2051 7.3472 7.3472 7.7658 7.7658 7.9481 7.9481 8.6270 8.6270 9.6838 9.6838 10.8831 10.8831 10.9557 10.9557 k = 0.0000 0.0000 0.2097 ( 3658 PWs) bands (ev): -19.3930 -19.3930 -6.0845 -6.0845 -4.3637 -4.3637 -3.9092 -3.9092 -2.5892 -2.5892 -2.1387 -2.1387 -0.7719 -0.7719 -0.7642 -0.7642 -0.6892 -0.6892 -0.5527 -0.5527 -0.0868 -0.0868 -0.0760 -0.0760 -0.0312 -0.0312 0.1386 0.1386 0.1982 0.1982 0.2588 0.2588 4.3321 4.3321 6.8063 6.8063 7.2352 7.2352 7.3781 7.3781 7.7219 7.7219 7.9034 7.9034 8.6229 8.6229 9.7180 9.7180 10.9259 10.9259 10.9790 10.9790 k = 0.0000 0.0000 0.2236 ( 3646 PWs) bands (ev): -19.3930 -19.3930 -6.0849 -6.0849 -4.3659 -4.3659 -3.9093 -3.9093 -2.5717 -2.5717 -2.1481 -2.1481 -0.7719 -0.7719 -0.7640 -0.7640 -0.6888 -0.6888 -0.5569 -0.5569 -0.0883 -0.0883 -0.0800 -0.0800 -0.0309 -0.0309 0.1390 0.1390 0.1977 0.1977 0.2531 0.2531 4.3713 4.3713 6.7450 6.7450 7.2672 7.2672 7.4102 7.4102 7.6781 7.6781 7.8593 7.8593 8.6193 8.6193 9.7459 9.7459 10.9265 10.9265 10.9715 10.9715 k = 0.0000 0.0000 0.2376 ( 3634 PWs) bands (ev): -19.3930 -19.3930 -6.0852 -6.0852 -4.3677 -4.3677 -3.9093 -3.9093 -2.5561 -2.5561 -2.1568 -2.1568 -0.7720 -0.7720 -0.7639 -0.7639 -0.6885 -0.6885 -0.5605 -0.5605 -0.0912 -0.0912 -0.0817 -0.0817 -0.0306 -0.0306 0.1394 0.1394 0.1974 0.1974 0.2484 0.2484 4.4057 4.4057 6.6928 6.6928 7.3006 7.3006 7.4431 7.4431 7.6348 7.6348 7.8163 7.8163 8.6162 8.6162 9.7680 9.7680 10.9233 10.9233 10.9650 10.9650 k = 0.0000 0.0000 0.2516 ( 3634 PWs) bands (ev): -19.3930 -19.3930 -6.0854 -6.0854 -4.3692 -4.3692 -3.9093 -3.9093 -2.5431 -2.5431 -2.1643 -2.1643 -0.7720 -0.7720 -0.7637 -0.7637 -0.6883 -0.6883 -0.5636 -0.5636 -0.0944 -0.0944 -0.0823 -0.0823 -0.0305 -0.0305 0.1397 0.1397 0.1971 0.1971 0.2447 0.2447 4.4340 4.4340 6.6506 6.6506 7.3350 7.3350 7.4759 7.4759 7.5926 7.5926 7.7755 7.7755 8.6137 8.6137 9.7847 9.7847 10.9199 10.9199 10.9598 10.9598 k = 0.0000 0.0000 0.2656 ( 3634 PWs) bands (ev): -19.3930 -19.3930 -6.0856 -6.0856 -4.3702 -4.3702 -3.9093 -3.9093 -2.5331 -2.5331 -2.1702 -2.1702 -0.7720 -0.7720 -0.7636 -0.7636 -0.6881 -0.6881 -0.5658 -0.5658 -0.0971 -0.0971 -0.0824 -0.0824 -0.0303 -0.0303 0.1400 0.1400 0.1968 0.1968 0.2421 0.2421 4.4551 4.4551 6.6196 6.6196 7.3696 7.3696 7.5067 7.5067 7.5524 7.5524 7.7388 7.7388 8.6119 8.6119 9.7964 9.7964 10.9172 10.9172 10.9559 10.9559 k = 0.0000 0.0000 0.2795 ( 3640 PWs) bands (ev): -19.3930 -19.3930 -6.0857 -6.0857 -4.3709 -4.3709 -3.9093 -3.9093 -2.5269 -2.5269 -2.1740 -2.1740 -0.7720 -0.7720 -0.7636 -0.7636 -0.6880 -0.6880 -0.5672 -0.5672 -0.0987 -0.0987 -0.0824 -0.0824 -0.0302 -0.0302 0.1401 0.1401 0.1967 0.1967 0.2405 0.2405 4.4682 4.4682 6.6007 6.6007 7.4012 7.4012 7.5174 7.5174 7.5314 7.5314 7.7106 7.7106 8.6108 8.6108 9.8033 9.8033 10.9155 10.9155 10.9535 10.9535 k = 0.0000 0.0000 0.2935 ( 3628 PWs) bands (ev): -19.3930 -19.3930 -6.0857 -6.0857 -4.3711 -4.3711 -3.9093 -3.9093 -2.5248 -2.5248 -2.1753 -2.1753 -0.7720 -0.7720 -0.7636 -0.7636 -0.6879 -0.6879 -0.5677 -0.5677 -0.0993 -0.0993 -0.0824 -0.0824 -0.0302 -0.0302 0.1402 0.1402 0.1967 0.1967 0.2399 0.2399 4.4726 4.4726 6.5943 6.5943 7.4175 7.4175 7.5000 7.5000 7.5416 7.5416 7.6993 7.6993 8.6104 8.6104 9.8056 9.8056 10.9149 10.9149 10.9527 10.9527 k = 0.0000 0.0000 0.2935 ( 3628 PWs) bands (ev): -19.3930 -19.3930 -6.0857 -6.0857 -4.3711 -4.3711 -3.9093 -3.9093 -2.5248 -2.5248 -2.1753 -2.1753 -0.7720 -0.7720 -0.7636 -0.7636 -0.6879 -0.6879 -0.5677 -0.5677 -0.0993 -0.0993 -0.0824 -0.0824 -0.0302 -0.0302 0.1402 0.1402 0.1967 0.1967 0.2399 0.2399 4.4726 4.4726 6.5943 6.5943 7.4175 7.4175 7.5000 7.5000 7.5416 7.5416 7.6993 7.6993 8.6104 8.6104 9.8056 9.8056 10.9149 10.9149 10.9527 10.9527 k = 0.0122 0.0070 0.2935 ( 3640 PWs) bands (ev): -19.3929 -19.3929 -6.0858 -6.0858 -4.3710 -4.3710 -3.9101 -3.9101 -2.5240 -2.5240 -2.1755 -2.1755 -0.7717 -0.7717 -0.7635 -0.7635 -0.6880 -0.6880 -0.5674 -0.5674 -0.0994 -0.0994 -0.0822 -0.0822 -0.0299 -0.0299 0.1403 0.1403 0.1965 0.1965 0.2402 0.2402 4.4720 4.4720 6.5947 6.5947 7.4140 7.4140 7.4790 7.4790 7.5498 7.5498 7.6879 7.6879 8.6320 8.6320 9.8062 9.8062 10.9187 10.9187 10.9557 10.9557 k = 0.0244 0.0141 0.2935 ( 3640 PWs) bands (ev): -19.3928 -19.3928 -6.0860 -6.0860 -4.3707 -4.3707 -3.9124 -3.9124 -2.5215 -2.5215 -2.1761 -2.1761 -0.7706 -0.7706 -0.7632 -0.7632 -0.6883 -0.6883 -0.5665 -0.5665 -0.0996 -0.0996 -0.0815 -0.0815 -0.0290 -0.0290 0.1408 0.1408 0.1961 0.1961 0.2408 0.2408 4.4701 4.4701 6.5956 6.5956 7.4012 7.4012 7.4336 7.4336 7.5558 7.5558 7.6627 7.6627 8.6916 8.6916 9.8085 9.8085 10.9297 10.9297 10.9645 10.9645 k = 0.0366 0.0211 0.2935 ( 3626 PWs) bands (ev): -19.3926 -19.3926 -6.0864 -6.0864 -4.3703 -4.3703 -3.9162 -3.9162 -2.5173 -2.5173 -2.1771 -2.1771 -0.7689 -0.7689 -0.7627 -0.7627 -0.6887 -0.6887 -0.5649 -0.5649 -0.0998 -0.0998 -0.0804 -0.0804 -0.0275 -0.0275 0.1417 0.1417 0.1954 0.1954 0.2419 0.2419 4.4671 4.4671 6.5965 6.5965 7.3510 7.3510 7.3983 7.3983 7.5463 7.5463 7.6422 7.6422 8.7776 8.7776 9.8133 9.8133 10.9455 10.9455 10.9797 10.9797 k = 0.0488 0.0282 0.2935 ( 3622 PWs) bands (ev): -19.3923 -19.3923 -6.0870 -6.0870 -4.3696 -4.3696 -3.9214 -3.9214 -2.5117 -2.5117 -2.1786 -2.1786 -0.7665 -0.7665 -0.7620 -0.7620 -0.6893 -0.6893 -0.5628 -0.5628 -0.1000 -0.1000 -0.0790 -0.0790 -0.0255 -0.0255 0.1428 0.1428 0.1945 0.1945 0.2435 0.2435 4.4628 4.4628 6.5963 6.5963 7.2646 7.2646 7.3759 7.3759 7.5199 7.5199 7.6354 7.6354 8.8790 8.8790 9.8219 9.8219 10.9616 10.9616 11.0029 11.0029 k = 0.0610 0.0352 0.2935 ( 3618 PWs) bands (ev): -19.3919 -19.3919 -6.0877 -6.0877 -4.3688 -4.3688 -3.9279 -3.9279 -2.5046 -2.5046 -2.1805 -2.1805 -0.7634 -0.7634 -0.7610 -0.7610 -0.6899 -0.6899 -0.5602 -0.5602 -0.0999 -0.0999 -0.0774 -0.0774 -0.0230 -0.0230 0.1443 0.1443 0.1932 0.1932 0.2456 0.2456 4.4573 4.4573 6.5926 6.5926 7.1664 7.1664 7.3500 7.3500 7.4847 7.4847 7.6360 7.6360 8.9874 8.9874 9.8362 9.8362 10.9729 10.9729 11.0357 11.0357 k = 0.0732 0.0422 0.2935 ( 3618 PWs) bands (ev): -19.3915 -19.3915 -6.0886 -6.0886 -4.3679 -4.3679 -3.9356 -3.9356 -2.4961 -2.4961 -2.1827 -2.1827 -0.7605 -0.7605 -0.7591 -0.7591 -0.6907 -0.6907 -0.5570 -0.5570 -0.0997 -0.0997 -0.0756 -0.0756 -0.0202 -0.0202 0.1462 0.1462 0.1917 0.1917 0.2483 0.2483 4.4506 4.4506 6.5812 6.5812 7.0677 7.0677 7.3196 7.3196 7.4454 7.4454 7.6388 7.6388 9.0961 9.0961 9.8583 9.8583 10.9761 10.9761 11.0769 11.0769 k = 0.0854 0.0493 0.2935 ( 3630 PWs) bands (ev): -19.3909 -19.3909 -6.0897 -6.0897 -4.3668 -4.3668 -3.9445 -3.9445 -2.4864 -2.4864 -2.1853 -2.1853 -0.7589 -0.7589 -0.7550 -0.7550 -0.6914 -0.6914 -0.5534 -0.5534 -0.0992 -0.0992 -0.0737 -0.0737 -0.0171 -0.0171 0.1484 0.1484 0.1899 0.1899 0.2517 0.2517 4.4429 4.4429 6.5547 6.5547 6.9799 6.9799 7.2848 7.2848 7.4032 7.4032 7.6417 7.6417 9.2000 9.2000 9.8908 9.8908 10.9691 10.9691 11.1250 11.1250 k = 0.0976 0.0563 0.2935 ( 3632 PWs) bands (ev): -19.3903 -19.3903 -6.0909 -6.0909 -4.3655 -4.3655 -3.9542 -3.9542 -2.4757 -2.4757 -2.1882 -2.1882 -0.7574 -0.7574 -0.7500 -0.7500 -0.6920 -0.6920 -0.5494 -0.5494 -0.0983 -0.0983 -0.0717 -0.0717 -0.0139 -0.0139 0.1510 0.1510 0.1879 0.1879 0.2558 0.2558 4.4341 4.4341 6.5036 6.5036 6.9149 6.9149 7.2461 7.2461 7.3583 7.3583 7.6442 7.6442 9.2945 9.2945 9.9359 9.9359 10.9499 10.9499 11.1787 11.1787 k = 0.1098 0.0634 0.2935 ( 3640 PWs) bands (ev): -19.3897 -19.3897 -6.0923 -6.0923 -4.3642 -4.3642 -3.9648 -3.9648 -2.4641 -2.4641 -2.1913 -2.1913 -0.7558 -0.7558 -0.7445 -0.7445 -0.6926 -0.6926 -0.5451 -0.5451 -0.0970 -0.0970 -0.0695 -0.0695 -0.0106 -0.0106 0.1538 0.1538 0.1857 0.1857 0.2607 0.2607 4.4242 4.4242 6.4241 6.4241 6.8783 6.8783 7.2039 7.2039 7.3108 7.3108 7.6461 7.6461 9.3767 9.3767 9.9945 9.9945 10.9184 10.9184 11.2370 11.2370 k = 0.1220 0.0704 0.2935 ( 3642 PWs) bands (ev): -19.3889 -19.3889 -6.0939 -6.0939 -4.3628 -4.3628 -3.9760 -3.9760 -2.4517 -2.4517 -2.1947 -2.1947 -0.7539 -0.7539 -0.7386 -0.7386 -0.6929 -0.6929 -0.5404 -0.5404 -0.0954 -0.0954 -0.0672 -0.0672 -0.0074 -0.0074 0.1567 0.1567 0.1834 0.1834 0.2665 0.2665 4.4134 4.4134 6.3221 6.3221 6.8649 6.8649 7.1588 7.1588 7.2609 7.2609 7.6474 7.6474 9.4459 9.4459 10.0651 10.0651 10.8762 10.8762 11.2983 11.2983 k = 0.1341 0.0774 0.2935 ( 3634 PWs) bands (ev): -19.3881 -19.3881 -6.0957 -6.0957 -4.3614 -4.3614 -3.9876 -3.9876 -2.4389 -2.4389 -2.1983 -2.1983 -0.7520 -0.7520 -0.7323 -0.7323 -0.6930 -0.6930 -0.5354 -0.5354 -0.0933 -0.0933 -0.0648 -0.0648 -0.0044 -0.0044 0.1595 0.1595 0.1813 0.1813 0.2734 0.2734 4.4016 4.4016 6.2067 6.2067 6.8663 6.8663 7.1116 7.1116 7.2088 7.2088 7.6481 7.6481 9.5033 9.5033 10.1437 10.1437 10.8264 10.8264 11.3546 11.3546 k = 0.1463 0.0845 0.2935 ( 3632 PWs) bands (ev): -19.3873 -19.3873 -6.0977 -6.0977 -4.3599 -4.3599 -3.9994 -3.9994 -2.4258 -2.4258 -2.2019 -2.2019 -0.7498 -0.7498 -0.7259 -0.7259 -0.6925 -0.6925 -0.5302 -0.5302 -0.0909 -0.0909 -0.0622 -0.0622 -0.0016 -0.0016 0.1615 0.1615 0.1799 0.1799 0.2812 0.2812 4.3889 4.3889 6.0843 6.0843 6.8759 6.8759 7.0628 7.0628 7.1549 7.1549 7.6481 7.6481 9.5515 9.5515 10.2237 10.2237 10.7737 10.7737 11.3512 11.3512 k = 0.1585 0.0915 0.2935 ( 3628 PWs) bands (ev): -19.3864 -19.3864 -6.0998 -6.0998 -4.3585 -4.3585 -4.0114 -4.0114 -2.4127 -2.4127 -2.2054 -2.2054 -0.7475 -0.7475 -0.7197 -0.7197 -0.6913 -0.6913 -0.5247 -0.5247 -0.0881 -0.0881 -0.0593 -0.0593 0.0008 0.0008 0.1621 0.1621 0.1800 0.1800 0.2903 0.2903 4.3754 4.3754 5.9588 5.9588 6.8890 6.8890 7.0138 7.0138 7.1000 7.1000 7.6476 7.6476 9.5931 9.5931 10.2970 10.2970 10.7240 10.7240 11.3238 11.3238 k = 0.1707 0.0986 0.2935 ( 3634 PWs) bands (ev): -19.3854 -19.3854 -6.1022 -6.1022 -4.3572 -4.3572 -4.0233 -4.0233 -2.3998 -2.3998 -2.2086 -2.2086 -0.7450 -0.7450 -0.7143 -0.7143 -0.6888 -0.6888 -0.5190 -0.5190 -0.0849 -0.0849 -0.0561 -0.0561 0.0029 0.0029 0.1608 0.1608 0.1818 0.1818 0.3004 0.3004 4.3610 4.3610 5.8322 5.8322 6.8984 6.8984 6.9684 6.9684 7.0462 7.0462 7.6465 7.6465 9.6299 9.6299 10.3529 10.3529 10.6860 10.6860 11.2897 11.2897 k = 0.1829 0.1056 0.2935 ( 3636 PWs) bands (ev): -19.3844 -19.3844 -6.1047 -6.1047 -4.3561 -4.3561 -4.0349 -4.0349 -2.3876 -2.3876 -2.2114 -2.2114 -0.7424 -0.7424 -0.7101 -0.7101 -0.6845 -0.6845 -0.5131 -0.5131 -0.0815 -0.0815 -0.0526 -0.0526 0.0047 0.0047 0.1581 0.1581 0.1848 0.1848 0.3117 0.3117 4.3459 4.3459 5.7060 5.7060 6.8831 6.8831 6.9378 6.9378 7.0029 7.0029 7.6448 7.6448 9.6628 9.6628 10.3794 10.3794 10.6699 10.6699 11.2493 11.2493 k = 0.1951 0.1127 0.2935 ( 3640 PWs) bands (ev): -19.3834 -19.3834 -6.1074 -6.1074 -4.3552 -4.3552 -4.0460 -4.0460 -2.3763 -2.3763 -2.2134 -2.2134 -0.7397 -0.7397 -0.7073 -0.7073 -0.6785 -0.6785 -0.5070 -0.5070 -0.0780 -0.0780 -0.0486 -0.0486 0.0060 0.0060 0.1546 0.1546 0.1886 0.1886 0.3241 0.3241 4.3301 4.3301 5.5810 5.5810 6.8396 6.8396 6.9001 6.9001 6.9951 6.9951 7.6426 7.6426 9.6919 9.6919 10.3743 10.3743 10.6773 10.6773 11.2026 11.2026 k = 0.2073 0.1197 0.2935 ( 3640 PWs) bands (ev): -19.3823 -19.3823 -6.1103 -6.1103 -4.3546 -4.3546 -4.0565 -4.0565 -2.3664 -2.3664 -2.2142 -2.2142 -0.7368 -0.7368 -0.7056 -0.7056 -0.6710 -0.6710 -0.5006 -0.5006 -0.0744 -0.0744 -0.0440 -0.0440 0.0070 0.0070 0.1507 0.1507 0.1926 0.1926 0.3375 0.3375 4.3135 4.3135 5.4579 5.4579 6.7890 6.7890 6.8456 6.8456 7.0117 7.0117 7.6399 7.6399 9.7165 9.7165 10.3509 10.3509 10.6954 10.6954 11.1502 11.1502 k = 0.2195 0.1267 0.2935 ( 3630 PWs) bands (ev): -19.3812 -19.3812 -6.1133 -6.1133 -4.3545 -4.3545 -4.0662 -4.0662 -2.3584 -2.3584 -2.2136 -2.2136 -0.7339 -0.7339 -0.7044 -0.7044 -0.6627 -0.6627 -0.4940 -0.4940 -0.0708 -0.0708 -0.0388 -0.0388 0.0077 0.0077 0.1465 0.1465 0.1969 0.1969 0.3518 0.3518 4.2963 4.2963 5.3372 5.3372 6.7368 6.7368 6.7865 6.7865 7.0348 7.0348 7.6367 7.6367 9.7355 9.7355 10.3235 10.3235 10.7117 10.7117 11.0931 11.0931 k = 0.2317 0.1338 0.2935 ( 3626 PWs) bands (ev): -19.3801 -19.3801 -6.1165 -6.1165 -4.3548 -4.3548 -4.0751 -4.0751 -2.3527 -2.3527 -2.2112 -2.2112 -0.7308 -0.7308 -0.7035 -0.7035 -0.6540 -0.6540 -0.4871 -0.4871 -0.0674 -0.0674 -0.0329 -0.0329 0.0081 0.0081 0.1421 0.1421 0.2012 0.2012 0.3669 0.3669 4.2785 4.2785 5.2193 5.2193 6.6844 6.6844 6.7263 6.7263 7.0600 7.0600 7.6330 7.6330 9.7472 9.7472 10.3009 10.3009 10.7206 10.7206 11.0327 11.0327 k = 0.2439 0.1408 0.2935 ( 3618 PWs) bands (ev): -19.3790 -19.3790 -6.1198 -6.1198 -4.3557 -4.3557 -4.0828 -4.0828 -2.3493 -2.3493 -2.2069 -2.2069 -0.7277 -0.7277 -0.7027 -0.7027 -0.6451 -0.6451 -0.4800 -0.4800 -0.0641 -0.0641 -0.0263 -0.0263 0.0082 0.0082 0.1378 0.1378 0.2057 0.2057 0.3824 0.3824 4.2602 4.2602 5.1046 5.1046 6.6320 6.6320 6.6662 6.6662 7.0859 7.0859 7.6291 7.6291 9.7504 9.7504 10.2875 10.2875 10.7208 10.7208 10.9707 10.9707 k = 0.2561 0.1479 0.2935 ( 3620 PWs) bands (ev): -19.3779 -19.3779 -6.1232 -6.1232 -4.3571 -4.3571 -4.0894 -4.0894 -2.3482 -2.3482 -2.2007 -2.2007 -0.7246 -0.7246 -0.7019 -0.7019 -0.6361 -0.6361 -0.4726 -0.4726 -0.0611 -0.0611 -0.0191 -0.0191 0.0081 0.0081 0.1335 0.1335 0.2104 0.2104 0.3984 0.3984 4.2413 4.2413 4.9934 4.9934 6.5794 6.5794 6.6073 6.6073 7.1119 7.1119 7.6248 7.6248 9.7447 9.7447 10.2848 10.2848 10.7134 10.7134 10.9088 10.9088 k = 0.2683 0.1549 0.2935 ( 3616 PWs) bands (ev): -19.3768 -19.3768 -6.1267 -6.1267 -4.3592 -4.3592 -4.0949 -4.0949 -2.3493 -2.3493 -2.1931 -2.1931 -0.7214 -0.7214 -0.7012 -0.7012 -0.6273 -0.6273 -0.4649 -0.4649 -0.0584 -0.0584 -0.0113 -0.0113 0.0079 0.0079 0.1294 0.1294 0.2153 0.2153 0.4144 0.4144 4.2219 4.2219 4.8860 4.8860 6.5257 6.5257 6.5511 6.5511 7.1375 7.1375 7.6204 7.6204 9.7310 9.7310 10.2915 10.2915 10.7001 10.7001 10.8490 10.8490 k = 0.2805 0.1619 0.2935 ( 3620 PWs) bands (ev): -19.3757 -19.3757 -6.1302 -6.1302 -4.3619 -4.3619 -4.0991 -4.0991 -2.3521 -2.3521 -2.1843 -2.1843 -0.7182 -0.7182 -0.7004 -0.7004 -0.6187 -0.6187 -0.4569 -0.4569 -0.0559 -0.0559 -0.0034 -0.0034 0.0076 0.0076 0.1256 0.1256 0.2205 0.2205 0.4304 0.4304 4.2020 4.2020 4.7828 4.7828 6.4703 6.4703 6.4990 6.4990 7.1626 7.1626 7.6159 7.6159 9.7109 9.7109 10.3042 10.3042 10.6835 10.6835 10.7932 10.7932 k = 0.2927 0.1690 0.2935 ( 3622 PWs) bands (ev): -19.3746 -19.3746 -6.1338 -6.1338 -4.3651 -4.3651 -4.1021 -4.1021 -2.3562 -2.3562 -2.1747 -2.1747 -0.7150 -0.7150 -0.6996 -0.6996 -0.6105 -0.6105 -0.4486 -0.4486 -0.0536 -0.0536 0.0035 0.0035 0.0085 0.0085 0.1223 0.1223 0.2261 0.2261 0.4460 0.4460 4.1818 4.1818 4.6839 4.6839 6.4138 6.4138 6.4505 6.4505 7.1868 7.1868 7.6114 7.6114 9.6864 9.6864 10.3181 10.3181 10.6667 10.6667 10.7438 10.7438 k = 0.3049 0.1760 0.2935 ( 3626 PWs) bands (ev): -19.3736 -19.3736 -6.1374 -6.1374 -4.3689 -4.3689 -4.1040 -4.1040 -2.3613 -2.3613 -2.1648 -2.1648 -0.7119 -0.7119 -0.6987 -0.6987 -0.6028 -0.6028 -0.4401 -0.4401 -0.0515 -0.0515 0.0048 0.0048 0.0146 0.0146 0.1196 0.1196 0.2321 0.2321 0.4610 0.4610 4.1613 4.1613 4.5897 4.5897 6.3575 6.3575 6.4051 6.4051 7.2101 7.2101 7.6070 7.6070 9.6590 9.6590 10.3271 10.3271 10.6523 10.6523 10.7044 10.7044 k = 0.3171 0.1831 0.2935 ( 3628 PWs) bands (ev): -19.3725 -19.3725 -6.1410 -6.1410 -4.3731 -4.3731 -4.1048 -4.1048 -2.3670 -2.3670 -2.1548 -2.1548 -0.7088 -0.7088 -0.6977 -0.6977 -0.5955 -0.5955 -0.4313 -0.4313 -0.0496 -0.0496 0.0042 0.0042 0.0220 0.0220 0.1179 0.1179 0.2389 0.2389 0.4752 0.4752 4.1405 4.1405 4.5004 4.5004 6.3024 6.3024 6.3622 6.3622 7.2322 7.2322 7.6029 7.6029 9.6298 9.6298 10.3259 10.3259 10.6338 10.6338 10.6869 10.6869 k = 0.3293 0.1901 0.2935 ( 3624 PWs) bands (ev): -19.3715 -19.3715 -6.1446 -6.1446 -4.3777 -4.3777 -4.1047 -4.1047 -2.3732 -2.3732 -2.1449 -2.1449 -0.7059 -0.7059 -0.6967 -0.6967 -0.5888 -0.5888 -0.4225 -0.4225 -0.0479 -0.0479 0.0033 0.0033 0.0287 0.0287 0.1173 0.1173 0.2464 0.2464 0.4883 0.4883 4.1195 4.1195 4.4164 4.4164 6.2489 6.2489 6.3217 6.3217 7.2531 7.2531 7.5993 7.5993 9.5993 9.5993 10.3131 10.3131 10.6046 10.6046 10.6995 10.6995 k = 0.3415 0.1971 0.2935 ( 3630 PWs) bands (ev): -19.3706 -19.3706 -6.1481 -6.1481 -4.3825 -4.3825 -4.1039 -4.1039 -2.3797 -2.3797 -2.1353 -2.1353 -0.7031 -0.7031 -0.6956 -0.6956 -0.5826 -0.5826 -0.4135 -0.4135 -0.0462 -0.0462 0.0022 0.0022 0.0342 0.0342 0.1182 0.1182 0.2549 0.2549 0.5001 0.5001 4.0984 4.0984 4.3377 4.3377 6.1975 6.1975 6.2836 6.2836 7.2726 7.2726 7.5962 7.5962 9.5679 9.5679 10.2917 10.2917 10.5728 10.5728 10.7315 10.7315 k = 0.3537 0.2042 0.2935 ( 3630 PWs) bands (ev): -19.3696 -19.3696 -6.1515 -6.1515 -4.3873 -4.3873 -4.1024 -4.1024 -2.3862 -2.3862 -2.1261 -2.1261 -0.7006 -0.7006 -0.6943 -0.6943 -0.5770 -0.5770 -0.4046 -0.4046 -0.0447 -0.0447 0.0010 0.0010 0.0381 0.0381 0.1205 0.1205 0.2644 0.2644 0.5104 0.5104 4.0772 4.0772 4.2649 4.2649 6.1485 6.1485 6.2479 6.2479 7.2907 7.2907 7.5938 7.5938 9.5358 9.5358 10.2664 10.2664 10.5413 10.5413 10.7753 10.7753 k = 0.3659 0.2112 0.2935 ( 3630 PWs) bands (ev): -19.3688 -19.3688 -6.1547 -6.1547 -4.3922 -4.3922 -4.1004 -4.1004 -2.3927 -2.3927 -2.1174 -2.1174 -0.6985 -0.6985 -0.6928 -0.6928 -0.5720 -0.5720 -0.3959 -0.3959 -0.0433 -0.0433 -0.0004 -0.0004 0.0404 0.0404 0.1241 0.1241 0.2753 0.2753 0.5190 0.5190 4.0559 4.0559 4.1981 4.1981 6.1022 6.1022 6.2148 6.2148 7.3071 7.3071 7.5923 7.5923 9.5033 9.5033 10.2407 10.2407 10.5107 10.5107 10.8266 10.8266 k = 0.3780 0.2183 0.2935 ( 3634 PWs) bands (ev): -19.3680 -19.3680 -6.1578 -6.1578 -4.3969 -4.3969 -4.0981 -4.0981 -2.3989 -2.3989 -2.1094 -2.1094 -0.6968 -0.6968 -0.6911 -0.6911 -0.5675 -0.5675 -0.3875 -0.3875 -0.0420 -0.0420 -0.0018 -0.0018 0.0414 0.0414 0.1286 0.1286 0.2874 0.2874 0.5256 0.5256 4.0343 4.0343 4.1380 4.1380 6.0590 6.0590 6.1843 6.1843 7.3219 7.3219 7.5916 7.5916 9.4705 9.4705 10.2172 10.2172 10.4811 10.4811 10.8822 10.8822 k = 0.3902 0.2253 0.2935 ( 3634 PWs) bands (ev): -19.3672 -19.3672 -6.1607 -6.1607 -4.4015 -4.4015 -4.0956 -4.0956 -2.4049 -2.4049 -2.1020 -2.1020 -0.6954 -0.6954 -0.6892 -0.6892 -0.5635 -0.5635 -0.3794 -0.3794 -0.0407 -0.0407 -0.0034 -0.0034 0.0414 0.0414 0.1336 0.1336 0.3008 0.3008 0.5302 0.5302 4.0117 4.0117 4.0855 4.0855 6.0190 6.0190 6.1564 6.1564 7.3350 7.3350 7.5919 7.5919 9.4380 9.4380 10.1971 10.1971 10.4528 10.4528 10.9399 10.9399 k = 0.4024 0.2323 0.2935 ( 3638 PWs) bands (ev): -19.3666 -19.3666 -6.1633 -6.1633 -4.4057 -4.4057 -4.0930 -4.0930 -2.4105 -2.4105 -2.0953 -2.0953 -0.6943 -0.6943 -0.6873 -0.6873 -0.5601 -0.5601 -0.3718 -0.3718 -0.0393 -0.0393 -0.0052 -0.0052 0.0408 0.0408 0.1385 0.1385 0.3154 0.3154 0.5327 0.5327 3.9867 3.9867 4.0425 4.0425 5.9826 5.9826 6.1313 6.1313 7.3463 7.3463 7.5931 7.5931 9.4062 9.4062 10.1810 10.1810 10.4259 10.4259 10.9981 10.9981 k = 0.4146 0.2394 0.2935 ( 3636 PWs) bands (ev): -19.3659 -19.3659 -6.1657 -6.1657 -4.4097 -4.4097 -4.0904 -4.0904 -2.4157 -2.4157 -2.0893 -2.0893 -0.6934 -0.6934 -0.6855 -0.6855 -0.5571 -0.5571 -0.3648 -0.3648 -0.0380 -0.0380 -0.0071 -0.0071 0.0398 0.0398 0.1432 0.1432 0.3311 0.3311 0.5330 0.5330 3.9577 3.9577 4.0107 4.0107 5.9500 5.9500 6.1089 6.1089 7.3558 7.3558 7.5952 7.5952 9.3758 9.3758 10.1689 10.1689 10.4005 10.4005 11.0550 11.0550 k = 0.4268 0.2464 0.2935 ( 3636 PWs) bands (ev): -19.3654 -19.3654 -6.1679 -6.1679 -4.4132 -4.4132 -4.0880 -4.0880 -2.4203 -2.4203 -2.0841 -2.0841 -0.6927 -0.6927 -0.6838 -0.6838 -0.5546 -0.5546 -0.3586 -0.3586 -0.0366 -0.0366 -0.0091 -0.0091 0.0387 0.0387 0.1473 0.1473 0.3475 0.3475 0.5311 0.5311 3.9271 3.9271 3.9880 3.9880 5.9213 5.9213 6.0895 6.0895 7.3637 7.3637 7.5979 7.5979 9.3476 9.3476 10.1606 10.1606 10.3769 10.3769 11.1090 11.1090 k = 0.4390 0.2535 0.2935 ( 3640 PWs) bands (ev): -19.3650 -19.3650 -6.1697 -6.1697 -4.4162 -4.4162 -4.0858 -4.0858 -2.4243 -2.4243 -2.0797 -2.0797 -0.6921 -0.6921 -0.6823 -0.6823 -0.5525 -0.5525 -0.3531 -0.3531 -0.0351 -0.0351 -0.0112 -0.0112 0.0376 0.0376 0.1509 0.1509 0.3642 0.3642 0.5272 0.5272 3.8987 3.8987 3.9710 3.9710 5.8967 5.8967 6.0729 6.0729 7.3699 7.3699 7.6010 7.6010 9.3221 9.3221 10.1557 10.1557 10.3554 10.3554 11.1586 11.1586 k = 0.4512 0.2605 0.2935 ( 3636 PWs) bands (ev): -19.3646 -19.3646 -6.1713 -6.1713 -4.4187 -4.4187 -4.0838 -4.0838 -2.4276 -2.4276 -2.0761 -2.0761 -0.6916 -0.6916 -0.6811 -0.6811 -0.5508 -0.5508 -0.3485 -0.3485 -0.0335 -0.0335 -0.0134 -0.0134 0.0366 0.0366 0.1538 0.1538 0.3807 0.3807 0.5216 0.5216 3.8744 3.8744 3.9577 3.9577 5.8765 5.8765 6.0593 6.0593 7.3747 7.3747 7.6041 7.6041 9.3002 9.3002 10.1535 10.1535 10.3363 10.3363 11.2020 11.2020 k = 0.4634 0.2676 0.2935 ( 3630 PWs) bands (ev): -19.3643 -19.3643 -6.1725 -6.1725 -4.4208 -4.4208 -4.0823 -4.0823 -2.4303 -2.4303 -2.0732 -2.0732 -0.6912 -0.6912 -0.6801 -0.6801 -0.5496 -0.5496 -0.3449 -0.3449 -0.0320 -0.0320 -0.0155 -0.0155 0.0358 0.0358 0.1561 0.1561 0.3964 0.3964 0.5146 0.5146 3.8553 3.8553 3.9475 3.9475 5.8605 5.8605 6.0487 6.0487 7.3782 7.3782 7.6070 7.6070 9.2825 9.2825 10.1532 10.1532 10.3204 10.3204 11.2379 11.2379 k = 0.4756 0.2746 0.2935 ( 3630 PWs) bands (ev): -19.3641 -19.3641 -6.1733 -6.1733 -4.4222 -4.4222 -4.0811 -4.0811 -2.4322 -2.4322 -2.0712 -2.0712 -0.6909 -0.6909 -0.6794 -0.6794 -0.5487 -0.5487 -0.3422 -0.3422 -0.0304 -0.0304 -0.0175 -0.0175 0.0352 0.0352 0.1576 0.1576 0.4101 0.4101 0.5073 0.5073 3.8415 3.8415 3.9402 3.9402 5.8491 5.8491 6.0411 6.0411 7.3806 7.3806 7.6093 7.6093 9.2695 9.2695 10.1541 10.1541 10.3081 10.3081 11.2647 11.2647 k = 0.4878 0.2816 0.2935 ( 3622 PWs) bands (ev): -19.3639 -19.3639 -6.1739 -6.1739 -4.4231 -4.4231 -4.0804 -4.0804 -2.4334 -2.4334 -2.0700 -2.0700 -0.6908 -0.6908 -0.6789 -0.6789 -0.5481 -0.5481 -0.3406 -0.3406 -0.0292 -0.0292 -0.0190 -0.0190 0.0348 0.0348 0.1586 0.1586 0.4200 0.4200 0.5012 0.5012 3.8332 3.8332 3.9358 3.9358 5.8422 5.8422 6.0365 6.0365 7.3820 7.3820 7.6108 7.6108 9.2615 9.2615 10.1551 10.1551 10.3003 10.3003 11.2813 11.2813 k = 0.5000 0.2887 0.2935 ( 3628 PWs) bands (ev): -19.3639 -19.3639 -6.1740 -6.1740 -4.4234 -4.4234 -4.0802 -4.0802 -2.4337 -2.4337 -2.0696 -2.0696 -0.6907 -0.6907 -0.6788 -0.6788 -0.5479 -0.5479 -0.3401 -0.3401 -0.0287 -0.0287 -0.0196 -0.0196 0.0347 0.0347 0.1589 0.1589 0.4238 0.4238 0.4987 0.4987 3.8305 3.8305 3.9344 3.9344 5.8399 5.8399 6.0350 6.0350 7.3825 7.3825 7.6113 7.6113 9.2588 9.2588 10.1555 10.1555 10.2976 10.2976 11.2869 11.2869 k = 0.5000 0.2887 0.2935 ( 3628 PWs) bands (ev): -19.3639 -19.3639 -6.1740 -6.1740 -4.4234 -4.4234 -4.0802 -4.0802 -2.4337 -2.4337 -2.0696 -2.0696 -0.6907 -0.6907 -0.6788 -0.6788 -0.5479 -0.5479 -0.3401 -0.3401 -0.0287 -0.0287 -0.0196 -0.0196 0.0347 0.0347 0.1589 0.1589 0.4238 0.4238 0.4987 0.4987 3.8305 3.8305 3.9344 3.9344 5.8399 5.8399 6.0350 6.0350 7.3825 7.3825 7.6113 7.6113 9.2588 9.2588 10.1555 10.1555 10.2976 10.2976 11.2869 11.2869 k = 0.4931 0.3007 0.2935 ( 3624 PWs) bands (ev): -19.3639 -19.3639 -6.1741 -6.1740 -4.4232 -4.4232 -4.0807 -4.0807 -2.4331 -2.4331 -2.0698 -2.0698 -0.6909 -0.6909 -0.6786 -0.6786 -0.5480 -0.5480 -0.3400 -0.3400 -0.0287 -0.0287 -0.0195 -0.0195 0.0348 0.0348 0.1587 0.1587 0.4235 0.4235 0.4995 0.4995 3.8314 3.8314 3.9346 3.9346 5.8412 5.8412 6.0312 6.0312 7.3782 7.3782 7.6053 7.6053 9.2626 9.2626 10.1605 10.1605 10.3070 10.3070 11.2823 11.2823 k = 0.4861 0.3127 0.2935 ( 3620 PWs) bands (ev): -19.3638 -19.3638 -6.1741 -6.1741 -4.4226 -4.4226 -4.0823 -4.0823 -2.4313 -2.4313 -2.0706 -2.0706 -0.6914 -0.6914 -0.6779 -0.6779 -0.5484 -0.5484 -0.3397 -0.3397 -0.0287 -0.0287 -0.0192 -0.0192 0.0349 0.0349 0.1582 0.1582 0.4227 0.4227 0.5016 0.5016 3.8340 3.8340 3.9355 3.9355 5.8448 5.8448 6.0199 6.0199 7.3649 7.3649 7.5882 7.5882 9.2738 9.2738 10.1755 10.1755 10.3349 10.3349 11.2691 11.2691 k = 0.4792 0.3248 0.2935 ( 3624 PWs) bands (ev): -19.3638 -19.3638 -6.1741 -6.1741 -4.4216 -4.4216 -4.0850 -4.0850 -2.4284 -2.4284 -2.0718 -2.0718 -0.6921 -0.6921 -0.6770 -0.6770 -0.5489 -0.5489 -0.3392 -0.3392 -0.0285 -0.0285 -0.0187 -0.0187 0.0351 0.0351 0.1573 0.1573 0.4214 0.4214 0.5051 0.5051 3.8384 3.8384 3.9368 3.9368 5.8509 5.8509 6.0018 6.0018 7.3418 7.3418 7.5620 7.5620 9.2918 9.2918 10.2008 10.2008 10.3803 10.3803 11.2485 11.2485 k = 0.4722 0.3368 0.2935 ( 3626 PWs) bands (ev): -19.3637 -19.3637 -6.1741 -6.1741 -4.4203 -4.4203 -4.0887 -4.0887 -2.4242 -2.4242 -2.0735 -2.0735 -0.6930 -0.6930 -0.6758 -0.6758 -0.5497 -0.5497 -0.3384 -0.3384 -0.0283 -0.0283 -0.0181 -0.0181 0.0355 0.0355 0.1560 0.1560 0.4198 0.4198 0.5096 0.5096 3.8444 3.8444 3.9387 3.9387 5.8591 5.8591 5.9775 5.9775 7.3076 7.3076 7.5296 7.5296 9.3159 9.3159 10.2364 10.2364 10.4418 10.4418 11.2219 11.2219 k = 0.4653 0.3488 0.2935 ( 3622 PWs) bands (ev): -19.3635 -19.3635 -6.1741 -6.1741 -4.4186 -4.4186 -4.0933 -4.0933 -2.4190 -2.4190 -2.0758 -2.0758 -0.6939 -0.6939 -0.6744 -0.6744 -0.5506 -0.5506 -0.3375 -0.3375 -0.0278 -0.0278 -0.0174 -0.0174 0.0359 0.0359 0.1544 0.1544 0.4182 0.4182 0.5150 0.5150 3.8520 3.8520 3.9410 3.9410 5.8691 5.8691 5.9484 5.9484 7.2617 7.2617 7.4935 7.4935 9.3454 9.3454 10.2827 10.2827 10.5178 10.5178 11.1907 11.1907 k = 0.4583 0.3608 0.2935 ( 3626 PWs) bands (ev): -19.3634 -19.3634 -6.1742 -6.1742 -4.4166 -4.4166 -4.0988 -4.0988 -2.4129 -2.4129 -2.0784 -2.0784 -0.6949 -0.6949 -0.6729 -0.6729 -0.5518 -0.5518 -0.3363 -0.3363 -0.0271 -0.0271 -0.0167 -0.0167 0.0365 0.0365 0.1524 0.1524 0.4165 0.4165 0.5211 0.5211 3.8610 3.8610 3.9438 3.9438 5.8777 5.8777 5.9185 5.9185 7.2047 7.2047 7.4552 7.4552 9.3796 9.3796 10.3394 10.3394 10.6063 10.6063 11.1562 11.1562 k = 0.4514 0.3729 0.2935 ( 3622 PWs) bands (ev): -19.3632 -19.3632 -6.1742 -6.1742 -4.4142 -4.4142 -4.1050 -4.1050 -2.4057 -2.4057 -2.0816 -2.0816 -0.6958 -0.6958 -0.6713 -0.6713 -0.5532 -0.5532 -0.3348 -0.3348 -0.0262 -0.0262 -0.0159 -0.0159 0.0372 0.0372 0.1500 0.1500 0.4150 0.4150 0.5277 0.5277 3.8713 3.8713 3.9470 3.9470 5.8641 5.8641 5.9095 5.9095 7.1386 7.1386 7.4150 7.4150 9.4182 9.4182 10.4065 10.4065 10.7053 10.7053 11.1193 11.1193 k = 0.4444 0.3849 0.2935 ( 3626 PWs) bands (ev): -19.3631 -19.3631 -6.1743 -6.1743 -4.4116 -4.4116 -4.1119 -4.1119 -2.3978 -2.3978 -2.0852 -2.0852 -0.6968 -0.6968 -0.6696 -0.6696 -0.5547 -0.5547 -0.3332 -0.3332 -0.0250 -0.0250 -0.0152 -0.0152 0.0380 0.0380 0.1472 0.1472 0.4137 0.4137 0.5346 0.5346 3.8826 3.8826 3.9507 3.9507 5.8274 5.8274 5.9234 5.9234 7.0656 7.0656 7.3725 7.3725 9.4607 9.4607 10.4836 10.4836 10.8128 10.8128 11.0808 11.0808 k = 0.4375 0.3969 0.2935 ( 3628 PWs) bands (ev): -19.3629 -19.3629 -6.1744 -6.1744 -4.4088 -4.4088 -4.1193 -4.1193 -2.3891 -2.3891 -2.0893 -2.0893 -0.6976 -0.6976 -0.6679 -0.6679 -0.5565 -0.5565 -0.3313 -0.3313 -0.0236 -0.0236 -0.0145 -0.0145 0.0389 0.0389 0.1441 0.1441 0.4126 0.4126 0.5417 0.5417 3.8948 3.8948 3.9547 3.9547 5.7859 5.7859 5.9425 5.9425 6.9883 6.9883 7.3275 7.3275 9.5070 9.5070 10.5701 10.5701 10.9259 10.9259 11.0424 11.0424 k = 0.4306 0.4090 0.2935 ( 3628 PWs) bands (ev): -19.3626 -19.3626 -6.1745 -6.1745 -4.4057 -4.4057 -4.1271 -4.1271 -2.3799 -2.3799 -2.0938 -2.0938 -0.6984 -0.6984 -0.6662 -0.6662 -0.5583 -0.5583 -0.3292 -0.3292 -0.0219 -0.0219 -0.0136 -0.0136 0.0399 0.0399 0.1406 0.1406 0.4118 0.4118 0.5488 0.5488 3.9076 3.9076 3.9590 3.9590 5.7432 5.7432 5.9642 5.9642 6.9088 6.9088 7.2796 7.2796 9.5568 9.5568 10.6651 10.6651 10.9930 10.9930 11.0545 11.0545 k = 0.4236 0.4210 0.2935 ( 3624 PWs) bands (ev): -19.3624 -19.3624 -6.1746 -6.1746 -4.4025 -4.4025 -4.1351 -4.1351 -2.3701 -2.3701 -2.0986 -2.0986 -0.6991 -0.6991 -0.6644 -0.6644 -0.5603 -0.5603 -0.3269 -0.3269 -0.0203 -0.0203 -0.0125 -0.0125 0.0410 0.0410 0.1368 0.1368 0.4114 0.4114 0.5559 0.5559 3.9206 3.9206 3.9637 3.9637 5.7005 5.7005 5.9879 5.9879 6.8289 6.8289 7.2290 7.2290 9.6101 9.6101 10.7662 10.7662 10.9583 10.9583 11.1731 11.1731 k = 0.4167 0.4330 0.2935 ( 3624 PWs) bands (ev): -19.3622 -19.3622 -6.1747 -6.1747 -4.3991 -4.3991 -4.1433 -4.1433 -2.3600 -2.3600 -2.1038 -2.1038 -0.6997 -0.6997 -0.6626 -0.6626 -0.5624 -0.5624 -0.3244 -0.3244 -0.0188 -0.0188 -0.0110 -0.0110 0.0422 0.0422 0.1327 0.1327 0.4113 0.4113 0.5628 0.5628 3.9334 3.9334 3.9688 3.9688 5.6586 5.6586 6.0132 6.0132 6.7505 6.7505 7.1760 7.1760 9.6664 9.6664 10.8559 10.8559 10.9384 10.9384 11.2968 11.2968 k = 0.4097 0.4450 0.2935 ( 3628 PWs) bands (ev): -19.3620 -19.3620 -6.1749 -6.1749 -4.3957 -4.3957 -4.1514 -4.1514 -2.3497 -2.3497 -2.1094 -2.1094 -0.7002 -0.7002 -0.6608 -0.6608 -0.5645 -0.5645 -0.3218 -0.3218 -0.0177 -0.0177 -0.0089 -0.0089 0.0434 0.0434 0.1283 0.1283 0.4115 0.4115 0.5693 0.5693 3.9455 3.9455 3.9745 3.9745 5.6182 5.6182 6.0397 6.0397 6.6750 6.6750 7.1210 7.1210 9.7256 9.7256 10.8522 10.8522 11.0179 11.0179 11.4205 11.4205 k = 0.4028 0.4571 0.2935 ( 3632 PWs) bands (ev): -19.3617 -19.3617 -6.1751 -6.1751 -4.3924 -4.3924 -4.1594 -4.1594 -2.3393 -2.3393 -2.1151 -2.1151 -0.7007 -0.7007 -0.6590 -0.6590 -0.5667 -0.5667 -0.3191 -0.3191 -0.0171 -0.0171 -0.0062 -0.0062 0.0448 0.0448 0.1238 0.1238 0.4120 0.4120 0.5754 0.5754 3.9564 3.9564 3.9810 3.9810 5.5800 5.5800 6.0669 6.0669 6.6040 6.6040 7.0646 7.0646 9.7873 9.7873 10.8132 10.8132 11.1382 11.1382 11.5419 11.5419 k = 0.3958 0.4691 0.2935 ( 3624 PWs) bands (ev): -19.3615 -19.3615 -6.1753 -6.1753 -4.3891 -4.3891 -4.1670 -4.1670 -2.3290 -2.3290 -2.1211 -2.1211 -0.7010 -0.7010 -0.6572 -0.6572 -0.5688 -0.5688 -0.3164 -0.3164 -0.0167 -0.0167 -0.0030 -0.0030 0.0461 0.0461 0.1191 0.1191 0.4129 0.4129 0.5810 0.5810 3.9655 3.9655 3.9884 3.9884 5.5444 5.5444 6.0937 6.0937 6.5393 6.5393 7.0072 7.0072 9.8511 9.8511 10.7703 10.7703 11.2673 11.2673 11.6587 11.6587 k = 0.3889 0.4811 0.2935 ( 3620 PWs) bands (ev): -19.3613 -19.3613 -6.1756 -6.1756 -4.3860 -4.3860 -4.1742 -4.1742 -2.3189 -2.3189 -2.1271 -2.1271 -0.7013 -0.7013 -0.6555 -0.6555 -0.5709 -0.5709 -0.3137 -0.3137 -0.0165 -0.0165 0.0004 0.0004 0.0476 0.0476 0.1144 0.1144 0.4140 0.4140 0.5860 0.5860 3.9729 3.9729 3.9964 3.9964 5.5119 5.5119 6.1188 6.1188 6.4831 6.4831 6.9495 6.9495 9.9164 9.9164 10.7265 10.7265 11.4012 11.4012 11.7683 11.7683 k = 0.3819 0.4932 0.2935 ( 3612 PWs) bands (ev): -19.3611 -19.3611 -6.1758 -6.1758 -4.3831 -4.3831 -4.1808 -4.1808 -2.3092 -2.3092 -2.1330 -2.1330 -0.7015 -0.7015 -0.6538 -0.6538 -0.5729 -0.5729 -0.3111 -0.3111 -0.0165 -0.0165 0.0039 0.0039 0.0490 0.0490 0.1098 0.1098 0.4154 0.4154 0.5904 0.5904 3.9790 3.9790 4.0041 4.0041 5.4828 5.4828 6.1396 6.1396 6.4386 6.4386 6.8921 6.8921 9.9826 9.9826 10.6825 10.6825 11.5381 11.5381 11.8678 11.8678 k = 0.3750 0.5052 0.2935 ( 3616 PWs) bands (ev): -19.3609 -19.3609 -6.1761 -6.1761 -4.3805 -4.3805 -4.1866 -4.1866 -2.3001 -2.3001 -2.1388 -2.1388 -0.7016 -0.7016 -0.6522 -0.6522 -0.5747 -0.5747 -0.3086 -0.3086 -0.0165 -0.0165 0.0074 0.0074 0.0505 0.0505 0.1053 0.1053 0.4170 0.4170 0.5940 0.5940 3.9842 3.9842 4.0108 4.0108 5.4574 5.4574 6.1524 6.1524 6.4098 6.4098 6.8354 6.8354 10.0488 10.0488 10.6386 10.6386 11.6764 11.6764 11.9539 11.9539 k = 0.3681 0.5172 0.2935 ( 3620 PWs) bands (ev): -19.3607 -19.3607 -6.1763 -6.1763 -4.3783 -4.3783 -4.1917 -4.1917 -2.2919 -2.2919 -2.1442 -2.1442 -0.7017 -0.7017 -0.6508 -0.6508 -0.5764 -0.5764 -0.3064 -0.3064 -0.0166 -0.0166 0.0106 0.0106 0.0519 0.0519 0.1010 0.1010 0.4187 0.4187 0.5970 0.5970 3.9890 3.9890 4.0160 4.0160 5.4358 5.4358 6.1544 6.1544 6.4003 6.4003 6.7801 6.7801 10.1140 10.1140 10.5951 10.5951 11.8137 11.8137 12.0235 12.0235 k = 0.3611 0.5292 0.2935 ( 3618 PWs) bands (ev): -19.3605 -19.3605 -6.1765 -6.1765 -4.3766 -4.3766 -4.1958 -4.1958 -2.2847 -2.2847 -2.1491 -2.1491 -0.7018 -0.7018 -0.6495 -0.6495 -0.5778 -0.5778 -0.3044 -0.3044 -0.0167 -0.0167 0.0135 0.0135 0.0534 0.0534 0.0971 0.0971 0.4204 0.4204 0.5993 0.5993 3.9934 3.9934 4.0194 4.0194 5.4181 5.4181 6.1466 6.1466 6.4092 6.4092 6.7267 6.7267 10.1772 10.1772 10.5523 10.5523 11.9468 11.9468 12.0747 12.0747 k = 0.3542 0.5413 0.2935 ( 3626 PWs) bands (ev): -19.3604 -19.3604 -6.1767 -6.1767 -4.3752 -4.3752 -4.1990 -4.1990 -2.2788 -2.2788 -2.1531 -2.1531 -0.7018 -0.7018 -0.6485 -0.6485 -0.5790 -0.5790 -0.3027 -0.3027 -0.0168 -0.0168 0.0159 0.0159 0.0547 0.0547 0.0938 0.0938 0.4221 0.4221 0.6009 0.6009 3.9978 3.9978 4.0208 4.0208 5.4045 5.4045 6.1341 6.1341 6.4314 6.4314 6.6756 6.6756 10.2369 10.2369 10.5103 10.5103 12.0693 12.0693 12.1098 12.1098 k = 0.3472 0.5533 0.2935 ( 3632 PWs) bands (ev): -19.3603 -19.3603 -6.1769 -6.1769 -4.3743 -4.3743 -4.2012 -4.2012 -2.2745 -2.2745 -2.1561 -2.1561 -0.7018 -0.7018 -0.6477 -0.6477 -0.5798 -0.5798 -0.3015 -0.3015 -0.0169 -0.0169 0.0177 0.0177 0.0558 0.0558 0.0913 0.0913 0.4235 0.4235 0.6019 0.6019 4.0019 4.0019 4.0202 4.0202 5.3948 5.3948 6.1221 6.1221 6.4619 6.4619 6.6275 6.6275 10.2915 10.2915 10.4698 10.4698 12.1224 12.1224 12.1836 12.1836 k = 0.3403 0.5653 0.2935 ( 3632 PWs) bands (ev): -19.3603 -19.3603 -6.1770 -6.1770 -4.3738 -4.3738 -4.2025 -4.2025 -2.2719 -2.2719 -2.1579 -2.1579 -0.7018 -0.7018 -0.6472 -0.6472 -0.5803 -0.5803 -0.3007 -0.3007 -0.0170 -0.0170 0.0188 0.0188 0.0566 0.0566 0.0897 0.0897 0.4245 0.4245 0.6024 0.6024 4.0059 4.0059 4.0183 4.0183 5.3891 5.3891 6.1138 6.1138 6.4964 6.4964 6.5834 6.5834 10.3385 10.3385 10.4320 10.4320 12.1324 12.1324 12.2621 12.2621 k = 0.3333 0.5774 0.2935 ( 3636 PWs) bands (ev): -19.3602 -19.3602 -6.1770 -6.1770 -4.3737 -4.3737 -4.2029 -4.2029 -2.2711 -2.2711 -2.1585 -2.1585 -0.7017 -0.7017 -0.6470 -0.6470 -0.5805 -0.5805 -0.3004 -0.3004 -0.0170 -0.0170 0.0191 0.0191 0.0568 0.0568 0.0892 0.0892 0.4248 0.4248 0.6026 0.6026 4.0080 4.0080 4.0166 4.0166 5.3872 5.3872 6.1108 6.1108 6.5228 6.5228 6.5541 6.5541 10.3645 10.3645 10.4093 10.4093 12.1355 12.1355 12.2914 12.2914 k = 0.3333 0.5774 0.2935 ( 3636 PWs) bands (ev): -19.3602 -19.3602 -6.1770 -6.1770 -4.3737 -4.3737 -4.2029 -4.2029 -2.2711 -2.2711 -2.1585 -2.1585 -0.7017 -0.7017 -0.6470 -0.6470 -0.5805 -0.5805 -0.3004 -0.3004 -0.0170 -0.0170 0.0191 0.0191 0.0568 0.0568 0.0892 0.0892 0.4248 0.4248 0.6026 0.6026 4.0080 4.0080 4.0166 4.0166 5.3872 5.3872 6.1108 6.1108 6.5228 6.5228 6.5541 6.5541 10.3645 10.3645 10.4093 10.4093 12.1355 12.1355 12.2914 12.2914 k = 0.3262 0.5651 0.2935 ( 3632 PWs) bands (ev): -19.3603 -19.3603 -6.1770 -6.1770 -4.3738 -4.3738 -4.2025 -4.2025 -2.2719 -2.2719 -2.1580 -2.1580 -0.7018 -0.7018 -0.6472 -0.6472 -0.5803 -0.5803 -0.3007 -0.3007 -0.0169 -0.0169 0.0188 0.0188 0.0566 0.0566 0.0897 0.0897 0.4244 0.4244 0.6024 0.6024 4.0053 4.0053 4.0190 4.0190 5.3891 5.3891 6.1141 6.1141 6.4965 6.4965 6.5832 6.5832 10.3417 10.3417 10.4284 10.4284 12.1303 12.1303 12.2750 12.2750 k = 0.3191 0.5528 0.2935 ( 3632 PWs) bands (ev): -19.3603 -19.3603 -6.1768 -6.1768 -4.3741 -4.3741 -4.2014 -4.2014 -2.2742 -2.2742 -2.1565 -2.1565 -0.7018 -0.7018 -0.6477 -0.6477 -0.5798 -0.5798 -0.3017 -0.3017 -0.0168 -0.0168 0.0177 0.0177 0.0559 0.0559 0.0910 0.0910 0.4228 0.4228 0.6022 0.6022 3.9998 3.9998 4.0238 4.0238 5.3948 5.3948 6.1239 6.1239 6.4632 6.4632 6.6249 6.6249 10.3069 10.3069 10.4521 10.4521 12.1065 12.1065 12.2571 12.2571 k = 0.3121 0.5405 0.2935 ( 3628 PWs) bands (ev): -19.3605 -19.3605 -6.1766 -6.1766 -4.3745 -4.3745 -4.1997 -4.1997 -2.2775 -2.2775 -2.1543 -2.1543 -0.7019 -0.7019 -0.6487 -0.6487 -0.5790 -0.5790 -0.3033 -0.3033 -0.0167 -0.0167 0.0162 0.0162 0.0551 0.0551 0.0929 0.0929 0.4200 0.4200 0.6019 0.6019 3.9938 3.9938 4.0294 4.0294 5.4041 5.4041 6.1402 6.1402 6.4336 6.4336 6.6680 6.6680 10.2719 10.2719 10.4684 10.4684 12.0581 12.0581 12.2571 12.2571 k = 0.3050 0.5282 0.2935 ( 3636 PWs) bands (ev): -19.3606 -19.3606 -6.1762 -6.1762 -4.3749 -4.3749 -4.1975 -4.1975 -2.2817 -2.2817 -2.1519 -2.1519 -0.7020 -0.7020 -0.6499 -0.6499 -0.5780 -0.5780 -0.3057 -0.3057 -0.0164 -0.0164 0.0141 0.0141 0.0542 0.0542 0.0952 0.0952 0.4157 0.4157 0.6017 0.6017 3.9884 3.9884 4.0357 4.0357 5.4169 5.4169 6.1624 6.1624 6.4087 6.4087 6.7114 6.7114 10.2382 10.2382 10.4765 10.4765 11.9935 11.9935 12.2673 12.2673 k = 0.2979 0.5159 0.2935 ( 3632 PWs) bands (ev): -19.3608 -19.3608 -6.1756 -6.1756 -4.3752 -4.3752 -4.1950 -4.1950 -2.2863 -2.2863 -2.1494 -2.1494 -0.7022 -0.7022 -0.6515 -0.6515 -0.5768 -0.5768 -0.3087 -0.3087 -0.0161 -0.0161 0.0118 0.0118 0.0533 0.0533 0.0975 0.0975 0.4099 0.4099 0.6015 0.6015 3.9843 3.9843 4.0425 4.0425 5.4332 5.4332 6.1899 6.1899 6.3890 6.3890 6.7547 6.7547 10.2061 10.2061 10.4772 10.4772 11.9211 11.9211 12.2735 12.2735 k = 0.2908 0.5036 0.2935 ( 3632 PWs) bands (ev): -19.3611 -19.3611 -6.1748 -6.1748 -4.3754 -4.3754 -4.1922 -4.1922 -2.2911 -2.2911 -2.1471 -2.1471 -0.7025 -0.7025 -0.6533 -0.6533 -0.5755 -0.5755 -0.3126 -0.3126 -0.0157 -0.0157 0.0092 0.0092 0.0525 0.0525 0.0998 0.0998 0.4026 0.4026 0.6011 0.6011 3.9822 3.9822 4.0497 4.0497 5.4527 5.4527 6.2217 6.2217 6.3753 6.3753 6.7973 6.7973 10.1758 10.1758 10.4715 10.4715 11.8453 11.8453 12.2664 12.2664 k = 0.2837 0.4914 0.2935 ( 3628 PWs) bands (ev): -19.3615 -19.3615 -6.1739 -6.1739 -4.3754 -4.3754 -4.1893 -4.1893 -2.2958 -2.2958 -2.1452 -2.1452 -0.7028 -0.7028 -0.6554 -0.6554 -0.5742 -0.5742 -0.3172 -0.3172 -0.0154 -0.0154 0.0065 0.0065 0.0518 0.0518 0.1019 0.1019 0.3939 0.3939 0.6006 0.6006 3.9829 3.9829 4.0575 4.0575 5.4756 5.4756 6.2558 6.2558 6.3688 6.3688 6.8388 6.8388 10.1476 10.1476 10.4607 10.4607 11.7686 11.7686 12.2491 12.2491 k = 0.2766 0.4791 0.2935 ( 3624 PWs) bands (ev): -19.3619 -19.3619 -6.1728 -6.1728 -4.3750 -4.3750 -4.1863 -4.1863 -2.3004 -2.3004 -2.1438 -2.1438 -0.7032 -0.7032 -0.6576 -0.6576 -0.5730 -0.5730 -0.3225 -0.3225 -0.0151 -0.0151 0.0039 0.0039 0.0512 0.0512 0.1037 0.1037 0.3840 0.3840 0.5996 0.5996 3.9869 3.9869 4.0657 4.0657 5.5017 5.5017 6.2878 6.2878 6.3735 6.3735 6.8790 6.8790 10.1215 10.1215 10.4461 10.4461 11.6926 11.6926 12.2243 12.2243 k = 0.2695 0.4668 0.2935 ( 3618 PWs) bands (ev): -19.3623 -19.3623 -6.1715 -6.1715 -4.3745 -4.3745 -4.1832 -4.1832 -2.3046 -2.3046 -2.1430 -2.1430 -0.7037 -0.7037 -0.6601 -0.6601 -0.5720 -0.5720 -0.3286 -0.3286 -0.0150 -0.0150 0.0014 0.0014 0.0508 0.0508 0.1053 0.1053 0.3729 0.3729 0.5980 0.5980 3.9949 3.9949 4.0744 4.0744 5.5311 5.5311 6.3109 6.3109 6.3954 6.3954 6.9175 6.9175 10.0978 10.0978 10.4289 10.4289 11.6183 11.6183 12.1851 12.1851 k = 0.2624 0.4545 0.2935 ( 3626 PWs) bands (ev): -19.3628 -19.3628 -6.1699 -6.1699 -4.3736 -4.3736 -4.1802 -4.1802 -2.3085 -2.3085 -2.1428 -2.1428 -0.7042 -0.7042 -0.6626 -0.6626 -0.5711 -0.5711 -0.3353 -0.3353 -0.0154 -0.0154 -0.0007 -0.0007 0.0506 0.0506 0.1066 0.1066 0.3611 0.3611 0.5956 0.5956 4.0074 4.0074 4.0836 4.0836 5.5639 5.5639 6.3249 6.3249 6.4340 6.4340 6.9539 6.9539 10.0766 10.0766 10.4103 10.4103 11.5466 11.5466 12.1232 12.1232 k = 0.2553 0.4422 0.2935 ( 3622 PWs) bands (ev): -19.3634 -19.3634 -6.1682 -6.1682 -4.3724 -4.3724 -4.1771 -4.1771 -2.3118 -2.3118 -2.1434 -2.1434 -0.7049 -0.7049 -0.6653 -0.6653 -0.5706 -0.5706 -0.3426 -0.3426 -0.0164 -0.0164 -0.0022 -0.0022 0.0505 0.0505 0.1075 0.1075 0.3486 0.3486 0.5921 0.5921 4.0245 4.0245 4.0934 4.0934 5.6000 5.6000 6.3364 6.3364 6.4819 6.4819 6.9881 6.9881 10.0581 10.0581 10.3912 10.3912 11.4782 11.4782 12.0483 12.0483 k = 0.2482 0.4299 0.2935 ( 3618 PWs) bands (ev): -19.3641 -19.3641 -6.1662 -6.1662 -4.3710 -4.3710 -4.1741 -4.1741 -2.3146 -2.3146 -2.1448 -2.1448 -0.7056 -0.7056 -0.6681 -0.6681 -0.5704 -0.5704 -0.3505 -0.3505 -0.0182 -0.0182 -0.0029 -0.0029 0.0504 0.0504 0.1081 0.1081 0.3357 0.3357 0.5874 0.5874 4.0464 4.0464 4.1042 4.1042 5.6395 5.6395 6.3490 6.3490 6.5347 6.5347 7.0196 7.0196 10.0425 10.0425 10.3723 10.3723 11.4138 11.4138 11.9688 11.9688 k = 0.2411 0.4177 0.2935 ( 3614 PWs) bands (ev): -19.3647 -19.3647 -6.1641 -6.1641 -4.3693 -4.3693 -4.1711 -4.1711 -2.3168 -2.3168 -2.1469 -2.1469 -0.7064 -0.7064 -0.6709 -0.6709 -0.5707 -0.5707 -0.3589 -0.3589 -0.0207 -0.0207 -0.0029 -0.0029 0.0503 0.0503 0.1085 0.1085 0.3227 0.3227 0.5815 0.5815 4.0721 4.0721 4.1171 4.1171 5.6825 5.6825 6.3638 6.3638 6.5903 6.5903 7.0484 7.0484 10.0298 10.0298 10.3542 10.3542 11.3538 11.3538 11.8873 11.8873 k = 0.2340 0.4054 0.2935 ( 3614 PWs) bands (ev): -19.3655 -19.3655 -6.1617 -6.1617 -4.3674 -4.3674 -4.1680 -4.1680 -2.3184 -2.3184 -2.1498 -2.1498 -0.7073 -0.7073 -0.6738 -0.6738 -0.5715 -0.5715 -0.3677 -0.3677 -0.0237 -0.0237 -0.0026 -0.0026 0.0501 0.0501 0.1086 0.1086 0.3099 0.3099 0.5742 0.5742 4.0983 4.0983 4.1357 4.1357 5.7290 5.7290 6.3813 6.3813 6.6475 6.6475 7.0741 7.0741 10.0203 10.0203 10.3374 10.3374 11.2989 11.2989 11.8048 11.8048 k = 0.2270 0.3931 0.2935 ( 3622 PWs) bands (ev): -19.3663 -19.3663 -6.1591 -6.1591 -4.3653 -4.3653 -4.1649 -4.1649 -2.3194 -2.3194 -2.1535 -2.1535 -0.7083 -0.7083 -0.6767 -0.6767 -0.5729 -0.5729 -0.3768 -0.3768 -0.0270 -0.0270 -0.0020 -0.0020 0.0496 0.0496 0.1087 0.1087 0.2973 0.2973 0.5654 0.5654 4.1184 4.1184 4.1668 4.1668 5.7790 5.7790 6.4013 6.4013 6.7054 6.7054 7.0968 7.0968 10.0142 10.0142 10.3221 10.3221 11.2494 11.2494 11.7217 11.7217 k = 0.2199 0.3808 0.2935 ( 3622 PWs) bands (ev): -19.3672 -19.3672 -6.1564 -6.1564 -4.3631 -4.3631 -4.1616 -4.1616 -2.3199 -2.3199 -2.1580 -2.1580 -0.7093 -0.7093 -0.6795 -0.6795 -0.5748 -0.5748 -0.3861 -0.3861 -0.0304 -0.0304 -0.0012 -0.0012 0.0485 0.0485 0.1088 0.1088 0.2853 0.2853 0.5553 0.5553 4.1329 4.1329 4.2099 4.2099 5.8324 5.8324 6.4236 6.4236 6.7633 6.7633 7.1164 7.1164 10.0116 10.0116 10.3086 10.3086 11.2057 11.2057 11.6385 11.6385 k = 0.2128 0.3685 0.2935 ( 3622 PWs) bands (ev): -19.3681 -19.3681 -6.1534 -6.1534 -4.3609 -4.3609 -4.1581 -4.1581 -2.3198 -2.3198 -2.1632 -2.1632 -0.7105 -0.7105 -0.6823 -0.6823 -0.5775 -0.5775 -0.3956 -0.3956 -0.0340 -0.0340 -0.0005 -0.0005 0.0467 0.0467 0.1092 0.1092 0.2740 0.2740 0.5439 0.5439 4.1454 4.1454 4.2615 4.2615 5.8894 5.8894 6.4480 6.4480 6.8202 6.8202 7.1331 7.1331 10.0127 10.0127 10.2969 10.2969 11.1682 11.1682 11.5551 11.5551 k = 0.2057 0.3562 0.2935 ( 3618 PWs) bands (ev): -19.3690 -19.3690 -6.1504 -6.1504 -4.3587 -4.3587 -4.1544 -4.1544 -2.3193 -2.3193 -2.1690 -2.1690 -0.7118 -0.7118 -0.6851 -0.6851 -0.5809 -0.5809 -0.4051 -0.4051 -0.0376 -0.0376 0.0002 0.0002 0.0440 0.0440 0.1100 0.1100 0.2635 0.2635 0.5312 0.5312 4.1575 4.1575 4.3200 4.3200 5.9496 5.9496 6.4742 6.4742 6.8753 6.8753 7.1473 7.1473 10.0177 10.0177 10.2868 10.2868 11.1371 11.1371 11.4717 11.4717 k = 0.1986 0.3440 0.2935 ( 3622 PWs) bands (ev): -19.3700 -19.3700 -6.1472 -6.1472 -4.3566 -4.3566 -4.1502 -4.1502 -2.3185 -2.3185 -2.1755 -2.1755 -0.7132 -0.7132 -0.6877 -0.6877 -0.5850 -0.5850 -0.4145 -0.4145 -0.0412 -0.0412 0.0008 0.0008 0.0404 0.0404 0.1113 0.1113 0.2539 0.2539 0.5174 0.5174 4.1695 4.1695 4.3849 4.3849 6.0132 6.0132 6.5020 6.5020 6.9271 6.9271 7.1597 7.1597 10.0267 10.0267 10.2783 10.2783 11.1125 11.1125 11.3886 11.3886 k = 0.1915 0.3317 0.2935 ( 3618 PWs) bands (ev): -19.3710 -19.3710 -6.1438 -6.1438 -4.3547 -4.3547 -4.1456 -4.1456 -2.3176 -2.3176 -2.1824 -2.1824 -0.7148 -0.7148 -0.6902 -0.6902 -0.5899 -0.5899 -0.4238 -0.4238 -0.0448 -0.0448 0.0013 0.0013 0.0359 0.0359 0.1133 0.1133 0.2451 0.2451 0.5026 0.5026 4.1817 4.1817 4.4559 4.4559 6.0798 6.0798 6.5311 6.5311 6.9739 6.9739 7.1718 7.1718 10.0398 10.0398 10.2711 10.2711 11.0940 11.0940 11.3061 11.3061 k = 0.1844 0.3194 0.2935 ( 3630 PWs) bands (ev): -19.3721 -19.3721 -6.1405 -6.1405 -4.3530 -4.3530 -4.1404 -4.1404 -2.3166 -2.3166 -2.1896 -2.1896 -0.7165 -0.7165 -0.6925 -0.6925 -0.5956 -0.5956 -0.4328 -0.4328 -0.0484 -0.0484 0.0014 0.0014 0.0308 0.0308 0.1158 0.1158 0.2372 0.2372 0.4870 0.4870 4.1942 4.1942 4.5328 4.5328 6.1493 6.1493 6.5613 6.5613 7.0129 7.0129 7.1859 7.1859 10.0572 10.0572 10.2646 10.2646 11.0808 11.0808 11.2250 11.2250 k = 0.1773 0.3071 0.2935 ( 3620 PWs) bands (ev): -19.3732 -19.3732 -6.1370 -6.1370 -4.3515 -4.3515 -4.1346 -4.1346 -2.3158 -2.3158 -2.1969 -2.1969 -0.7184 -0.7184 -0.6947 -0.6947 -0.6020 -0.6020 -0.4416 -0.4416 -0.0519 -0.0519 0.0011 0.0011 0.0253 0.0253 0.1189 0.1189 0.2301 0.2301 0.4708 0.4708 4.2071 4.2071 4.6154 4.6154 6.2215 6.2215 6.5925 6.5925 7.0409 7.0409 7.2050 7.2050 10.0787 10.0787 10.2585 10.2585 11.0686 11.0686 11.1494 11.1494 k = 0.1702 0.2948 0.2935 ( 3620 PWs) bands (ev): -19.3743 -19.3743 -6.1335 -6.1335 -4.3504 -4.3504 -4.1280 -4.1280 -2.3157 -2.3157 -2.2039 -2.2039 -0.7204 -0.7204 -0.6966 -0.6966 -0.6091 -0.6091 -0.4500 -0.4500 -0.0554 -0.0554 -0.0003 -0.0003 0.0201 0.0201 0.1224 0.1224 0.2236 0.2236 0.4541 0.4541 4.2203 4.2203 4.7033 4.7033 6.2962 6.2962 6.6245 6.6245 7.0562 7.0562 7.2307 7.2307 10.1044 10.1044 10.2518 10.2518 11.0333 11.0333 11.1033 11.1033 k = 0.1631 0.2825 0.2935 ( 3624 PWs) bands (ev): -19.3754 -19.3754 -6.1301 -6.1301 -4.3496 -4.3496 -4.1208 -4.1208 -2.3165 -2.3165 -2.2103 -2.2103 -0.7226 -0.7226 -0.6983 -0.6983 -0.6168 -0.6168 -0.4581 -0.4581 -0.0588 -0.0588 -0.0031 -0.0031 0.0159 0.0159 0.1262 0.1262 0.2178 0.2178 0.4371 0.4371 4.2338 4.2338 4.7964 4.7964 6.3730 6.3730 6.6573 6.6573 7.0604 7.0604 7.2613 7.2613 10.1340 10.1340 10.2437 10.2437 10.9626 10.9626 11.0982 11.0982 k = 0.1560 0.2702 0.2935 ( 3628 PWs) bands (ev): -19.3765 -19.3765 -6.1266 -6.1266 -4.3492 -4.3492 -4.1128 -4.1128 -2.3186 -2.3186 -2.2158 -2.2158 -0.7250 -0.7250 -0.6998 -0.6998 -0.6250 -0.6250 -0.4659 -0.4659 -0.0622 -0.0622 -0.0076 -0.0076 0.0133 0.0133 0.1303 0.1303 0.2125 0.2125 0.4200 0.4200 4.2477 4.2477 4.8944 4.8944 6.4515 6.4515 6.6908 6.6908 7.0564 7.0564 7.2938 7.2938 10.1670 10.1670 10.2332 10.2332 10.8848 10.8848 11.1058 11.1058 k = 0.1489 0.2580 0.2935 ( 3624 PWs) bands (ev): -19.3777 -19.3777 -6.1232 -6.1232 -4.3492 -4.3492 -4.1041 -4.1041 -2.3226 -2.3226 -2.2198 -2.2198 -0.7274 -0.7274 -0.7012 -0.7012 -0.6336 -0.6336 -0.4734 -0.4734 -0.0655 -0.0655 -0.0134 -0.0134 0.0117 0.0117 0.1346 0.1346 0.2075 0.2075 0.4031 0.4031 4.2618 4.2618 4.9971 4.9971 6.5314 6.5314 6.7250 6.7250 7.0468 7.0468 7.3261 7.3261 10.1984 10.1984 10.2232 10.2232 10.8068 10.8068 11.1187 11.1187 k = 0.1418 0.2457 0.2935 ( 3624 PWs) bands (ev): -19.3788 -19.3788 -6.1199 -6.1199 -4.3494 -4.3494 -4.0946 -4.0946 -2.3286 -2.3286 -2.2221 -2.2221 -0.7300 -0.7300 -0.7024 -0.7024 -0.6425 -0.6425 -0.4806 -0.4806 -0.0688 -0.0688 -0.0198 -0.0198 0.0107 0.0107 0.1389 0.1389 0.2029 0.2029 0.3864 0.3864 4.2762 4.2762 5.1041 5.1041 6.6120 6.6120 6.7600 6.7600 7.0334 7.0334 7.3565 7.3565 10.1912 10.1912 10.2484 10.2484 10.7308 10.7308 11.1351 11.1351 k = 0.1348 0.2334 0.2935 ( 3626 PWs) bands (ev): -19.3799 -19.3799 -6.1166 -6.1166 -4.3500 -4.3500 -4.0844 -4.0844 -2.3365 -2.3365 -2.2228 -2.2228 -0.7326 -0.7326 -0.7035 -0.7035 -0.6514 -0.6514 -0.4875 -0.4875 -0.0720 -0.0720 -0.0262 -0.0262 0.0099 0.0099 0.1433 0.1433 0.1985 0.1985 0.3702 0.3702 4.2907 4.2907 5.2152 5.2152 6.6924 6.6924 6.7961 6.7961 7.0176 7.0176 7.3843 7.3843 10.1637 10.1637 10.2870 10.2870 10.6592 10.6592 11.1549 11.1549 k = 0.1277 0.2211 0.2935 ( 3626 PWs) bands (ev): -19.3811 -19.3811 -6.1135 -6.1135 -4.3509 -4.3509 -4.0736 -4.0736 -2.3462 -2.3462 -2.2221 -2.2221 -0.7352 -0.7352 -0.7046 -0.7046 -0.6602 -0.6602 -0.4942 -0.4942 -0.0751 -0.0751 -0.0324 -0.0324 0.0091 0.0091 0.1477 0.1477 0.1943 0.1943 0.3547 0.3547 4.3053 4.3053 5.3301 5.3301 6.7704 6.7704 6.8343 6.8343 7.0010 7.0010 7.4091 7.4091 10.1272 10.1272 10.3218 10.3218 10.5973 10.5973 11.1788 11.1788 k = 0.1206 0.2088 0.2935 ( 3642 PWs) bands (ev): -19.3822 -19.3822 -6.1105 -6.1105 -4.3520 -4.3520 -4.0623 -4.0623 -2.3574 -2.3574 -2.2202 -2.2202 -0.7378 -0.7378 -0.7059 -0.7059 -0.6687 -0.6687 -0.5006 -0.5006 -0.0782 -0.0782 -0.0382 -0.0382 0.0080 0.0080 0.1519 0.1519 0.1902 0.1902 0.3400 0.3400 4.3199 4.3199 5.4483 5.4483 6.8392 6.8392 6.8782 6.8782 6.9871 6.9871 7.4308 7.4308 10.0822 10.0822 10.3391 10.3391 10.5580 10.5580 11.2076 11.2076 k = 0.1135 0.1965 0.2935 ( 3638 PWs) bands (ev): -19.3832 -19.3832 -6.1076 -6.1076 -4.3533 -4.3533 -4.0505 -4.0505 -2.3697 -2.3697 -2.2175 -2.2175 -0.7404 -0.7404 -0.7076 -0.7076 -0.6764 -0.6764 -0.5068 -0.5068 -0.0812 -0.0812 -0.0436 -0.0436 0.0068 0.0068 0.1559 0.1559 0.1863 0.1863 0.3262 0.3262 4.3344 4.3344 5.5696 5.5696 6.8876 6.8876 6.9219 6.9219 6.9931 6.9931 7.4496 7.4496 10.0288 10.0288 10.3216 10.3216 10.5582 10.5582 11.2404 11.2404 k = 0.1064 0.1843 0.2935 ( 3638 PWs) bands (ev): -19.3843 -19.3843 -6.1049 -6.1049 -4.3547 -4.3547 -4.0383 -4.0383 -2.3827 -2.3827 -2.2142 -2.2142 -0.7429 -0.7429 -0.7103 -0.7103 -0.6829 -0.6829 -0.5129 -0.5129 -0.0841 -0.0841 -0.0485 -0.0485 0.0052 0.0052 0.1594 0.1594 0.1827 0.1827 0.3134 0.3134 4.3487 4.3487 5.6933 5.6933 6.9095 6.9095 6.9431 6.9431 7.0474 7.0474 7.4654 7.4654 9.9672 9.9672 10.2752 10.2752 10.5921 10.5921 11.2741 11.2741 k = 0.0993 0.1720 0.2935 ( 3638 PWs) bands (ev): -19.3853 -19.3853 -6.1024 -6.1024 -4.3562 -4.3562 -4.0260 -4.0260 -2.3963 -2.3963 -2.2105 -2.2105 -0.7454 -0.7454 -0.7142 -0.7142 -0.6877 -0.6877 -0.5187 -0.5187 -0.0869 -0.0869 -0.0529 -0.0529 0.0034 0.0034 0.1621 0.1621 0.1798 0.1798 0.3018 0.3018 4.3626 4.3626 5.8189 5.8189 6.8998 6.8998 6.9780 6.9780 7.1191 7.1191 7.4787 7.4787 9.8980 9.8980 10.2174 10.2174 10.6415 10.6415 11.3052 11.3052 k = 0.0922 0.1597 0.2935 ( 3634 PWs) bands (ev): -19.3863 -19.3863 -6.1000 -6.1000 -4.3578 -4.3578 -4.0135 -4.0135 -2.4100 -2.4100 -2.2067 -2.2067 -0.7477 -0.7477 -0.7194 -0.7194 -0.6906 -0.6906 -0.5244 -0.5244 -0.0895 -0.0895 -0.0569 -0.0569 0.0012 0.0012 0.1633 0.1633 0.1783 0.1783 0.2914 0.2914 4.3761 4.3761 5.9453 5.9453 6.8844 6.8844 7.0168 7.0168 7.1918 7.1918 7.4898 7.4898 9.8213 9.8213 10.1573 10.1573 10.6971 10.6971 11.3323 11.3323 k = 0.0851 0.1474 0.2935 ( 3638 PWs) bands (ev): -19.3872 -19.3872 -6.0978 -6.0978 -4.3594 -4.3594 -4.0011 -4.0011 -2.4238 -2.4238 -2.2028 -2.2028 -0.7499 -0.7499 -0.7254 -0.7254 -0.6922 -0.6922 -0.5299 -0.5299 -0.0918 -0.0918 -0.0604 -0.0604 -0.0013 -0.0013 0.1624 0.1624 0.1787 0.1787 0.2822 0.2822 4.3891 4.3891 6.0714 6.0714 6.8703 6.8703 7.0568 7.0568 7.2622 7.2622 7.4989 7.4989 9.7376 9.7376 10.0986 10.0986 10.7540 10.7540 11.3546 11.3546 k = 0.0780 0.1351 0.2935 ( 3650 PWs) bands (ev): -19.3881 -19.3881 -6.0958 -6.0958 -4.3610 -4.3610 -3.9889 -3.9889 -2.4374 -2.4374 -2.1989 -2.1989 -0.7520 -0.7520 -0.7318 -0.7318 -0.6928 -0.6928 -0.5351 -0.5351 -0.0939 -0.0939 -0.0636 -0.0636 -0.0041 -0.0041 0.1600 0.1600 0.1806 0.1806 0.2741 0.2741 4.4014 4.4014 6.1949 6.1949 6.8605 6.8605 7.0974 7.0974 7.3283 7.3283 7.5066 7.5066 9.6469 9.6469 10.0435 10.0435 10.8093 10.8093 11.3669 11.3669 k = 0.0709 0.1228 0.2935 ( 3646 PWs) bands (ev): -19.3889 -19.3889 -6.0940 -6.0940 -4.3626 -4.3626 -3.9770 -3.9770 -2.4505 -2.4505 -2.1952 -2.1952 -0.7540 -0.7540 -0.7381 -0.7381 -0.6928 -0.6928 -0.5401 -0.5401 -0.0957 -0.0957 -0.0664 -0.0664 -0.0072 -0.0072 0.1571 0.1571 0.1829 0.1829 0.2671 0.2671 4.4130 4.4130 6.3122 6.3122 6.8590 6.8590 7.1384 7.1384 7.3888 7.3888 7.5134 7.5134 9.5497 9.5497 9.9931 9.9931 10.8601 10.8601 11.3360 11.3360 k = 0.0638 0.1106 0.2935 ( 3630 PWs) bands (ev): -19.3896 -19.3896 -6.0924 -6.0924 -4.3641 -4.3641 -3.9656 -3.9656 -2.4631 -2.4631 -2.1916 -2.1916 -0.7558 -0.7558 -0.7441 -0.7441 -0.6926 -0.6926 -0.5448 -0.5448 -0.0972 -0.0972 -0.0690 -0.0690 -0.0104 -0.0104 0.1540 0.1540 0.1854 0.1854 0.2611 0.2611 4.4238 4.4238 6.4168 6.4168 6.8717 6.8717 7.1796 7.1796 7.4422 7.4422 7.5203 7.5203 9.4464 9.4464 9.9483 9.9483 10.9036 10.9036 11.2714 11.2714 k = 0.0567 0.0983 0.2935 ( 3624 PWs) bands (ev): -19.3903 -19.3903 -6.0910 -6.0910 -4.3654 -4.3654 -3.9549 -3.9549 -2.4749 -2.4749 -2.1884 -2.1884 -0.7574 -0.7574 -0.7497 -0.7497 -0.6920 -0.6920 -0.5492 -0.5492 -0.0984 -0.0984 -0.0713 -0.0713 -0.0137 -0.0137 0.1512 0.1512 0.1877 0.1877 0.2561 0.2561 4.4337 4.4337 6.4992 6.4992 6.9077 6.9077 7.2204 7.2204 7.4856 7.4856 7.5298 7.5298 9.3379 9.3379 9.9099 9.9099 10.9374 10.9374 11.2044 11.2044 k = 0.0496 0.0860 0.2935 ( 3620 PWs) bands (ev): -19.3909 -19.3909 -6.0897 -6.0897 -4.3667 -4.3667 -3.9450 -3.9450 -2.4859 -2.4859 -2.1854 -2.1854 -0.7589 -0.7589 -0.7547 -0.7547 -0.6914 -0.6914 -0.5532 -0.5532 -0.0992 -0.0992 -0.0735 -0.0735 -0.0169 -0.0169 0.1486 0.1486 0.1898 0.1898 0.2519 0.2519 4.4425 4.4425 6.5526 6.5526 6.9728 6.9728 7.2604 7.2604 7.5122 7.5122 7.5486 7.5486 9.2253 9.2253 9.8782 9.8782 10.9597 10.9597 11.1422 11.1422 k = 0.0426 0.0737 0.2935 ( 3620 PWs) bands (ev): -19.3914 -19.3914 -6.0886 -6.0886 -4.3678 -4.3678 -3.9360 -3.9360 -2.4957 -2.4957 -2.1828 -2.1828 -0.7605 -0.7605 -0.7588 -0.7588 -0.6907 -0.6907 -0.5569 -0.5569 -0.0997 -0.0997 -0.0755 -0.0755 -0.0201 -0.0201 0.1463 0.1463 0.1916 0.1916 0.2484 0.2484 4.4504 4.4504 6.5804 6.5804 7.0619 7.0619 7.2987 7.2987 7.5250 7.5250 7.5744 7.5744 9.1103 9.1103 9.8532 9.8532 10.9701 10.9701 11.0874 11.0874 k = 0.0355 0.0614 0.2935 ( 3616 PWs) bands (ev): -19.3919 -19.3919 -6.0877 -6.0877 -4.3688 -4.3688 -3.9282 -3.9282 -2.5043 -2.5043 -2.1805 -2.1805 -0.7633 -0.7633 -0.7609 -0.7609 -0.6900 -0.6900 -0.5600 -0.5600 -0.1000 -0.1000 -0.0773 -0.0773 -0.0229 -0.0229 0.1444 0.1444 0.1932 0.1932 0.2457 0.2457 4.4571 4.4571 6.5924 6.5924 7.1628 7.1628 7.3342 7.3342 7.5348 7.5348 7.5974 7.5974 8.9952 8.9952 9.8346 9.8346 10.9698 10.9698 11.0413 11.0413 k = 0.0284 0.0491 0.2935 ( 3620 PWs) bands (ev): -19.3923 -19.3923 -6.0870 -6.0870 -4.3696 -4.3696 -3.9215 -3.9215 -2.5115 -2.5115 -2.1786 -2.1786 -0.7664 -0.7664 -0.7619 -0.7619 -0.6893 -0.6893 -0.5627 -0.5627 -0.1000 -0.1000 -0.0789 -0.0789 -0.0254 -0.0254 0.1429 0.1429 0.1944 0.1944 0.2435 0.2435 4.4626 4.4626 6.5962 6.5962 7.2634 7.2634 7.3653 7.3653 7.5452 7.5452 7.6167 7.6167 8.8833 8.8833 9.8216 9.8216 10.9607 10.9607 11.0053 11.0053 k = 0.0213 0.0369 0.2935 ( 3626 PWs) bands (ev): -19.3926 -19.3926 -6.0864 -6.0864 -4.3702 -4.3702 -3.9163 -3.9163 -2.5172 -2.5172 -2.1772 -2.1772 -0.7688 -0.7688 -0.7627 -0.7627 -0.6887 -0.6887 -0.5649 -0.5649 -0.0998 -0.0998 -0.0804 -0.0804 -0.0275 -0.0275 0.1417 0.1417 0.1954 0.1954 0.2419 0.2419 4.4670 4.4670 6.5965 6.5965 7.3523 7.3523 7.3916 7.3916 7.5544 7.5544 7.6363 7.6363 8.7800 8.7800 9.8134 9.8134 10.9456 10.9456 10.9804 10.9804 k = 0.0142 0.0246 0.2935 ( 3640 PWs) bands (ev): -19.3928 -19.3928 -6.0860 -6.0860 -4.3707 -4.3707 -3.9124 -3.9124 -2.5214 -2.5214 -2.1761 -2.1761 -0.7706 -0.7706 -0.7632 -0.7632 -0.6883 -0.6883 -0.5664 -0.5664 -0.0996 -0.0996 -0.0815 -0.0815 -0.0290 -0.0290 0.1408 0.1408 0.1961 0.1961 0.2408 0.2408 4.4701 4.4701 6.5956 6.5956 7.4017 7.4017 7.4315 7.4315 7.5569 7.5569 7.6617 7.6617 8.6927 8.6927 9.8086 9.8086 10.9298 10.9298 10.9647 10.9647 k = 0.0071 0.0123 0.2935 ( 3640 PWs) bands (ev): -19.3929 -19.3929 -6.0858 -6.0858 -4.3710 -4.3710 -3.9101 -3.9101 -2.5239 -2.5239 -2.1755 -2.1755 -0.7717 -0.7717 -0.7635 -0.7635 -0.6880 -0.6880 -0.5674 -0.5674 -0.0994 -0.0994 -0.0822 -0.0822 -0.0299 -0.0299 0.1403 0.1403 0.1965 0.1965 0.2402 0.2402 4.4720 4.4720 6.5947 6.5947 7.4140 7.4140 7.4787 7.4787 7.5499 7.5499 7.6878 7.6878 8.6324 8.6324 9.8063 9.8063 10.9188 10.9188 10.9557 10.9557 k = 0.0000 0.0000 0.2935 ( 3628 PWs) bands (ev): -19.3930 -19.3930 -6.0857 -6.0857 -4.3711 -4.3711 -3.9093 -3.9093 -2.5248 -2.5248 -2.1753 -2.1753 -0.7720 -0.7720 -0.7636 -0.7636 -0.6879 -0.6879 -0.5677 -0.5677 -0.0993 -0.0993 -0.0824 -0.0824 -0.0302 -0.0302 0.1402 0.1402 0.1967 0.1967 0.2399 0.2399 4.4726 4.4726 6.5943 6.5943 7.4175 7.4175 7.5000 7.5000 7.5416 7.5416 7.6993 7.6993 8.6104 8.6104 9.8056 9.8056 10.9149 10.9149 10.9527 10.9527 k = 0.5000 0.2887 0.2935 ( 3628 PWs) bands (ev): -19.3639 -19.3639 -6.1740 -6.1740 -4.4234 -4.4234 -4.0802 -4.0802 -2.4337 -2.4337 -2.0696 -2.0696 -0.6907 -0.6907 -0.6788 -0.6788 -0.5479 -0.5479 -0.3401 -0.3401 -0.0287 -0.0287 -0.0196 -0.0196 0.0347 0.0347 0.1589 0.1589 0.4238 0.4238 0.4987 0.4987 3.8305 3.8305 3.9344 3.9344 5.8399 5.8399 6.0350 6.0350 7.3825 7.3825 7.6113 7.6113 9.2588 9.2588 10.1555 10.1555 10.2976 10.2976 11.2869 11.2869 k = 0.5000 0.2887 0.2795 ( 3630 PWs) bands (ev): -19.3639 -19.3639 -6.1741 -6.1741 -4.4234 -4.4234 -4.0802 -4.0802 -2.4335 -2.4335 -2.0696 -2.0696 -0.6907 -0.6907 -0.6788 -0.6788 -0.5478 -0.5478 -0.3403 -0.3403 -0.0287 -0.0287 -0.0196 -0.0196 0.0348 0.0348 0.1588 0.1588 0.4238 0.4238 0.4986 0.4986 3.8270 3.8270 3.9378 3.9378 5.8423 5.8423 6.0364 6.0364 7.3769 7.3769 7.6056 7.6056 9.2628 9.2628 10.1580 10.1580 10.3029 10.3029 11.2880 11.2880 k = 0.5000 0.2887 0.2656 ( 3622 PWs) bands (ev): -19.3639 -19.3639 -6.1741 -6.1741 -4.4236 -4.4236 -4.0802 -4.0802 -2.4326 -2.4326 -2.0696 -2.0696 -0.6908 -0.6908 -0.6790 -0.6790 -0.5473 -0.5473 -0.3408 -0.3408 -0.0288 -0.0288 -0.0197 -0.0197 0.0352 0.0352 0.1585 0.1585 0.4236 0.4236 0.4982 0.4982 3.8175 3.8175 3.9473 3.9473 5.8495 5.8495 6.0406 6.0406 7.3600 7.3600 7.5895 7.5895 9.2737 9.2737 10.1669 10.1669 10.3179 10.3179 11.2914 11.2914 k = 0.5000 0.2887 0.2516 ( 3624 PWs) bands (ev): -19.3639 -19.3639 -6.1741 -6.1741 -4.4239 -4.4239 -4.0801 -4.0801 -2.4313 -2.4313 -2.0697 -2.0697 -0.6909 -0.6909 -0.6792 -0.6792 -0.5466 -0.5466 -0.3417 -0.3417 -0.0290 -0.0290 -0.0199 -0.0199 0.0358 0.0358 0.1581 0.1581 0.4233 0.4233 0.4976 0.4976 3.8038 3.8038 3.9612 3.9612 5.8612 5.8612 6.0477 6.0477 7.3314 7.3314 7.5649 7.5649 9.2890 9.2890 10.1849 10.1849 10.3408 10.3408 11.2968 11.2968 k = 0.5000 0.2887 0.2376 ( 3620 PWs) bands (ev): -19.3639 -19.3639 -6.1742 -6.1742 -4.4243 -4.4243 -4.0801 -4.0801 -2.4295 -2.4295 -2.0697 -2.0697 -0.6910 -0.6910 -0.6794 -0.6794 -0.5456 -0.5456 -0.3428 -0.3428 -0.0293 -0.0293 -0.0201 -0.0201 0.0367 0.0367 0.1575 0.1575 0.4229 0.4229 0.4968 0.4968 3.7872 3.7872 3.9782 3.9782 5.8772 5.8772 6.0575 6.0575 7.2911 7.2911 7.5347 7.5347 9.3052 9.3052 10.2152 10.2152 10.3697 10.3697 11.3039 11.3039 k = 0.5000 0.2887 0.2236 ( 3618 PWs) bands (ev): -19.3639 -19.3639 -6.1743 -6.1743 -4.4249 -4.4249 -4.0801 -4.0801 -2.4272 -2.4272 -2.0698 -2.0698 -0.6913 -0.6913 -0.6797 -0.6797 -0.5444 -0.5444 -0.3443 -0.3443 -0.0298 -0.0298 -0.0202 -0.0202 0.0377 0.0377 0.1567 0.1567 0.4224 0.4224 0.4959 0.4959 3.7685 3.7685 3.9977 3.9977 5.8968 5.8968 6.0700 6.0700 7.2398 7.2398 7.5009 7.5009 9.3188 9.3188 10.2600 10.2600 10.4034 10.4034 11.3123 11.3123 k = 0.5000 0.2887 0.2097 ( 3618 PWs) bands (ev): -19.3639 -19.3639 -6.1743 -6.1743 -4.4255 -4.4255 -4.0800 -4.0800 -2.4245 -2.4245 -2.0698 -2.0698 -0.6916 -0.6916 -0.6799 -0.6799 -0.5429 -0.5429 -0.3461 -0.3461 -0.0304 -0.0304 -0.0202 -0.0202 0.0389 0.0389 0.1557 0.1557 0.4217 0.4217 0.4948 0.4948 3.7485 3.7485 4.0194 4.0194 5.9198 5.9198 6.0852 6.0852 7.1789 7.1789 7.4649 7.4649 9.3275 9.3275 10.3192 10.3192 10.4418 10.4418 11.3215 11.3215 k = 0.5000 0.2887 0.1957 ( 3606 PWs) bands (ev): -19.3639 -19.3639 -6.1744 -6.1744 -4.4261 -4.4261 -4.0799 -4.0799 -2.4214 -2.4214 -2.0699 -2.0699 -0.6920 -0.6920 -0.6802 -0.6802 -0.5412 -0.5412 -0.3481 -0.3481 -0.0313 -0.0313 -0.0201 -0.0201 0.0403 0.0403 0.1547 0.1547 0.4209 0.4209 0.4936 0.4936 3.7274 3.7274 4.0430 4.0430 5.9453 5.9453 6.1029 6.1029 7.1106 7.1106 7.4273 7.4273 9.3304 9.3304 10.3891 10.3891 10.4874 10.4874 11.3311 11.3311 k = 0.5000 0.2887 0.1817 ( 3618 PWs) bands (ev): -19.3639 -19.3639 -6.1745 -6.1745 -4.4269 -4.4269 -4.0799 -4.0799 -2.4181 -2.4181 -2.0699 -2.0699 -0.6926 -0.6926 -0.6803 -0.6803 -0.5394 -0.5394 -0.3503 -0.3503 -0.0323 -0.0323 -0.0199 -0.0199 0.0417 0.0417 0.1536 0.1536 0.4200 0.4200 0.4924 0.4924 3.7058 3.7058 4.0684 4.0684 5.9729 5.9729 6.1230 6.1230 7.0373 7.0373 7.3881 7.3881 9.3276 9.3276 10.4589 10.4589 10.5487 10.5487 11.3405 11.3405 k = 0.5000 0.2887 0.1677 ( 3628 PWs) bands (ev): -19.3639 -19.3639 -6.1746 -6.1746 -4.4277 -4.4277 -4.0798 -4.0798 -2.4146 -2.4146 -2.0700 -2.0700 -0.6933 -0.6933 -0.6804 -0.6804 -0.5374 -0.5374 -0.3527 -0.3527 -0.0334 -0.0334 -0.0196 -0.0196 0.0432 0.0432 0.1523 0.1523 0.4190 0.4190 0.4912 0.4912 3.6840 3.6840 4.0952 4.0952 6.0018 6.0018 6.1455 6.1455 6.9612 6.9612 7.3476 7.3476 9.3203 9.3203 10.5160 10.5160 10.6356 10.6356 11.3497 11.3497 k = 0.5000 0.2887 0.1537 ( 3628 PWs) bands (ev): -19.3639 -19.3639 -6.1748 -6.1748 -4.4285 -4.4285 -4.0798 -4.0798 -2.4110 -2.4110 -2.0700 -2.0700 -0.6941 -0.6941 -0.6804 -0.6804 -0.5353 -0.5353 -0.3552 -0.3552 -0.0346 -0.0346 -0.0192 -0.0192 0.0448 0.0448 0.1511 0.1511 0.4178 0.4178 0.4900 0.4900 3.6624 3.6624 4.1232 4.1232 6.0314 6.0314 6.1702 6.1702 6.8840 6.8840 7.3058 7.3058 9.3095 9.3095 10.5632 10.5632 10.7415 10.7415 11.3592 11.3592 k = 0.5000 0.2887 0.1398 ( 3620 PWs) bands (ev): -19.3639 -19.3639 -6.1749 -6.1749 -4.4293 -4.4293 -4.0797 -4.0797 -2.4074 -2.4074 -2.0700 -2.0700 -0.6949 -0.6949 -0.6803 -0.6803 -0.5331 -0.5331 -0.3578 -0.3578 -0.0359 -0.0359 -0.0188 -0.0188 0.0463 0.0463 0.1498 0.1498 0.4166 0.4166 0.4889 0.4889 3.6413 3.6413 4.1520 4.1520 6.0610 6.0610 6.1968 6.1968 6.8075 6.8075 7.2629 7.2629 9.2965 9.2965 10.6068 10.6068 10.8558 10.8558 11.3708 11.3708 k = 0.5000 0.2887 0.1258 ( 3614 PWs) bands (ev): -19.3639 -19.3639 -6.1750 -6.1750 -4.4301 -4.4301 -4.0796 -4.0796 -2.4038 -2.4038 -2.0699 -2.0699 -0.6959 -0.6959 -0.6802 -0.6802 -0.5309 -0.5309 -0.3604 -0.3604 -0.0372 -0.0372 -0.0183 -0.0183 0.0479 0.0479 0.1485 0.1485 0.4153 0.4153 0.4879 0.4879 3.6211 3.6211 4.1811 4.1811 6.0901 6.0901 6.2250 6.2250 6.7330 6.7330 7.2194 7.2194 9.2824 9.2824 10.6493 10.6493 10.9688 10.9688 11.3894 11.3894 k = 0.5000 0.2887 0.1118 ( 3610 PWs) bands (ev): -19.3639 -19.3639 -6.1751 -6.1751 -4.4309 -4.4309 -4.0796 -4.0796 -2.4004 -2.4004 -2.0699 -2.0699 -0.6968 -0.6968 -0.6800 -0.6800 -0.5288 -0.5288 -0.3630 -0.3630 -0.0385 -0.0385 -0.0178 -0.0178 0.0493 0.0493 0.1473 0.1473 0.4140 0.4140 0.4870 0.4870 3.6021 3.6021 4.2100 4.2100 6.1180 6.1180 6.2546 6.2546 6.6619 6.6619 7.1757 7.1757 9.2679 9.2679 10.6914 10.6914 11.0666 11.0666 11.4262 11.4262 k = 0.5000 0.2887 0.0978 ( 3618 PWs) bands (ev): -19.3639 -19.3639 -6.1752 -6.1752 -4.4316 -4.4316 -4.0795 -4.0795 -2.3971 -2.3971 -2.0698 -2.0698 -0.6977 -0.6977 -0.6799 -0.6799 -0.5268 -0.5268 -0.3655 -0.3655 -0.0397 -0.0397 -0.0174 -0.0174 0.0507 0.0507 0.1462 0.1462 0.4128 0.4128 0.4862 0.4862 3.5847 3.5847 4.2381 4.2381 6.1443 6.1443 6.2850 6.2850 6.5952 6.5952 7.1324 7.1324 9.2539 9.2539 10.7336 10.7336 11.1319 11.1319 11.4968 11.4968 k = 0.5000 0.2887 0.0839 ( 3620 PWs) bands (ev): -19.3639 -19.3639 -6.1753 -6.1753 -4.4323 -4.4323 -4.0794 -4.0794 -2.3941 -2.3941 -2.0697 -2.0697 -0.6986 -0.6986 -0.6797 -0.6797 -0.5248 -0.5248 -0.3678 -0.3678 -0.0408 -0.0408 -0.0169 -0.0169 0.0520 0.0520 0.1451 0.1451 0.4116 0.4116 0.4855 0.4855 3.5690 3.5690 4.2646 4.2646 6.1685 6.1685 6.3155 6.3155 6.5342 6.5342 7.0903 7.0903 9.2408 9.2408 10.7758 10.7758 11.1596 11.1596 11.6048 11.6048 k = 0.5000 0.2887 0.0699 ( 3616 PWs) bands (ev): -19.3639 -19.3639 -6.1754 -6.1754 -4.4329 -4.4329 -4.0794 -4.0794 -2.3915 -2.3915 -2.0696 -2.0696 -0.6994 -0.6994 -0.6795 -0.6795 -0.5231 -0.5231 -0.3699 -0.3699 -0.0418 -0.0418 -0.0165 -0.0165 0.0531 0.0531 0.1441 0.1441 0.4105 0.4105 0.4850 0.4850 3.5553 3.5553 4.2889 4.2889 6.1904 6.1904 6.3453 6.3453 6.4798 6.4798 7.0503 7.0503 9.2291 9.2291 10.8181 10.8181 11.1611 11.1611 11.7376 11.7376 k = 0.5000 0.2887 0.0559 ( 3612 PWs) bands (ev): -19.3639 -19.3639 -6.1754 -6.1754 -4.4334 -4.4334 -4.0793 -4.0793 -2.3893 -2.3893 -2.0695 -2.0695 -0.7001 -0.7001 -0.6793 -0.6793 -0.5216 -0.5216 -0.3717 -0.3717 -0.0426 -0.0426 -0.0162 -0.0162 0.0541 0.0541 0.1433 0.1433 0.4095 0.4095 0.4845 0.4845 3.5439 3.5439 4.3102 4.3102 6.2098 6.2098 6.3726 6.3726 6.4336 6.4336 7.0137 7.0137 9.2191 9.2191 10.8602 10.8602 11.1475 11.1475 11.8827 11.8827 k = 0.5000 0.2887 0.0419 ( 3616 PWs) bands (ev): -19.3639 -19.3639 -6.1755 -6.1755 -4.4338 -4.4338 -4.0793 -4.0793 -2.3875 -2.3875 -2.0695 -2.0695 -0.7006 -0.7006 -0.6792 -0.6792 -0.5204 -0.5204 -0.3732 -0.3732 -0.0433 -0.0433 -0.0159 -0.0159 0.0548 0.0548 0.1427 0.1427 0.4087 0.4087 0.4842 0.4842 3.5348 3.5348 4.3276 4.3276 6.2264 6.2264 6.3849 6.3849 6.4073 6.4073 6.9820 6.9820 9.2111 9.2111 10.9020 10.9020 11.1247 11.1247 12.0313 12.0313 k = 0.5000 0.2887 0.0280 ( 3608 PWs) bands (ev): -19.3639 -19.3639 -6.1755 -6.1755 -4.4341 -4.4341 -4.0793 -4.0793 -2.3862 -2.3862 -2.0694 -2.0694 -0.7011 -0.7011 -0.6791 -0.6791 -0.5195 -0.5195 -0.3743 -0.3743 -0.0438 -0.0438 -0.0157 -0.0157 0.0554 0.0554 0.1422 0.1422 0.4081 0.4081 0.4839 0.4839 3.5283 3.5283 4.3407 4.3407 6.2401 6.2401 6.3604 6.3604 6.4218 6.4218 6.9570 6.9570 9.2053 9.2053 10.9430 10.9430 11.0960 11.0960 12.1743 12.1743 k = 0.5000 0.2887 0.0140 ( 3606 PWs) bands (ev): -19.3639 -19.3639 -6.1756 -6.1756 -4.4343 -4.4343 -4.0793 -4.0793 -2.3854 -2.3854 -2.0693 -2.0693 -0.7013 -0.7013 -0.6790 -0.6790 -0.5189 -0.5189 -0.3750 -0.3750 -0.0441 -0.0441 -0.0155 -0.0155 0.0558 0.0558 0.1419 0.1419 0.4078 0.4078 0.4838 0.4838 3.5243 3.5243 4.3488 4.3488 6.2499 6.2499 6.3410 6.3410 6.4344 6.4344 6.9410 6.9410 9.2018 9.2018 10.9819 10.9819 11.0640 11.0640 12.2930 12.2930 k = 0.5000 0.2887-0.0000 ( 3614 PWs) bands (ev): -19.3639 -19.3639 -6.1756 -6.1756 -4.4343 -4.4343 -4.0793 -4.0793 -2.3851 -2.3851 -2.0693 -2.0693 -0.7014 -0.7014 -0.6790 -0.6790 -0.5187 -0.5187 -0.3752 -0.3752 -0.0442 -0.0442 -0.0155 -0.0155 0.0559 0.0559 0.1418 0.1418 0.4076 0.4076 0.4838 0.4838 3.5229 3.5229 4.3515 4.3515 6.2538 6.2538 6.3338 6.3338 6.4389 6.4389 6.9354 6.9354 9.2006 9.2006 11.0081 11.0081 11.0400 11.0400 12.3446 12.3446 k = 0.3333 0.5774-0.0000 ( 3594 PWs) bands (ev): -19.3602 -19.3602 -6.1783 -6.1783 -4.3825 -4.3825 -4.2065 -4.2065 -2.2533 -2.2533 -2.1307 -2.1307 -0.7150 -0.7150 -0.6471 -0.6471 -0.5858 -0.5858 -0.2942 -0.2942 -0.0213 -0.0213 0.0229 0.0229 0.0532 0.0532 0.0934 0.0934 0.4518 0.4518 0.6148 0.6148 3.8852 3.8852 3.9410 3.9410 4.8801 4.8801 6.5255 6.5255 6.5934 6.5934 6.8629 6.8629 10.8713 10.8713 10.9157 10.9157 11.5639 11.5639 11.6055 11.6055 k = 0.3333 0.5774 0.0140 ( 3597 PWs) bands (ev): -19.3602 -19.3602 -6.1783 -6.1783 -4.3824 -4.3824 -4.2065 -4.2065 -2.2534 -2.2534 -2.1309 -2.1309 -0.7149 -0.7149 -0.6471 -0.6471 -0.5857 -0.5857 -0.2942 -0.2942 -0.0213 -0.0213 0.0229 0.0229 0.0532 0.0532 0.0934 0.0934 0.4517 0.4517 0.6148 0.6148 3.8859 3.8859 3.9414 3.9414 4.8820 4.8820 6.5256 6.5256 6.5931 6.5931 6.8596 6.8596 10.8664 10.8664 10.9101 10.9101 11.5672 11.5672 11.6119 11.6119 k = 0.3333 0.5774 0.0280 ( 3603 PWs) bands (ev): -19.3602 -19.3602 -6.1783 -6.1783 -4.3823 -4.3823 -4.2064 -4.2064 -2.2537 -2.2537 -2.1313 -2.1313 -0.7147 -0.7147 -0.6471 -0.6471 -0.5856 -0.5856 -0.2943 -0.2943 -0.0212 -0.0212 0.0229 0.0229 0.0533 0.0533 0.0933 0.0933 0.4512 0.4512 0.6146 0.6146 3.8879 3.8879 3.9427 3.9427 4.8875 4.8875 6.5259 6.5259 6.5920 6.5920 6.8496 6.8496 10.8524 10.8524 10.8939 10.8939 11.5768 11.5768 11.6305 11.6305 k = 0.3333 0.5774 0.0419 ( 3621 PWs) bands (ev): -19.3602 -19.3602 -6.1783 -6.1783 -4.3820 -4.3820 -4.2063 -4.2063 -2.2542 -2.2542 -2.1321 -2.1321 -0.7144 -0.7144 -0.6471 -0.6471 -0.5855 -0.5855 -0.2944 -0.2944 -0.0212 -0.0212 0.0228 0.0228 0.0534 0.0534 0.0932 0.0932 0.4505 0.4505 0.6142 0.6142 3.8911 3.8911 3.9447 3.9447 4.8968 4.8968 6.5264 6.5264 6.5902 6.5902 6.8332 6.8332 10.8306 10.8306 10.8689 10.8689 11.5923 11.5923 11.6596 11.6596 k = 0.3333 0.5774 0.0559 ( 3621 PWs) bands (ev): -19.3602 -19.3602 -6.1782 -6.1782 -4.3817 -4.3817 -4.2062 -4.2062 -2.2549 -2.2549 -2.1331 -2.1331 -0.7139 -0.7139 -0.6471 -0.6471 -0.5853 -0.5853 -0.2946 -0.2946 -0.0210 -0.0210 0.0227 0.0227 0.0535 0.0535 0.0930 0.0930 0.4495 0.4495 0.6137 0.6137 3.8956 3.8956 3.9476 3.9476 4.9096 4.9096 6.5270 6.5270 6.5877 6.5877 6.8106 6.8106 10.8030 10.8030 10.8371 10.8371 11.6131 11.6131 11.6974 11.6974 k = 0.3333 0.5774 0.0699 ( 3624 PWs) bands (ev): -19.3602 -19.3602 -6.1782 -6.1782 -4.3813 -4.3813 -4.2060 -4.2060 -2.2557 -2.2557 -2.1344 -2.1344 -0.7133 -0.7133 -0.6470 -0.6470 -0.5850 -0.5850 -0.2949 -0.2949 -0.0209 -0.0209 0.0226 0.0226 0.0537 0.0537 0.0928 0.0928 0.4482 0.4482 0.6132 0.6132 3.9012 3.9012 3.9511 3.9511 4.9260 4.9260 6.5278 6.5278 6.5845 6.5845 6.7823 6.7823 10.7715 10.7715 10.8007 10.8007 11.6387 11.6387 11.7417 11.7417 k = 0.3333 0.5774 0.0839 ( 3624 PWs) bands (ev): -19.3602 -19.3602 -6.1781 -6.1781 -4.3808 -4.3808 -4.2058 -4.2058 -2.2567 -2.2567 -2.1360 -2.1360 -0.7126 -0.7126 -0.6470 -0.6470 -0.5847 -0.5847 -0.2952 -0.2952 -0.0207 -0.0207 0.0224 0.0224 0.0539 0.0539 0.0925 0.0925 0.4467 0.4467 0.6125 0.6125 3.9077 3.9077 3.9552 3.9552 4.9459 4.9459 6.5286 6.5286 6.5809 6.5809 6.7488 6.7488 10.7376 10.7376 10.7614 10.7614 11.6685 11.6685 11.7905 11.7905 k = 0.3333 0.5774 0.0978 ( 3633 PWs) bands (ev): -19.3602 -19.3602 -6.1780 -6.1780 -4.3803 -4.3803 -4.2056 -4.2056 -2.2578 -2.2578 -2.1377 -2.1377 -0.7118 -0.7118 -0.6470 -0.6470 -0.5844 -0.5844 -0.2956 -0.2956 -0.0204 -0.0204 0.0222 0.0222 0.0541 0.0541 0.0922 0.0922 0.4450 0.4450 0.6117 0.6117 3.9152 3.9152 3.9599 3.9599 4.9690 4.9690 6.5292 6.5292 6.5767 6.5767 6.7107 6.7107 10.7027 10.7027 10.7206 10.7206 11.7020 11.7020 11.8422 11.8422 k = 0.3333 0.5774 0.1118 ( 3633 PWs) bands (ev): -19.3602 -19.3602 -6.1779 -6.1779 -4.3797 -4.3797 -4.2053 -4.2053 -2.2590 -2.2590 -2.1396 -2.1396 -0.7109 -0.7109 -0.6470 -0.6470 -0.5840 -0.5840 -0.2960 -0.2960 -0.0202 -0.0202 0.0220 0.0220 0.0543 0.0543 0.0919 0.0919 0.4432 0.4432 0.6109 0.6109 3.9233 3.9233 3.9650 3.9650 4.9952 4.9952 6.5294 6.5294 6.5720 6.5720 6.6688 6.6688 10.6677 10.6677 10.6796 10.6796 11.7384 11.7384 11.8953 11.8953 k = 0.3333 0.5774 0.1258 ( 3633 PWs) bands (ev): -19.3602 -19.3602 -6.1778 -6.1778 -4.3791 -4.3791 -4.2051 -4.2051 -2.2602 -2.2602 -2.1416 -2.1416 -0.7100 -0.7100 -0.6470 -0.6470 -0.5837 -0.5837 -0.2964 -0.2964 -0.0199 -0.0199 0.0217 0.0217 0.0546 0.0546 0.0916 0.0916 0.4413 0.4413 0.6100 0.6100 3.9320 3.9320 3.9704 3.9704 5.0244 5.0244 6.5282 6.5282 6.5671 6.5671 6.6249 6.6249 10.6335 10.6335 10.6391 10.6391 11.7770 11.7770 11.9485 11.9485 k = 0.3333 0.5774 0.1398 ( 3636 PWs) bands (ev): -19.3602 -19.3602 -6.1777 -6.1777 -4.3784 -4.3784 -4.2048 -4.2048 -2.2616 -2.2616 -2.1436 -2.1436 -0.7090 -0.7090 -0.6470 -0.6470 -0.5833 -0.5833 -0.2969 -0.2969 -0.0196 -0.0196 0.0215 0.0215 0.0549 0.0549 0.0913 0.0913 0.4393 0.4393 0.6091 0.6091 3.9410 3.9410 3.9760 3.9760 5.0562 5.0562 6.5216 6.5216 6.5619 6.5619 6.5834 6.5834 10.5999 10.5999 10.6005 10.6005 11.8172 11.8172 12.0006 12.0006 k = 0.3333 0.5774 0.1537 ( 3636 PWs) bands (ev): -19.3602 -19.3602 -6.1776 -6.1776 -4.3778 -4.3778 -4.2046 -4.2046 -2.2629 -2.2629 -2.1457 -2.1457 -0.7080 -0.7080 -0.6470 -0.6470 -0.5829 -0.5829 -0.2974 -0.2974 -0.0193 -0.0193 0.0212 0.0212 0.0551 0.0551 0.0910 0.0910 0.4373 0.4373 0.6082 0.6082 3.9502 3.9502 3.9817 3.9817 5.0903 5.0903 6.4969 6.4969 6.5567 6.5567 6.5579 6.5579 10.5624 10.5624 10.5694 10.5694 11.8582 11.8582 12.0504 12.0504 k = 0.3333 0.5774 0.1677 ( 3618 PWs) bands (ev): -19.3602 -19.3602 -6.1775 -6.1775 -4.3771 -4.3771 -4.2043 -4.2043 -2.2642 -2.2642 -2.1477 -2.1477 -0.7070 -0.7070 -0.6470 -0.6470 -0.5825 -0.5825 -0.2978 -0.2978 -0.0189 -0.0189 0.0209 0.0209 0.0554 0.0554 0.0907 0.0907 0.4353 0.4353 0.6073 0.6073 3.9593 3.9593 3.9872 3.9872 5.1264 5.1264 6.4524 6.4524 6.5507 6.5507 6.5514 6.5514 10.5274 10.5274 10.5404 10.5404 11.8993 11.8993 12.0970 12.0970 k = 0.3333 0.5774 0.1817 ( 3612 PWs) bands (ev): -19.3602 -19.3602 -6.1775 -6.1775 -4.3765 -4.3765 -4.2040 -4.2040 -2.2655 -2.2655 -2.1497 -2.1497 -0.7061 -0.7061 -0.6470 -0.6470 -0.5821 -0.5821 -0.2983 -0.2983 -0.0186 -0.0186 0.0206 0.0206 0.0556 0.0556 0.0904 0.0904 0.4334 0.4334 0.6064 0.6064 3.9682 3.9682 3.9926 3.9926 5.1639 5.1639 6.4015 6.4015 6.5463 6.5463 6.5494 6.5494 10.4949 10.4949 10.5138 10.5138 11.9397 11.9397 12.1394 12.1394 k = 0.3333 0.5774 0.1957 ( 3624 PWs) bands (ev): -19.3602 -19.3602 -6.1774 -6.1774 -4.3759 -4.3759 -4.2038 -4.2038 -2.2666 -2.2666 -2.1516 -2.1516 -0.7052 -0.7052 -0.6470 -0.6470 -0.5818 -0.5818 -0.2987 -0.2987 -0.0183 -0.0183 0.0203 0.0203 0.0559 0.0559 0.0901 0.0901 0.4315 0.4315 0.6056 0.6056 3.9766 3.9766 3.9977 3.9977 5.2022 5.2022 6.3492 6.3492 6.5414 6.5414 6.5496 6.5496 10.4656 10.4656 10.4900 10.4900 11.9785 11.9785 12.1769 12.1769 k = 0.3333 0.5774 0.2097 ( 3642 PWs) bands (ev): -19.3602 -19.3602 -6.1773 -6.1773 -4.3753 -4.3753 -4.2036 -4.2036 -2.2677 -2.2677 -2.1533 -2.1533 -0.7043 -0.7043 -0.6470 -0.6470 -0.5815 -0.5815 -0.2991 -0.2991 -0.0180 -0.0180 0.0200 0.0200 0.0561 0.0561 0.0899 0.0899 0.4299 0.4299 0.6048 0.6048 3.9843 3.9843 4.0024 4.0024 5.2404 5.2404 6.2978 6.2978 6.5368 6.5368 6.5504 6.5504 10.4395 10.4395 10.4690 10.4690 12.0151 12.0151 12.2090 12.2090 k = 0.3333 0.5774 0.2236 ( 3639 PWs) bands (ev): -19.3602 -19.3602 -6.1772 -6.1772 -4.3748 -4.3748 -4.2034 -4.2034 -2.2687 -2.2687 -2.1548 -2.1548 -0.7036 -0.7036 -0.6470 -0.6470 -0.5812 -0.5812 -0.2995 -0.2995 -0.0177 -0.0177 0.0198 0.0198 0.0563 0.0563 0.0897 0.0897 0.4284 0.4284 0.6042 0.6042 3.9912 3.9912 4.0065 4.0065 5.2775 5.2775 6.2490 6.2490 6.5328 6.5328 6.5513 6.5513 10.4171 10.4171 10.4509 10.4509 12.0485 12.0485 12.2355 12.2355 k = 0.3333 0.5774 0.2376 ( 3639 PWs) bands (ev): -19.3602 -19.3602 -6.1772 -6.1772 -4.3744 -4.3744 -4.2032 -4.2032 -2.2695 -2.2695 -2.1561 -2.1561 -0.7029 -0.7029 -0.6470 -0.6470 -0.5809 -0.5809 -0.2998 -0.2998 -0.0175 -0.0175 0.0196 0.0196 0.0565 0.0565 0.0895 0.0895 0.4272 0.4272 0.6036 0.6036 3.9970 3.9970 4.0100 4.0100 5.3121 5.3121 6.2045 6.2045 6.5293 6.5293 6.5522 6.5522 10.3984 10.3984 10.4361 10.4361 12.0778 12.0778 12.2565 12.2565 k = 0.3333 0.5774 0.2516 ( 3639 PWs) bands (ev): -19.3602 -19.3602 -6.1771 -6.1771 -4.3741 -4.3741 -4.2031 -4.2031 -2.2702 -2.2702 -2.1572 -2.1572 -0.7024 -0.7024 -0.6470 -0.6470 -0.5807 -0.5807 -0.3001 -0.3001 -0.0172 -0.0172 0.0194 0.0194 0.0566 0.0566 0.0893 0.0893 0.4262 0.4262 0.6031 0.6031 4.0018 4.0018 4.0129 4.0129 5.3424 5.3424 6.1662 6.1662 6.5265 6.5265 6.5530 6.5530 10.3837 10.3837 10.4244 10.4244 12.1020 12.1020 12.2722 12.2722 k = 0.3333 0.5774 0.2656 ( 3639 PWs) bands (ev): -19.3602 -19.3602 -6.1771 -6.1771 -4.3739 -4.3739 -4.2030 -4.2030 -2.2707 -2.2707 -2.1579 -2.1579 -0.7021 -0.7021 -0.6470 -0.6470 -0.5806 -0.5806 -0.3003 -0.3003 -0.0171 -0.0171 0.0192 0.0192 0.0567 0.0567 0.0892 0.0892 0.4254 0.4254 0.6028 0.6028 4.0052 4.0052 4.0149 4.0149 5.3663 5.3663 6.1364 6.1364 6.5244 6.5244 6.5536 6.5536 10.3731 10.3731 10.4160 10.4160 12.1202 12.1202 12.2830 12.2830 k = 0.3333 0.5774 0.2795 ( 3639 PWs) bands (ev): -19.3602 -19.3602 -6.1771 -6.1771 -4.3737 -4.3737 -4.2029 -4.2029 -2.2710 -2.2710 -2.1584 -2.1584 -0.7018 -0.7018 -0.6470 -0.6470 -0.5805 -0.5805 -0.3004 -0.3004 -0.0170 -0.0170 0.0192 0.0192 0.0568 0.0568 0.0892 0.0892 0.4250 0.4250 0.6026 0.6026 4.0073 4.0073 4.0162 4.0162 5.3818 5.3818 6.1174 6.1174 6.5232 6.5232 6.5540 6.5540 10.3667 10.3667 10.4110 10.4110 12.1316 12.1316 12.2893 12.2893 k = 0.3333 0.5774 0.2935 ( 3636 PWs) bands (ev): -19.3602 -19.3602 -6.1770 -6.1770 -4.3737 -4.3737 -4.2029 -4.2029 -2.2711 -2.2711 -2.1585 -2.1585 -0.7017 -0.7017 -0.6470 -0.6470 -0.5805 -0.5805 -0.3004 -0.3004 -0.0170 -0.0170 0.0191 0.0191 0.0568 0.0568 0.0892 0.0892 0.4248 0.4248 0.6026 0.6026 4.0080 4.0080 4.0166 4.0166 5.3872 5.3872 6.1108 6.1108 6.5228 6.5228 6.5541 6.5541 10.3645 10.3645 10.4093 10.4093 12.1355 12.1355 12.2914 12.2914 Writing output data file BaxCdAsx2.save init_run : 0.71s CPU 0.93s WALL ( 1 calls) electrons : 175.08s CPU 177.84s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.05s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 175.07s CPU 177.83s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.19s CPU 0.30s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.04s WALL ( 296 calls) cegterg : 164.74s CPU 167.08s WALL ( 640 calls) Called by sum_band: Called by *egterg: h_psi : 83.08s CPU 84.43s WALL ( 10496 calls) s_psi : 5.71s CPU 5.64s WALL ( 10496 calls) g_psi : 0.23s CPU 0.24s WALL ( 9560 calls) cdiaghg : 65.76s CPU 66.94s WALL ( 9856 calls) cegterg:over : 6.13s CPU 6.18s WALL ( 9560 calls) cegterg:upda : 5.76s CPU 5.86s WALL ( 9560 calls) cegterg:last : 2.90s CPU 2.92s WALL ( 1507 calls) cdiaghg:chol : 3.74s CPU 3.78s WALL ( 9856 calls) cdiaghg:inve : 2.37s CPU 2.43s WALL ( 9856 calls) cdiaghg:para : 3.78s CPU 4.04s WALL ( 19712 calls) Called by h_psi: h_psi:vloc : 70.55s CPU 71.87s WALL ( 10496 calls) h_psi:vnl : 12.26s CPU 12.31s WALL ( 10496 calls) add_vuspsi : 6.16s CPU 6.13s WALL ( 10496 calls) General routines calbec : 6.06s CPU 6.16s WALL ( 10496 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 59.20s CPU 60.44s WALL ( 889240 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.16s WALL ( 592 calls) Parallel routines fft_scatter : 23.20s CPU 24.03s WALL ( 889263 calls) PWSCF : 3m10.04s CPU 3m21.93s WALL This run was terminated on: 19:45: 1 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=