Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:23:35 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: ./HfBe5.save/ file Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 122 45 13 5024 1131 177 Max 123 46 14 5029 1150 180 Sum 4417 1639 475 180949 41047 6387 bravais-lattice index = 14 lattice parameter (alat) = 8.5680 a.u. unit-cell volume = 417.0084 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 81.0000 Ry charge density cutoff = 871.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.568018 celldm(2)= 1.000000 celldm(3)= 0.765549 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 0.765549 ) 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 1.306252 ) PseudoPot. # 1 for Hf read from file: /users/gautes/Pseudo/Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: fb4a78a955dff820df95c575f14a6778 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 1271 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Be read from file: /users/gautes/Pseudo/Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 56f92c253d4d86db330921f37562b9e7 Pseudo is Ultrasoft, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1041 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Hf 12.00 178.49000 Hf( 1.00) Be 4.00 9.01220 Be( 1.00) 24 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 [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -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 = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) ( -1 0 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 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) ( 1 1 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 = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) ( -1 0 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 = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) ( 0 -1 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 = 11 180 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 = 12 180 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 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(21) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 23 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(23) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(23) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 24 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(24) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(24) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_6h(6/mmm) there are 18 classes and 6 irreducible representations the character table: E -E 2C6 -2C6 2C3 -2C3 C2 3C2' 3C2'' i -i 2S3 -C2 -3C2' -3C2' G_7+ 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 1.73 G_8+ 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 -1.73 G_9+ 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 2.00 -2.00 0.00 G_7- 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 -1.73 G_8- 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 1.73 G_9- 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 -2.00 2.00 0.00 -2S3 2S6 -2S6 s_h 3s_v 3s_d -s_h -3s_v -3s_d G_7+ -1.73 1.00 -1.00 0.00 0.00 0.00 G_8+ 1.73 1.00 -1.00 0.00 0.00 0.00 G_9+ 0.00 -2.00 2.00 0.00 0.00 0.00 G_7- 1.73 -1.00 1.00 0.00 0.00 0.00 G_8- -1.73 -1.00 1.00 0.00 0.00 0.00 G_9- 0.00 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C6 5 6 60 deg rotation - cryst. axis [0,0,1] -2C6 -5 -6 60 deg rotation - cryst. axis [0,0,1] E 2C3 7 8 120 deg rotation - cryst. axis [0,0,1] -2C3 -7 -8 120 deg rotation - cryst. axis [0,0,1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 3C2'-3C2' 4 -4 12 -11 11 -12 180 deg rotation - cart. axis [1,0,0] 3C2''-3C2' 3 -3 9 10 -10 -9 180 deg rotation - cart. axis [0,1,0] i 13 inversion -i -13 inversion E 2S3 17 18 inv. 60 deg rotation - cryst. axis [0,0,1] -2S3 -17 -18 inv. 60 deg rotation - cryst. axis [0,0,1] E 2S6 19 20 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -19 -20 inv. 120 deg rotation - cryst. axis [0,0,1] E s_h -s_h 14 -14 inv. 180 deg rotation - cart. axis [0,0,1] 3s_v-3s_v 16 -16 24 -23 23 -24 inv. 180 deg rotation - cart. axis [1,0,0] 3s_d-3s_d 15 -15 21 22 -22 -21 inv. 180 deg rotation - cart. axis [0,1,0] Cartesian axes number of k points= 371 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026954 k( 2) = ( 0.0121951 0.0070409 -0.0000000), wk = 0.0026954 k( 3) = ( 0.0243902 0.0140817 -0.0000000), wk = 0.0026954 k( 4) = ( 0.0365854 0.0211226 -0.0000000), wk = 0.0026954 k( 5) = ( 0.0487805 0.0281634 -0.0000000), wk = 0.0026954 k( 6) = ( 0.0609756 0.0352043 -0.0000000), wk = 0.0026954 k( 7) = ( 0.0731707 0.0422451 -0.0000000), wk = 0.0026954 k( 8) = ( 0.0853658 0.0492860 -0.0000000), wk = 0.0026954 k( 9) = ( 0.0975610 0.0563269 -0.0000000), wk = 0.0026954 k( 10) = ( 0.1097561 0.0633677 -0.0000000), wk = 0.0026954 k( 11) = ( 0.1219512 0.0704086 -0.0000000), wk = 0.0026954 k( 12) = ( 0.1341463 0.0774494 -0.0000000), wk = 0.0026954 k( 13) = ( 0.1463415 0.0844903 -0.0000000), wk = 0.0026954 k( 14) = ( 0.1585366 0.0915311 -0.0000000), wk = 0.0026954 k( 15) = ( 0.1707317 0.0985720 -0.0000000), wk = 0.0026954 k( 16) = ( 0.1829268 0.1056129 -0.0000000), wk = 0.0026954 k( 17) = ( 0.1951219 0.1126537 -0.0000000), wk = 0.0026954 k( 18) = ( 0.2073171 0.1196946 -0.0000000), wk = 0.0026954 k( 19) = ( 0.2195122 0.1267354 -0.0000000), wk = 0.0026954 k( 20) = ( 0.2317073 0.1337763 -0.0000000), wk = 0.0026954 k( 21) = ( 0.2439024 0.1408171 -0.0000000), wk = 0.0026954 k( 22) = ( 0.2560976 0.1478580 -0.0000000), wk = 0.0026954 k( 23) = ( 0.2682927 0.1548989 -0.0000000), wk = 0.0026954 k( 24) = ( 0.2804878 0.1619397 -0.0000000), wk = 0.0026954 k( 25) = ( 0.2926829 0.1689806 -0.0000000), wk = 0.0026954 k( 26) = ( 0.3048781 0.1760214 -0.0000000), wk = 0.0026954 k( 27) = ( 0.3170732 0.1830623 -0.0000000), wk = 0.0026954 k( 28) = ( 0.3292683 0.1901031 -0.0000000), wk = 0.0026954 k( 29) = ( 0.3414634 0.1971440 -0.0000000), wk = 0.0026954 k( 30) = ( 0.3536585 0.2041849 -0.0000000), wk = 0.0026954 k( 31) = ( 0.3658537 0.2112257 -0.0000000), wk = 0.0026954 k( 32) = ( 0.3780488 0.2182666 -0.0000000), wk = 0.0026954 k( 33) = ( 0.3902439 0.2253074 -0.0000000), wk = 0.0026954 k( 34) = ( 0.4024390 0.2323483 -0.0000000), wk = 0.0026954 k( 35) = ( 0.4146341 0.2393891 -0.0000000), wk = 0.0026954 k( 36) = ( 0.4268293 0.2464300 -0.0000000), wk = 0.0026954 k( 37) = ( 0.4390244 0.2534708 -0.0000000), wk = 0.0026954 k( 38) = ( 0.4512195 0.2605117 -0.0000000), wk = 0.0026954 k( 39) = ( 0.4634146 0.2675526 -0.0000000), wk = 0.0026954 k( 40) = ( 0.4756098 0.2745934 -0.0000000), wk = 0.0026954 k( 41) = ( 0.4878049 0.2816343 -0.0000000), wk = 0.0026954 k( 42) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0026954 k( 43) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0026954 k( 44) = ( 0.4930556 0.3007033 -0.0000000), wk = 0.0026954 k( 45) = ( 0.4861111 0.3127314 -0.0000000), wk = 0.0026954 k( 46) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0026954 k( 47) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0026954 k( 48) = ( 0.4652778 0.3488158 -0.0000000), wk = 0.0026954 k( 49) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0026954 k( 50) = ( 0.4513889 0.3728720 -0.0000000), wk = 0.0026954 k( 51) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0026954 k( 52) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0026954 k( 53) = ( 0.4305556 0.4089564 -0.0000000), wk = 0.0026954 k( 54) = ( 0.4236111 0.4209846 -0.0000000), wk = 0.0026954 k( 55) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0026954 k( 56) = ( 0.4097222 0.4450408 -0.0000000), wk = 0.0026954 k( 57) = ( 0.4027778 0.4570690 -0.0000000), wk = 0.0026954 k( 58) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0026954 k( 59) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0026954 k( 60) = ( 0.3819444 0.4931534 -0.0000000), wk = 0.0026954 k( 61) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0026954 k( 62) = ( 0.3680556 0.5172096 -0.0000000), wk = 0.0026954 k( 63) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0026954 k( 64) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0026954 k( 65) = ( 0.3472222 0.5532940 -0.0000000), wk = 0.0026954 k( 66) = ( 0.3402778 0.5653221 -0.0000000), wk = 0.0026954 k( 67) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0026954 k( 68) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0026954 k( 69) = ( 0.3262411 0.5650662 -0.0000000), wk = 0.0026954 k( 70) = ( 0.3191489 0.5527822 -0.0000000), wk = 0.0026954 k( 71) = ( 0.3120567 0.5404981 -0.0000000), wk = 0.0026954 k( 72) = ( 0.3049645 0.5282141 -0.0000000), wk = 0.0026954 k( 73) = ( 0.2978723 0.5159300 -0.0000000), wk = 0.0026954 k( 74) = ( 0.2907801 0.5036460 -0.0000000), wk = 0.0026954 k( 75) = ( 0.2836879 0.4913619 -0.0000000), wk = 0.0026954 k( 76) = ( 0.2765957 0.4790779 -0.0000000), wk = 0.0026954 k( 77) = ( 0.2695035 0.4667938 -0.0000000), wk = 0.0026954 k( 78) = ( 0.2624113 0.4545098 -0.0000000), wk = 0.0026954 k( 79) = ( 0.2553191 0.4422257 -0.0000000), wk = 0.0026954 k( 80) = ( 0.2482270 0.4299417 -0.0000000), wk = 0.0026954 k( 81) = ( 0.2411348 0.4176576 -0.0000000), wk = 0.0026954 k( 82) = ( 0.2340425 0.4053736 -0.0000000), wk = 0.0026954 k( 83) = ( 0.2269503 0.3930895 -0.0000000), wk = 0.0026954 k( 84) = ( 0.2198582 0.3808055 -0.0000000), wk = 0.0026954 k( 85) = ( 0.2127660 0.3685215 -0.0000000), wk = 0.0026954 k( 86) = ( 0.2056738 0.3562374 -0.0000000), wk = 0.0026954 k( 87) = ( 0.1985816 0.3439534 -0.0000000), wk = 0.0026954 k( 88) = ( 0.1914894 0.3316693 -0.0000000), wk = 0.0026954 k( 89) = ( 0.1843972 0.3193852 -0.0000000), wk = 0.0026954 k( 90) = ( 0.1773050 0.3071012 -0.0000000), wk = 0.0026954 k( 91) = ( 0.1702128 0.2948172 -0.0000000), wk = 0.0026954 k( 92) = ( 0.1631206 0.2825331 -0.0000000), wk = 0.0026954 k( 93) = ( 0.1560284 0.2702491 -0.0000000), wk = 0.0026954 k( 94) = ( 0.1489362 0.2579650 -0.0000000), wk = 0.0026954 k( 95) = ( 0.1418440 0.2456810 -0.0000000), wk = 0.0026954 k( 96) = ( 0.1347518 0.2333969 -0.0000000), wk = 0.0026954 k( 97) = ( 0.1276596 0.2211129 -0.0000000), wk = 0.0026954 k( 98) = ( 0.1205674 0.2088288 -0.0000000), wk = 0.0026954 k( 99) = ( 0.1134752 0.1965448 -0.0000000), wk = 0.0026954 k( 100) = ( 0.1063830 0.1842607 -0.0000000), wk = 0.0026954 k( 101) = ( 0.0992908 0.1719767 -0.0000000), wk = 0.0026954 k( 102) = ( 0.0921986 0.1596926 -0.0000000), wk = 0.0026954 k( 103) = ( 0.0851064 0.1474086 -0.0000000), wk = 0.0026954 k( 104) = ( 0.0780142 0.1351245 -0.0000000), wk = 0.0026954 k( 105) = ( 0.0709220 0.1228405 -0.0000000), wk = 0.0026954 k( 106) = ( 0.0638298 0.1105564 -0.0000000), wk = 0.0026954 k( 107) = ( 0.0567376 0.0982724 -0.0000000), wk = 0.0026954 k( 108) = ( 0.0496454 0.0859883 -0.0000000), wk = 0.0026954 k( 109) = ( 0.0425532 0.0737043 -0.0000000), wk = 0.0026954 k( 110) = ( 0.0354610 0.0614202 -0.0000000), wk = 0.0026954 k( 111) = ( 0.0283688 0.0491362 -0.0000000), wk = 0.0026954 k( 112) = ( 0.0212766 0.0368522 -0.0000000), wk = 0.0026954 k( 113) = ( 0.0141844 0.0245681 -0.0000000), wk = 0.0026954 k( 114) = ( 0.0070922 0.0122841 -0.0000000), wk = 0.0026954 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026954 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026954 k( 117) = ( 0.0000000 0.0000000 0.0141984), wk = 0.0026954 k( 118) = ( 0.0000000 0.0000000 0.0283968), wk = 0.0026954 k( 119) = ( 0.0000000 0.0000000 0.0425952), wk = 0.0026954 k( 120) = ( 0.0000000 0.0000000 0.0567936), wk = 0.0026954 k( 121) = ( 0.0000000 0.0000000 0.0709920), wk = 0.0026954 k( 122) = ( 0.0000000 0.0000000 0.0851903), wk = 0.0026954 k( 123) = ( 0.0000000 0.0000000 0.0993887), wk = 0.0026954 k( 124) = ( 0.0000000 0.0000000 0.1135871), wk = 0.0026954 k( 125) = ( 0.0000000 0.0000000 0.1277855), wk = 0.0026954 k( 126) = ( 0.0000000 0.0000000 0.1419839), wk = 0.0026954 k( 127) = ( 0.0000000 0.0000000 0.1561823), wk = 0.0026954 k( 128) = ( 0.0000000 0.0000000 0.1703807), wk = 0.0026954 k( 129) = ( 0.0000000 0.0000000 0.1845791), wk = 0.0026954 k( 130) = ( 0.0000000 0.0000000 0.1987774), wk = 0.0026954 k( 131) = ( 0.0000000 0.0000000 0.2129758), wk = 0.0026954 k( 132) = ( 0.0000000 0.0000000 0.2271742), wk = 0.0026954 k( 133) = ( 0.0000000 0.0000000 0.2413726), wk = 0.0026954 k( 134) = ( 0.0000000 0.0000000 0.2555710), wk = 0.0026954 k( 135) = ( 0.0000000 0.0000000 0.2697694), wk = 0.0026954 k( 136) = ( 0.0000000 0.0000000 0.2839678), wk = 0.0026954 k( 137) = ( 0.0000000 0.0000000 0.2981662), wk = 0.0026954 k( 138) = ( 0.0000000 0.0000000 0.3123646), wk = 0.0026954 k( 139) = ( 0.0000000 0.0000000 0.3265630), wk = 0.0026954 k( 140) = ( 0.0000000 0.0000000 0.3407613), wk = 0.0026954 k( 141) = ( 0.0000000 0.0000000 0.3549597), wk = 0.0026954 k( 142) = ( 0.0000000 0.0000000 0.3691581), wk = 0.0026954 k( 143) = ( 0.0000000 0.0000000 0.3833565), wk = 0.0026954 k( 144) = ( 0.0000000 0.0000000 0.3975549), wk = 0.0026954 k( 145) = ( 0.0000000 0.0000000 0.4117533), wk = 0.0026954 k( 146) = ( 0.0000000 0.0000000 0.4259517), wk = 0.0026954 k( 147) = ( 0.0000000 0.0000000 0.4401501), wk = 0.0026954 k( 148) = ( 0.0000000 0.0000000 0.4543485), wk = 0.0026954 k( 149) = ( 0.0000000 0.0000000 0.4685468), wk = 0.0026954 k( 150) = ( 0.0000000 0.0000000 0.4827452), wk = 0.0026954 k( 151) = ( 0.0000000 0.0000000 0.4969436), wk = 0.0026954 k( 152) = ( 0.0000000 0.0000000 0.5111420), wk = 0.0026954 k( 153) = ( 0.0000000 0.0000000 0.5253404), wk = 0.0026954 k( 154) = ( 0.0000000 0.0000000 0.5395388), wk = 0.0026954 k( 155) = ( 0.0000000 0.0000000 0.5537372), wk = 0.0026954 k( 156) = ( 0.0000000 0.0000000 0.5679356), wk = 0.0026954 k( 157) = ( 0.0000000 0.0000000 0.5821339), wk = 0.0026954 k( 158) = ( 0.0000000 0.0000000 0.5963323), wk = 0.0026954 k( 159) = ( 0.0000000 0.0000000 0.6105307), wk = 0.0026954 k( 160) = ( 0.0000000 0.0000000 0.6247291), wk = 0.0026954 k( 161) = ( 0.0000000 0.0000000 0.6389275), wk = 0.0026954 k( 162) = ( 0.0000000 0.0000000 0.6531259), wk = 0.0026954 k( 163) = ( 0.0000000 0.0000000 0.6531259), wk = 0.0026954 k( 164) = ( 0.0121951 0.0070409 0.6531259), wk = 0.0026954 k( 165) = ( 0.0243902 0.0140817 0.6531259), wk = 0.0026954 k( 166) = ( 0.0365854 0.0211226 0.6531259), wk = 0.0026954 k( 167) = ( 0.0487805 0.0281634 0.6531259), wk = 0.0026954 k( 168) = ( 0.0609756 0.0352043 0.6531259), wk = 0.0026954 k( 169) = ( 0.0731707 0.0422451 0.6531259), wk = 0.0026954 k( 170) = ( 0.0853658 0.0492860 0.6531259), wk = 0.0026954 k( 171) = ( 0.0975610 0.0563269 0.6531259), wk = 0.0026954 k( 172) = ( 0.1097561 0.0633677 0.6531259), wk = 0.0026954 k( 173) = ( 0.1219512 0.0704086 0.6531259), wk = 0.0026954 k( 174) = ( 0.1341463 0.0774494 0.6531259), wk = 0.0026954 k( 175) = ( 0.1463415 0.0844903 0.6531259), wk = 0.0026954 k( 176) = ( 0.1585366 0.0915311 0.6531259), wk = 0.0026954 k( 177) = ( 0.1707317 0.0985720 0.6531259), wk = 0.0026954 k( 178) = ( 0.1829268 0.1056129 0.6531259), wk = 0.0026954 k( 179) = ( 0.1951219 0.1126537 0.6531259), wk = 0.0026954 k( 180) = ( 0.2073171 0.1196946 0.6531259), wk = 0.0026954 k( 181) = ( 0.2195122 0.1267354 0.6531259), wk = 0.0026954 k( 182) = ( 0.2317073 0.1337763 0.6531259), wk = 0.0026954 k( 183) = ( 0.2439024 0.1408171 0.6531259), wk = 0.0026954 k( 184) = ( 0.2560976 0.1478580 0.6531259), wk = 0.0026954 k( 185) = ( 0.2682927 0.1548989 0.6531259), wk = 0.0026954 k( 186) = ( 0.2804878 0.1619397 0.6531259), wk = 0.0026954 k( 187) = ( 0.2926829 0.1689806 0.6531259), wk = 0.0026954 k( 188) = ( 0.3048781 0.1760214 0.6531259), wk = 0.0026954 k( 189) = ( 0.3170732 0.1830623 0.6531259), wk = 0.0026954 k( 190) = ( 0.3292683 0.1901031 0.6531259), wk = 0.0026954 k( 191) = ( 0.3414634 0.1971440 0.6531259), wk = 0.0026954 k( 192) = ( 0.3536585 0.2041849 0.6531259), wk = 0.0026954 k( 193) = ( 0.3658537 0.2112257 0.6531259), wk = 0.0026954 k( 194) = ( 0.3780488 0.2182666 0.6531259), wk = 0.0026954 k( 195) = ( 0.3902439 0.2253074 0.6531259), wk = 0.0026954 k( 196) = ( 0.4024390 0.2323483 0.6531259), wk = 0.0026954 k( 197) = ( 0.4146341 0.2393891 0.6531259), wk = 0.0026954 k( 198) = ( 0.4268293 0.2464300 0.6531259), wk = 0.0026954 k( 199) = ( 0.4390244 0.2534708 0.6531259), wk = 0.0026954 k( 200) = ( 0.4512195 0.2605117 0.6531259), wk = 0.0026954 k( 201) = ( 0.4634146 0.2675526 0.6531259), wk = 0.0026954 k( 202) = ( 0.4756098 0.2745934 0.6531259), wk = 0.0026954 k( 203) = ( 0.4878049 0.2816343 0.6531259), wk = 0.0026954 k( 204) = ( 0.5000000 0.2886751 0.6531259), wk = 0.0026954 k( 205) = ( 0.5000000 0.2886751 0.6531259), wk = 0.0026954 k( 206) = ( 0.4930556 0.3007033 0.6531259), wk = 0.0026954 k( 207) = ( 0.4861111 0.3127314 0.6531259), wk = 0.0026954 k( 208) = ( 0.4791667 0.3247595 0.6531259), wk = 0.0026954 k( 209) = ( 0.4722222 0.3367877 0.6531259), wk = 0.0026954 k( 210) = ( 0.4652778 0.3488158 0.6531259), wk = 0.0026954 k( 211) = ( 0.4583333 0.3608439 0.6531259), wk = 0.0026954 k( 212) = ( 0.4513889 0.3728720 0.6531259), wk = 0.0026954 k( 213) = ( 0.4444444 0.3849002 0.6531259), wk = 0.0026954 k( 214) = ( 0.4375000 0.3969283 0.6531259), wk = 0.0026954 k( 215) = ( 0.4305556 0.4089564 0.6531259), wk = 0.0026954 k( 216) = ( 0.4236111 0.4209846 0.6531259), wk = 0.0026954 k( 217) = ( 0.4166667 0.4330127 0.6531259), wk = 0.0026954 k( 218) = ( 0.4097222 0.4450408 0.6531259), wk = 0.0026954 k( 219) = ( 0.4027778 0.4570690 0.6531259), wk = 0.0026954 k( 220) = ( 0.3958333 0.4690971 0.6531259), wk = 0.0026954 k( 221) = ( 0.3888889 0.4811252 0.6531259), wk = 0.0026954 k( 222) = ( 0.3819444 0.4931534 0.6531259), wk = 0.0026954 k( 223) = ( 0.3750000 0.5051815 0.6531259), wk = 0.0026954 k( 224) = ( 0.3680556 0.5172096 0.6531259), wk = 0.0026954 k( 225) = ( 0.3611111 0.5292377 0.6531259), wk = 0.0026954 k( 226) = ( 0.3541667 0.5412659 0.6531259), wk = 0.0026954 k( 227) = ( 0.3472222 0.5532940 0.6531259), wk = 0.0026954 k( 228) = ( 0.3402778 0.5653221 0.6531259), wk = 0.0026954 k( 229) = ( 0.3333333 0.5773503 0.6531259), wk = 0.0026954 k( 230) = ( 0.3333333 0.5773503 0.6531259), wk = 0.0026954 k( 231) = ( 0.3262411 0.5650662 0.6531259), wk = 0.0026954 k( 232) = ( 0.3191489 0.5527822 0.6531259), wk = 0.0026954 k( 233) = ( 0.3120567 0.5404981 0.6531259), wk = 0.0026954 k( 234) = ( 0.3049645 0.5282141 0.6531259), wk = 0.0026954 k( 235) = ( 0.2978723 0.5159300 0.6531259), wk = 0.0026954 k( 236) = ( 0.2907801 0.5036460 0.6531259), wk = 0.0026954 k( 237) = ( 0.2836879 0.4913619 0.6531259), wk = 0.0026954 k( 238) = ( 0.2765957 0.4790779 0.6531259), wk = 0.0026954 k( 239) = ( 0.2695035 0.4667938 0.6531259), wk = 0.0026954 k( 240) = ( 0.2624113 0.4545098 0.6531259), wk = 0.0026954 k( 241) = ( 0.2553191 0.4422257 0.6531259), wk = 0.0026954 k( 242) = ( 0.2482270 0.4299417 0.6531259), wk = 0.0026954 k( 243) = ( 0.2411348 0.4176576 0.6531259), wk = 0.0026954 k( 244) = ( 0.2340425 0.4053736 0.6531259), wk = 0.0026954 k( 245) = ( 0.2269503 0.3930895 0.6531259), wk = 0.0026954 k( 246) = ( 0.2198582 0.3808055 0.6531259), wk = 0.0026954 k( 247) = ( 0.2127660 0.3685215 0.6531259), wk = 0.0026954 k( 248) = ( 0.2056738 0.3562374 0.6531259), wk = 0.0026954 k( 249) = ( 0.1985816 0.3439534 0.6531259), wk = 0.0026954 k( 250) = ( 0.1914894 0.3316693 0.6531259), wk = 0.0026954 k( 251) = ( 0.1843972 0.3193852 0.6531259), wk = 0.0026954 k( 252) = ( 0.1773050 0.3071012 0.6531259), wk = 0.0026954 k( 253) = ( 0.1702128 0.2948172 0.6531259), wk = 0.0026954 k( 254) = ( 0.1631206 0.2825331 0.6531259), wk = 0.0026954 k( 255) = ( 0.1560284 0.2702491 0.6531259), wk = 0.0026954 k( 256) = ( 0.1489362 0.2579650 0.6531259), wk = 0.0026954 k( 257) = ( 0.1418440 0.2456810 0.6531259), wk = 0.0026954 k( 258) = ( 0.1347518 0.2333969 0.6531259), wk = 0.0026954 k( 259) = ( 0.1276596 0.2211129 0.6531259), wk = 0.0026954 k( 260) = ( 0.1205674 0.2088288 0.6531259), wk = 0.0026954 k( 261) = ( 0.1134752 0.1965448 0.6531259), wk = 0.0026954 k( 262) = ( 0.1063830 0.1842607 0.6531259), wk = 0.0026954 k( 263) = ( 0.0992908 0.1719767 0.6531259), wk = 0.0026954 k( 264) = ( 0.0921986 0.1596926 0.6531259), wk = 0.0026954 k( 265) = ( 0.0851064 0.1474086 0.6531259), wk = 0.0026954 k( 266) = ( 0.0780142 0.1351245 0.6531259), wk = 0.0026954 k( 267) = ( 0.0709220 0.1228405 0.6531259), wk = 0.0026954 k( 268) = ( 0.0638298 0.1105564 0.6531259), wk = 0.0026954 k( 269) = ( 0.0567376 0.0982724 0.6531259), wk = 0.0026954 k( 270) = ( 0.0496454 0.0859883 0.6531259), wk = 0.0026954 k( 271) = ( 0.0425532 0.0737043 0.6531259), wk = 0.0026954 k( 272) = ( 0.0354610 0.0614202 0.6531259), wk = 0.0026954 k( 273) = ( 0.0283688 0.0491362 0.6531259), wk = 0.0026954 k( 274) = ( 0.0212766 0.0368522 0.6531259), wk = 0.0026954 k( 275) = ( 0.0141844 0.0245681 0.6531259), wk = 0.0026954 k( 276) = ( 0.0070922 0.0122841 0.6531259), wk = 0.0026954 k( 277) = ( 0.0000000 0.0000000 0.6531259), wk = 0.0026954 k( 278) = ( 0.5000000 0.2886751 0.6531259), wk = 0.0026954 k( 279) = ( 0.5000000 0.2886751 0.6389275), wk = 0.0026954 k( 280) = ( 0.5000000 0.2886751 0.6247291), wk = 0.0026954 k( 281) = ( 0.5000000 0.2886751 0.6105307), wk = 0.0026954 k( 282) = ( 0.5000000 0.2886751 0.5963323), wk = 0.0026954 k( 283) = ( 0.5000000 0.2886751 0.5821339), wk = 0.0026954 k( 284) = ( 0.5000000 0.2886751 0.5679356), wk = 0.0026954 k( 285) = ( 0.5000000 0.2886751 0.5537372), wk = 0.0026954 k( 286) = ( 0.5000000 0.2886751 0.5395388), wk = 0.0026954 k( 287) = ( 0.5000000 0.2886751 0.5253404), wk = 0.0026954 k( 288) = ( 0.5000000 0.2886751 0.5111420), wk = 0.0026954 k( 289) = ( 0.5000000 0.2886751 0.4969436), wk = 0.0026954 k( 290) = ( 0.5000000 0.2886751 0.4827452), wk = 0.0026954 k( 291) = ( 0.5000000 0.2886751 0.4685468), wk = 0.0026954 k( 292) = ( 0.5000000 0.2886751 0.4543485), wk = 0.0026954 k( 293) = ( 0.5000000 0.2886751 0.4401501), wk = 0.0026954 k( 294) = ( 0.5000000 0.2886751 0.4259517), wk = 0.0026954 k( 295) = ( 0.5000000 0.2886751 0.4117533), wk = 0.0026954 k( 296) = ( 0.5000000 0.2886751 0.3975549), wk = 0.0026954 k( 297) = ( 0.5000000 0.2886751 0.3833565), wk = 0.0026954 k( 298) = ( 0.5000000 0.2886751 0.3691581), wk = 0.0026954 k( 299) = ( 0.5000000 0.2886751 0.3549597), wk = 0.0026954 k( 300) = ( 0.5000000 0.2886751 0.3407613), wk = 0.0026954 k( 301) = ( 0.5000000 0.2886751 0.3265630), wk = 0.0026954 k( 302) = ( 0.5000000 0.2886751 0.3123646), wk = 0.0026954 k( 303) = ( 0.5000000 0.2886751 0.2981662), wk = 0.0026954 k( 304) = ( 0.5000000 0.2886751 0.2839678), wk = 0.0026954 k( 305) = ( 0.5000000 0.2886751 0.2697694), wk = 0.0026954 k( 306) = ( 0.5000000 0.2886751 0.2555710), wk = 0.0026954 k( 307) = ( 0.5000000 0.2886751 0.2413726), wk = 0.0026954 k( 308) = ( 0.5000000 0.2886751 0.2271742), wk = 0.0026954 k( 309) = ( 0.5000000 0.2886751 0.2129758), wk = 0.0026954 k( 310) = ( 0.5000000 0.2886751 0.1987774), wk = 0.0026954 k( 311) = ( 0.5000000 0.2886751 0.1845791), wk = 0.0026954 k( 312) = ( 0.5000000 0.2886751 0.1703807), wk = 0.0026954 k( 313) = ( 0.5000000 0.2886751 0.1561823), wk = 0.0026954 k( 314) = ( 0.5000000 0.2886751 0.1419839), wk = 0.0026954 k( 315) = ( 0.5000000 0.2886751 0.1277855), wk = 0.0026954 k( 316) = ( 0.5000000 0.2886751 0.1135871), wk = 0.0026954 k( 317) = ( 0.5000000 0.2886751 0.0993887), wk = 0.0026954 k( 318) = ( 0.5000000 0.2886751 0.0851903), wk = 0.0026954 k( 319) = ( 0.5000000 0.2886751 0.0709920), wk = 0.0026954 k( 320) = ( 0.5000000 0.2886751 0.0567936), wk = 0.0026954 k( 321) = ( 0.5000000 0.2886751 0.0425952), wk = 0.0026954 k( 322) = ( 0.5000000 0.2886751 0.0283968), wk = 0.0026954 k( 323) = ( 0.5000000 0.2886751 0.0141984), wk = 0.0026954 k( 324) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0026954 k( 325) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0026954 k( 326) = ( 0.3333333 0.5773503 0.0141984), wk = 0.0026954 k( 327) = ( 0.3333333 0.5773503 0.0283968), wk = 0.0026954 k( 328) = ( 0.3333333 0.5773503 0.0425952), wk = 0.0026954 k( 329) = ( 0.3333333 0.5773503 0.0567936), wk = 0.0026954 k( 330) = ( 0.3333333 0.5773503 0.0709920), wk = 0.0026954 k( 331) = ( 0.3333333 0.5773503 0.0851903), wk = 0.0026954 k( 332) = ( 0.3333333 0.5773503 0.0993887), wk = 0.0026954 k( 333) = ( 0.3333333 0.5773503 0.1135871), wk = 0.0026954 k( 334) = ( 0.3333333 0.5773503 0.1277855), wk = 0.0026954 k( 335) = ( 0.3333333 0.5773503 0.1419839), wk = 0.0026954 k( 336) = ( 0.3333333 0.5773503 0.1561823), wk = 0.0026954 k( 337) = ( 0.3333333 0.5773503 0.1703807), wk = 0.0026954 k( 338) = ( 0.3333333 0.5773503 0.1845791), wk = 0.0026954 k( 339) = ( 0.3333333 0.5773503 0.1987774), wk = 0.0026954 k( 340) = ( 0.3333333 0.5773503 0.2129758), wk = 0.0026954 k( 341) = ( 0.3333333 0.5773503 0.2271742), wk = 0.0026954 k( 342) = ( 0.3333333 0.5773503 0.2413726), wk = 0.0026954 k( 343) = ( 0.3333333 0.5773503 0.2555710), wk = 0.0026954 k( 344) = ( 0.3333333 0.5773503 0.2697694), wk = 0.0026954 k( 345) = ( 0.3333333 0.5773503 0.2839678), wk = 0.0026954 k( 346) = ( 0.3333333 0.5773503 0.2981662), wk = 0.0026954 k( 347) = ( 0.3333333 0.5773503 0.3123646), wk = 0.0026954 k( 348) = ( 0.3333333 0.5773503 0.3265630), wk = 0.0026954 k( 349) = ( 0.3333333 0.5773503 0.3407613), wk = 0.0026954 k( 350) = ( 0.3333333 0.5773503 0.3549597), wk = 0.0026954 k( 351) = ( 0.3333333 0.5773503 0.3691581), wk = 0.0026954 k( 352) = ( 0.3333333 0.5773503 0.3833565), wk = 0.0026954 k( 353) = ( 0.3333333 0.5773503 0.3975549), wk = 0.0026954 k( 354) = ( 0.3333333 0.5773503 0.4117533), wk = 0.0026954 k( 355) = ( 0.3333333 0.5773503 0.4259517), wk = 0.0026954 k( 356) = ( 0.3333333 0.5773503 0.4401501), wk = 0.0026954 k( 357) = ( 0.3333333 0.5773503 0.4543485), wk = 0.0026954 k( 358) = ( 0.3333333 0.5773503 0.4685468), wk = 0.0026954 k( 359) = ( 0.3333333 0.5773503 0.4827452), wk = 0.0026954 k( 360) = ( 0.3333333 0.5773503 0.4969436), wk = 0.0026954 k( 361) = ( 0.3333333 0.5773503 0.5111420), wk = 0.0026954 k( 362) = ( 0.3333333 0.5773503 0.5253404), wk = 0.0026954 k( 363) = ( 0.3333333 0.5773503 0.5395388), wk = 0.0026954 k( 364) = ( 0.3333333 0.5773503 0.5537372), wk = 0.0026954 k( 365) = ( 0.3333333 0.5773503 0.5679356), wk = 0.0026954 k( 366) = ( 0.3333333 0.5773503 0.5821339), wk = 0.0026954 k( 367) = ( 0.3333333 0.5773503 0.5963323), wk = 0.0026954 k( 368) = ( 0.3333333 0.5773503 0.6105307), wk = 0.0026954 k( 369) = ( 0.3333333 0.5773503 0.6247291), wk = 0.0026954 k( 370) = ( 0.3333333 0.5773503 0.6389275), wk = 0.0026954 k( 371) = ( 0.3333333 0.5773503 0.6531259), wk = 0.0026954 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026954 k( 2) = ( 0.0121951 0.0000000 0.0000000), wk = 0.0026954 k( 3) = ( 0.0243902 0.0000000 0.0000000), wk = 0.0026954 k( 4) = ( 0.0365854 0.0000000 0.0000000), wk = 0.0026954 k( 5) = ( 0.0487805 0.0000000 0.0000000), wk = 0.0026954 k( 6) = ( 0.0609756 -0.0000000 0.0000000), wk = 0.0026954 k( 7) = ( 0.0731707 0.0000000 0.0000000), wk = 0.0026954 k( 8) = ( 0.0853658 -0.0000000 0.0000000), wk = 0.0026954 k( 9) = ( 0.0975610 0.0000000 0.0000000), wk = 0.0026954 k( 10) = ( 0.1097561 0.0000000 0.0000000), wk = 0.0026954 k( 11) = ( 0.1219512 -0.0000000 0.0000000), wk = 0.0026954 k( 12) = ( 0.1341463 0.0000000 0.0000000), wk = 0.0026954 k( 13) = ( 0.1463415 0.0000000 0.0000000), wk = 0.0026954 k( 14) = ( 0.1585366 -0.0000000 0.0000000), wk = 0.0026954 k( 15) = ( 0.1707317 -0.0000000 0.0000000), wk = 0.0026954 k( 16) = ( 0.1829268 -0.0000000 0.0000000), wk = 0.0026954 k( 17) = ( 0.1951219 0.0000000 0.0000000), wk = 0.0026954 k( 18) = ( 0.2073171 -0.0000000 0.0000000), wk = 0.0026954 k( 19) = ( 0.2195122 0.0000000 0.0000000), wk = 0.0026954 k( 20) = ( 0.2317073 -0.0000000 0.0000000), wk = 0.0026954 k( 21) = ( 0.2439024 -0.0000000 0.0000000), wk = 0.0026954 k( 22) = ( 0.2560976 0.0000000 0.0000000), wk = 0.0026954 k( 23) = ( 0.2682927 0.0000000 0.0000000), wk = 0.0026954 k( 24) = ( 0.2804878 0.0000000 0.0000000), wk = 0.0026954 k( 25) = ( 0.2926829 -0.0000000 0.0000000), wk = 0.0026954 k( 26) = ( 0.3048781 0.0000000 0.0000000), wk = 0.0026954 k( 27) = ( 0.3170732 0.0000000 0.0000000), wk = 0.0026954 k( 28) = ( 0.3292683 -0.0000000 0.0000000), wk = 0.0026954 k( 29) = ( 0.3414634 -0.0000000 0.0000000), wk = 0.0026954 k( 30) = ( 0.3536585 -0.0000000 0.0000000), wk = 0.0026954 k( 31) = ( 0.3658537 -0.0000000 0.0000000), wk = 0.0026954 k( 32) = ( 0.3780488 0.0000000 0.0000000), wk = 0.0026954 k( 33) = ( 0.3902439 0.0000000 0.0000000), wk = 0.0026954 k( 34) = ( 0.4024390 0.0000000 0.0000000), wk = 0.0026954 k( 35) = ( 0.4146341 0.0000000 0.0000000), wk = 0.0026954 k( 36) = ( 0.4268293 -0.0000000 0.0000000), wk = 0.0026954 k( 37) = ( 0.4390244 0.0000000 0.0000000), wk = 0.0026954 k( 38) = ( 0.4512195 -0.0000000 0.0000000), wk = 0.0026954 k( 39) = ( 0.4634146 -0.0000000 0.0000000), wk = 0.0026954 k( 40) = ( 0.4756098 -0.0000000 0.0000000), wk = 0.0026954 k( 41) = ( 0.4878049 -0.0000000 0.0000000), wk = 0.0026954 k( 42) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026954 k( 43) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026954 k( 44) = ( 0.4930556 0.0138889 0.0000000), wk = 0.0026954 k( 45) = ( 0.4861111 0.0277778 0.0000000), wk = 0.0026954 k( 46) = ( 0.4791667 0.0416667 0.0000000), wk = 0.0026954 k( 47) = ( 0.4722222 0.0555556 0.0000000), wk = 0.0026954 k( 48) = ( 0.4652778 0.0694444 0.0000000), wk = 0.0026954 k( 49) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0026954 k( 50) = ( 0.4513889 0.0972222 0.0000000), wk = 0.0026954 k( 51) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0026954 k( 52) = ( 0.4375000 0.1250000 0.0000000), wk = 0.0026954 k( 53) = ( 0.4305556 0.1388889 0.0000000), wk = 0.0026954 k( 54) = ( 0.4236111 0.1527778 0.0000000), wk = 0.0026954 k( 55) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0026954 k( 56) = ( 0.4097222 0.1805556 0.0000000), wk = 0.0026954 k( 57) = ( 0.4027778 0.1944444 0.0000000), wk = 0.0026954 k( 58) = ( 0.3958333 0.2083333 0.0000000), wk = 0.0026954 k( 59) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0026954 k( 60) = ( 0.3819444 0.2361111 0.0000000), wk = 0.0026954 k( 61) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0026954 k( 62) = ( 0.3680556 0.2638889 0.0000000), wk = 0.0026954 k( 63) = ( 0.3611111 0.2777778 0.0000000), wk = 0.0026954 k( 64) = ( 0.3541667 0.2916667 0.0000000), wk = 0.0026954 k( 65) = ( 0.3472222 0.3055556 0.0000000), wk = 0.0026954 k( 66) = ( 0.3402778 0.3194444 0.0000000), wk = 0.0026954 k( 67) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0026954 k( 68) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0026954 k( 69) = ( 0.3262411 0.3262411 0.0000000), wk = 0.0026954 k( 70) = ( 0.3191489 0.3191489 0.0000000), wk = 0.0026954 k( 71) = ( 0.3120567 0.3120567 -0.0000000), wk = 0.0026954 k( 72) = ( 0.3049645 0.3049645 0.0000000), wk = 0.0026954 k( 73) = ( 0.2978723 0.2978723 0.0000000), wk = 0.0026954 k( 74) = ( 0.2907801 0.2907801 0.0000000), wk = 0.0026954 k( 75) = ( 0.2836879 0.2836879 -0.0000000), wk = 0.0026954 k( 76) = ( 0.2765957 0.2765957 0.0000000), wk = 0.0026954 k( 77) = ( 0.2695035 0.2695035 0.0000000), wk = 0.0026954 k( 78) = ( 0.2624113 0.2624113 0.0000000), wk = 0.0026954 k( 79) = ( 0.2553191 0.2553191 0.0000000), wk = 0.0026954 k( 80) = ( 0.2482270 0.2482270 0.0000000), wk = 0.0026954 k( 81) = ( 0.2411348 0.2411347 0.0000000), wk = 0.0026954 k( 82) = ( 0.2340425 0.2340425 -0.0000000), wk = 0.0026954 k( 83) = ( 0.2269503 0.2269503 0.0000000), wk = 0.0026954 k( 84) = ( 0.2198582 0.2198582 0.0000000), wk = 0.0026954 k( 85) = ( 0.2127660 0.2127660 0.0000000), wk = 0.0026954 k( 86) = ( 0.2056738 0.2056738 0.0000000), wk = 0.0026954 k( 87) = ( 0.1985816 0.1985816 -0.0000000), wk = 0.0026954 k( 88) = ( 0.1914894 0.1914894 0.0000000), wk = 0.0026954 k( 89) = ( 0.1843972 0.1843972 0.0000000), wk = 0.0026954 k( 90) = ( 0.1773050 0.1773050 0.0000000), wk = 0.0026954 k( 91) = ( 0.1702128 0.1702128 0.0000000), wk = 0.0026954 k( 92) = ( 0.1631206 0.1631206 0.0000000), wk = 0.0026954 k( 93) = ( 0.1560284 0.1560284 -0.0000000), wk = 0.0026954 k( 94) = ( 0.1489362 0.1489362 0.0000000), wk = 0.0026954 k( 95) = ( 0.1418440 0.1418440 -0.0000000), wk = 0.0026954 k( 96) = ( 0.1347518 0.1347518 0.0000000), wk = 0.0026954 k( 97) = ( 0.1276596 0.1276596 -0.0000000), wk = 0.0026954 k( 98) = ( 0.1205674 0.1205674 0.0000000), wk = 0.0026954 k( 99) = ( 0.1134752 0.1134752 0.0000000), wk = 0.0026954 k( 100) = ( 0.1063830 0.1063830 0.0000000), wk = 0.0026954 k( 101) = ( 0.0992908 0.0992908 -0.0000000), wk = 0.0026954 k( 102) = ( 0.0921986 0.0921986 0.0000000), wk = 0.0026954 k( 103) = ( 0.0851064 0.0851064 0.0000000), wk = 0.0026954 k( 104) = ( 0.0780142 0.0780142 0.0000000), wk = 0.0026954 k( 105) = ( 0.0709220 0.0709220 0.0000000), wk = 0.0026954 k( 106) = ( 0.0638298 0.0638298 0.0000000), wk = 0.0026954 k( 107) = ( 0.0567376 0.0567376 0.0000000), wk = 0.0026954 k( 108) = ( 0.0496454 0.0496454 -0.0000000), wk = 0.0026954 k( 109) = ( 0.0425532 0.0425532 0.0000000), wk = 0.0026954 k( 110) = ( 0.0354610 0.0354610 0.0000000), wk = 0.0026954 k( 111) = ( 0.0283688 0.0283688 0.0000000), wk = 0.0026954 k( 112) = ( 0.0212766 0.0212766 0.0000000), wk = 0.0026954 k( 113) = ( 0.0141844 0.0141844 0.0000000), wk = 0.0026954 k( 114) = ( 0.0070922 0.0070922 0.0000000), wk = 0.0026954 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026954 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026954 k( 117) = ( 0.0000000 0.0000000 0.0108696), wk = 0.0026954 k( 118) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0026954 k( 119) = ( 0.0000000 0.0000000 0.0326087), wk = 0.0026954 k( 120) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0026954 k( 121) = ( 0.0000000 0.0000000 0.0543478), wk = 0.0026954 k( 122) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0026954 k( 123) = ( 0.0000000 0.0000000 0.0760870), wk = 0.0026954 k( 124) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0026954 k( 125) = ( 0.0000000 0.0000000 0.0978261), wk = 0.0026954 k( 126) = ( 0.0000000 0.0000000 0.1086956), wk = 0.0026954 k( 127) = ( 0.0000000 0.0000000 0.1195652), wk = 0.0026954 k( 128) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0026954 k( 129) = ( 0.0000000 0.0000000 0.1413043), wk = 0.0026954 k( 130) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0026954 k( 131) = ( 0.0000000 0.0000000 0.1630435), wk = 0.0026954 k( 132) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0026954 k( 133) = ( 0.0000000 0.0000000 0.1847826), wk = 0.0026954 k( 134) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0026954 k( 135) = ( 0.0000000 0.0000000 0.2065217), wk = 0.0026954 k( 136) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0026954 k( 137) = ( 0.0000000 0.0000000 0.2282609), wk = 0.0026954 k( 138) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0026954 k( 139) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0026954 k( 140) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0026954 k( 141) = ( 0.0000000 0.0000000 0.2717391), wk = 0.0026954 k( 142) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0026954 k( 143) = ( 0.0000000 0.0000000 0.2934783), wk = 0.0026954 k( 144) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0026954 k( 145) = ( 0.0000000 0.0000000 0.3152174), wk = 0.0026954 k( 146) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0026954 k( 147) = ( 0.0000000 0.0000000 0.3369565), wk = 0.0026954 k( 148) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0026954 k( 149) = ( 0.0000000 0.0000000 0.3586956), wk = 0.0026954 k( 150) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0026954 k( 151) = ( 0.0000000 0.0000000 0.3804348), wk = 0.0026954 k( 152) = ( 0.0000000 0.0000000 0.3913043), wk = 0.0026954 k( 153) = ( 0.0000000 0.0000000 0.4021739), wk = 0.0026954 k( 154) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0026954 k( 155) = ( 0.0000000 0.0000000 0.4239130), wk = 0.0026954 k( 156) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0026954 k( 157) = ( 0.0000000 0.0000000 0.4456522), wk = 0.0026954 k( 158) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0026954 k( 159) = ( 0.0000000 0.0000000 0.4673913), wk = 0.0026954 k( 160) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0026954 k( 161) = ( 0.0000000 0.0000000 0.4891304), wk = 0.0026954 k( 162) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026954 k( 163) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026954 k( 164) = ( 0.0121951 0.0000000 0.5000000), wk = 0.0026954 k( 165) = ( 0.0243902 0.0000000 0.5000000), wk = 0.0026954 k( 166) = ( 0.0365854 0.0000000 0.5000000), wk = 0.0026954 k( 167) = ( 0.0487805 0.0000000 0.5000000), wk = 0.0026954 k( 168) = ( 0.0609756 -0.0000000 0.5000000), wk = 0.0026954 k( 169) = ( 0.0731707 0.0000000 0.5000000), wk = 0.0026954 k( 170) = ( 0.0853658 -0.0000000 0.5000000), wk = 0.0026954 k( 171) = ( 0.0975610 0.0000000 0.5000000), wk = 0.0026954 k( 172) = ( 0.1097561 0.0000000 0.5000000), wk = 0.0026954 k( 173) = ( 0.1219512 -0.0000000 0.5000000), wk = 0.0026954 k( 174) = ( 0.1341463 0.0000000 0.5000000), wk = 0.0026954 k( 175) = ( 0.1463415 0.0000000 0.5000000), wk = 0.0026954 k( 176) = ( 0.1585366 -0.0000000 0.5000000), wk = 0.0026954 k( 177) = ( 0.1707317 -0.0000000 0.5000000), wk = 0.0026954 k( 178) = ( 0.1829268 -0.0000000 0.5000000), wk = 0.0026954 k( 179) = ( 0.1951219 0.0000000 0.5000000), wk = 0.0026954 k( 180) = ( 0.2073171 -0.0000000 0.5000000), wk = 0.0026954 k( 181) = ( 0.2195122 0.0000000 0.5000000), wk = 0.0026954 k( 182) = ( 0.2317073 -0.0000000 0.5000000), wk = 0.0026954 k( 183) = ( 0.2439024 -0.0000000 0.5000000), wk = 0.0026954 k( 184) = ( 0.2560976 0.0000000 0.5000000), wk = 0.0026954 k( 185) = ( 0.2682927 0.0000000 0.5000000), wk = 0.0026954 k( 186) = ( 0.2804878 0.0000000 0.5000000), wk = 0.0026954 k( 187) = ( 0.2926829 -0.0000000 0.5000000), wk = 0.0026954 k( 188) = ( 0.3048781 0.0000000 0.5000000), wk = 0.0026954 k( 189) = ( 0.3170732 0.0000000 0.5000000), wk = 0.0026954 k( 190) = ( 0.3292683 -0.0000000 0.5000000), wk = 0.0026954 k( 191) = ( 0.3414634 -0.0000000 0.5000000), wk = 0.0026954 k( 192) = ( 0.3536585 -0.0000000 0.5000000), wk = 0.0026954 k( 193) = ( 0.3658537 -0.0000000 0.5000000), wk = 0.0026954 k( 194) = ( 0.3780488 0.0000000 0.5000000), wk = 0.0026954 k( 195) = ( 0.3902439 0.0000000 0.5000000), wk = 0.0026954 k( 196) = ( 0.4024390 0.0000000 0.5000000), wk = 0.0026954 k( 197) = ( 0.4146341 0.0000000 0.5000000), wk = 0.0026954 k( 198) = ( 0.4268293 -0.0000000 0.5000000), wk = 0.0026954 k( 199) = ( 0.4390244 0.0000000 0.5000000), wk = 0.0026954 k( 200) = ( 0.4512195 -0.0000000 0.5000000), wk = 0.0026954 k( 201) = ( 0.4634146 -0.0000000 0.5000000), wk = 0.0026954 k( 202) = ( 0.4756098 -0.0000000 0.5000000), wk = 0.0026954 k( 203) = ( 0.4878049 -0.0000000 0.5000000), wk = 0.0026954 k( 204) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026954 k( 205) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026954 k( 206) = ( 0.4930556 0.0138889 0.5000000), wk = 0.0026954 k( 207) = ( 0.4861111 0.0277778 0.5000000), wk = 0.0026954 k( 208) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0026954 k( 209) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0026954 k( 210) = ( 0.4652778 0.0694444 0.5000000), wk = 0.0026954 k( 211) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0026954 k( 212) = ( 0.4513889 0.0972222 0.5000000), wk = 0.0026954 k( 213) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0026954 k( 214) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0026954 k( 215) = ( 0.4305556 0.1388889 0.5000000), wk = 0.0026954 k( 216) = ( 0.4236111 0.1527778 0.5000000), wk = 0.0026954 k( 217) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0026954 k( 218) = ( 0.4097222 0.1805556 0.5000000), wk = 0.0026954 k( 219) = ( 0.4027778 0.1944444 0.5000000), wk = 0.0026954 k( 220) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0026954 k( 221) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0026954 k( 222) = ( 0.3819444 0.2361111 0.5000000), wk = 0.0026954 k( 223) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0026954 k( 224) = ( 0.3680556 0.2638889 0.5000000), wk = 0.0026954 k( 225) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0026954 k( 226) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0026954 k( 227) = ( 0.3472222 0.3055556 0.5000000), wk = 0.0026954 k( 228) = ( 0.3402778 0.3194444 0.5000000), wk = 0.0026954 k( 229) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026954 k( 230) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026954 k( 231) = ( 0.3262411 0.3262411 0.5000000), wk = 0.0026954 k( 232) = ( 0.3191489 0.3191489 0.5000000), wk = 0.0026954 k( 233) = ( 0.3120567 0.3120567 0.5000000), wk = 0.0026954 k( 234) = ( 0.3049645 0.3049645 0.5000000), wk = 0.0026954 k( 235) = ( 0.2978723 0.2978723 0.5000000), wk = 0.0026954 k( 236) = ( 0.2907801 0.2907801 0.5000000), wk = 0.0026954 k( 237) = ( 0.2836879 0.2836879 0.5000000), wk = 0.0026954 k( 238) = ( 0.2765957 0.2765957 0.5000000), wk = 0.0026954 k( 239) = ( 0.2695035 0.2695035 0.5000000), wk = 0.0026954 k( 240) = ( 0.2624113 0.2624113 0.5000000), wk = 0.0026954 k( 241) = ( 0.2553191 0.2553191 0.5000000), wk = 0.0026954 k( 242) = ( 0.2482270 0.2482270 0.5000000), wk = 0.0026954 k( 243) = ( 0.2411348 0.2411347 0.5000000), wk = 0.0026954 k( 244) = ( 0.2340425 0.2340425 0.5000000), wk = 0.0026954 k( 245) = ( 0.2269503 0.2269503 0.5000000), wk = 0.0026954 k( 246) = ( 0.2198582 0.2198582 0.5000000), wk = 0.0026954 k( 247) = ( 0.2127660 0.2127660 0.5000000), wk = 0.0026954 k( 248) = ( 0.2056738 0.2056738 0.5000000), wk = 0.0026954 k( 249) = ( 0.1985816 0.1985816 0.5000000), wk = 0.0026954 k( 250) = ( 0.1914894 0.1914894 0.5000000), wk = 0.0026954 k( 251) = ( 0.1843972 0.1843972 0.5000000), wk = 0.0026954 k( 252) = ( 0.1773050 0.1773050 0.5000000), wk = 0.0026954 k( 253) = ( 0.1702128 0.1702128 0.5000000), wk = 0.0026954 k( 254) = ( 0.1631206 0.1631206 0.5000000), wk = 0.0026954 k( 255) = ( 0.1560284 0.1560284 0.5000000), wk = 0.0026954 k( 256) = ( 0.1489362 0.1489362 0.5000000), wk = 0.0026954 k( 257) = ( 0.1418440 0.1418440 0.5000000), wk = 0.0026954 k( 258) = ( 0.1347518 0.1347518 0.5000000), wk = 0.0026954 k( 259) = ( 0.1276596 0.1276596 0.5000000), wk = 0.0026954 k( 260) = ( 0.1205674 0.1205674 0.5000000), wk = 0.0026954 k( 261) = ( 0.1134752 0.1134752 0.5000000), wk = 0.0026954 k( 262) = ( 0.1063830 0.1063830 0.5000000), wk = 0.0026954 k( 263) = ( 0.0992908 0.0992908 0.5000000), wk = 0.0026954 k( 264) = ( 0.0921986 0.0921986 0.5000000), wk = 0.0026954 k( 265) = ( 0.0851064 0.0851064 0.5000000), wk = 0.0026954 k( 266) = ( 0.0780142 0.0780142 0.5000000), wk = 0.0026954 k( 267) = ( 0.0709220 0.0709220 0.5000000), wk = 0.0026954 k( 268) = ( 0.0638298 0.0638298 0.5000000), wk = 0.0026954 k( 269) = ( 0.0567376 0.0567376 0.5000000), wk = 0.0026954 k( 270) = ( 0.0496454 0.0496454 0.5000000), wk = 0.0026954 k( 271) = ( 0.0425532 0.0425532 0.5000000), wk = 0.0026954 k( 272) = ( 0.0354610 0.0354610 0.5000000), wk = 0.0026954 k( 273) = ( 0.0283688 0.0283688 0.5000000), wk = 0.0026954 k( 274) = ( 0.0212766 0.0212766 0.5000000), wk = 0.0026954 k( 275) = ( 0.0141844 0.0141844 0.5000000), wk = 0.0026954 k( 276) = ( 0.0070922 0.0070922 0.5000000), wk = 0.0026954 k( 277) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026954 k( 278) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026954 k( 279) = ( 0.5000000 0.0000000 0.4891304), wk = 0.0026954 k( 280) = ( 0.5000000 0.0000000 0.4782609), wk = 0.0026954 k( 281) = ( 0.5000000 0.0000000 0.4673913), wk = 0.0026954 k( 282) = ( 0.5000000 0.0000000 0.4565217), wk = 0.0026954 k( 283) = ( 0.5000000 0.0000000 0.4456522), wk = 0.0026954 k( 284) = ( 0.5000000 0.0000000 0.4347826), wk = 0.0026954 k( 285) = ( 0.5000000 0.0000000 0.4239130), wk = 0.0026954 k( 286) = ( 0.5000000 0.0000000 0.4130435), wk = 0.0026954 k( 287) = ( 0.5000000 0.0000000 0.4021739), wk = 0.0026954 k( 288) = ( 0.5000000 0.0000000 0.3913043), wk = 0.0026954 k( 289) = ( 0.5000000 0.0000000 0.3804348), wk = 0.0026954 k( 290) = ( 0.5000000 0.0000000 0.3695652), wk = 0.0026954 k( 291) = ( 0.5000000 0.0000000 0.3586956), wk = 0.0026954 k( 292) = ( 0.5000000 0.0000000 0.3478261), wk = 0.0026954 k( 293) = ( 0.5000000 0.0000000 0.3369565), wk = 0.0026954 k( 294) = ( 0.5000000 0.0000000 0.3260870), wk = 0.0026954 k( 295) = ( 0.5000000 0.0000000 0.3152174), wk = 0.0026954 k( 296) = ( 0.5000000 0.0000000 0.3043478), wk = 0.0026954 k( 297) = ( 0.5000000 0.0000000 0.2934783), wk = 0.0026954 k( 298) = ( 0.5000000 0.0000000 0.2826087), wk = 0.0026954 k( 299) = ( 0.5000000 0.0000000 0.2717391), wk = 0.0026954 k( 300) = ( 0.5000000 0.0000000 0.2608696), wk = 0.0026954 k( 301) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0026954 k( 302) = ( 0.5000000 0.0000000 0.2391304), wk = 0.0026954 k( 303) = ( 0.5000000 0.0000000 0.2282609), wk = 0.0026954 k( 304) = ( 0.5000000 0.0000000 0.2173913), wk = 0.0026954 k( 305) = ( 0.5000000 0.0000000 0.2065217), wk = 0.0026954 k( 306) = ( 0.5000000 0.0000000 0.1956522), wk = 0.0026954 k( 307) = ( 0.5000000 0.0000000 0.1847826), wk = 0.0026954 k( 308) = ( 0.5000000 0.0000000 0.1739130), wk = 0.0026954 k( 309) = ( 0.5000000 0.0000000 0.1630435), wk = 0.0026954 k( 310) = ( 0.5000000 0.0000000 0.1521739), wk = 0.0026954 k( 311) = ( 0.5000000 0.0000000 0.1413043), wk = 0.0026954 k( 312) = ( 0.5000000 0.0000000 0.1304348), wk = 0.0026954 k( 313) = ( 0.5000000 0.0000000 0.1195652), wk = 0.0026954 k( 314) = ( 0.5000000 0.0000000 0.1086957), wk = 0.0026954 k( 315) = ( 0.5000000 0.0000000 0.0978261), wk = 0.0026954 k( 316) = ( 0.5000000 0.0000000 0.0869565), wk = 0.0026954 k( 317) = ( 0.5000000 0.0000000 0.0760870), wk = 0.0026954 k( 318) = ( 0.5000000 0.0000000 0.0652174), wk = 0.0026954 k( 319) = ( 0.5000000 0.0000000 0.0543478), wk = 0.0026954 k( 320) = ( 0.5000000 0.0000000 0.0434783), wk = 0.0026954 k( 321) = ( 0.5000000 0.0000000 0.0326087), wk = 0.0026954 k( 322) = ( 0.5000000 0.0000000 0.0217391), wk = 0.0026954 k( 323) = ( 0.5000000 0.0000000 0.0108696), wk = 0.0026954 k( 324) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026954 k( 325) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0026954 k( 326) = ( 0.3333333 0.3333333 0.0108696), wk = 0.0026954 k( 327) = ( 0.3333333 0.3333333 0.0217391), wk = 0.0026954 k( 328) = ( 0.3333333 0.3333333 0.0326087), wk = 0.0026954 k( 329) = ( 0.3333333 0.3333333 0.0434783), wk = 0.0026954 k( 330) = ( 0.3333333 0.3333333 0.0543478), wk = 0.0026954 k( 331) = ( 0.3333333 0.3333333 0.0652174), wk = 0.0026954 k( 332) = ( 0.3333333 0.3333333 0.0760870), wk = 0.0026954 k( 333) = ( 0.3333333 0.3333333 0.0869565), wk = 0.0026954 k( 334) = ( 0.3333333 0.3333333 0.0978261), wk = 0.0026954 k( 335) = ( 0.3333333 0.3333333 0.1086957), wk = 0.0026954 k( 336) = ( 0.3333333 0.3333333 0.1195652), wk = 0.0026954 k( 337) = ( 0.3333333 0.3333333 0.1304348), wk = 0.0026954 k( 338) = ( 0.3333333 0.3333333 0.1413043), wk = 0.0026954 k( 339) = ( 0.3333333 0.3333333 0.1521739), wk = 0.0026954 k( 340) = ( 0.3333333 0.3333333 0.1630435), wk = 0.0026954 k( 341) = ( 0.3333333 0.3333333 0.1739130), wk = 0.0026954 k( 342) = ( 0.3333333 0.3333333 0.1847826), wk = 0.0026954 k( 343) = ( 0.3333333 0.3333333 0.1956522), wk = 0.0026954 k( 344) = ( 0.3333333 0.3333333 0.2065217), wk = 0.0026954 k( 345) = ( 0.3333333 0.3333333 0.2173913), wk = 0.0026954 k( 346) = ( 0.3333333 0.3333333 0.2282609), wk = 0.0026954 k( 347) = ( 0.3333333 0.3333333 0.2391304), wk = 0.0026954 k( 348) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0026954 k( 349) = ( 0.3333333 0.3333333 0.2608696), wk = 0.0026954 k( 350) = ( 0.3333333 0.3333333 0.2717391), wk = 0.0026954 k( 351) = ( 0.3333333 0.3333333 0.2826087), wk = 0.0026954 k( 352) = ( 0.3333333 0.3333333 0.2934783), wk = 0.0026954 k( 353) = ( 0.3333333 0.3333333 0.3043478), wk = 0.0026954 k( 354) = ( 0.3333333 0.3333333 0.3152174), wk = 0.0026954 k( 355) = ( 0.3333333 0.3333333 0.3260870), wk = 0.0026954 k( 356) = ( 0.3333333 0.3333333 0.3369565), wk = 0.0026954 k( 357) = ( 0.3333333 0.3333333 0.3478261), wk = 0.0026954 k( 358) = ( 0.3333333 0.3333333 0.3586956), wk = 0.0026954 k( 359) = ( 0.3333333 0.3333333 0.3695652), wk = 0.0026954 k( 360) = ( 0.3333333 0.3333333 0.3804348), wk = 0.0026954 k( 361) = ( 0.3333333 0.3333333 0.3913043), wk = 0.0026954 k( 362) = ( 0.3333333 0.3333333 0.4021739), wk = 0.0026954 k( 363) = ( 0.3333333 0.3333333 0.4130435), wk = 0.0026954 k( 364) = ( 0.3333333 0.3333333 0.4239130), wk = 0.0026954 k( 365) = ( 0.3333333 0.3333333 0.4347826), wk = 0.0026954 k( 366) = ( 0.3333333 0.3333333 0.4456522), wk = 0.0026954 k( 367) = ( 0.3333333 0.3333333 0.4565217), wk = 0.0026954 k( 368) = ( 0.3333333 0.3333333 0.4673913), wk = 0.0026954 k( 369) = ( 0.3333333 0.3333333 0.4782609), wk = 0.0026954 k( 370) = ( 0.3333333 0.3333333 0.4891304), wk = 0.0026954 k( 371) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026954 Dense grid: 180949 G-vectors FFT dimensions: ( 81, 81, 64) Smooth grid: 41047 G-vectors FFT dimensions: ( 50, 50, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.18 Mb ( 294, 40) NL pseudopotentials 0.23 Mb ( 147, 104) Each V/rho on FFT grid 0.20 Mb ( 13122) Each G-vector array 0.04 Mb ( 5029) G-vector shells 0.02 Mb ( 2167) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.72 Mb ( 294, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.13 Mb ( 104, 2, 40) The potential is recalculated from file : ./HfBe5.save/charge-density.dat Starting wfc are 70 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.2 secs Computing kpt #: 2 total cpu time spent up to now is 2.6 secs Computing kpt #: 3 total cpu time spent up to now is 3.0 secs Computing kpt #: 4 total cpu time spent up to now is 3.5 secs Computing kpt #: 5 total cpu time spent up to now is 4.0 secs Computing kpt #: 6 total cpu time spent up to now is 4.5 secs Computing kpt #: 7 total cpu time spent up to now is 5.0 secs Computing kpt #: 8 total cpu time spent up to now is 5.5 secs Computing kpt #: 9 total cpu time spent up to now is 5.9 secs Computing kpt #: 10 total cpu time spent up to now is 6.3 secs Computing kpt #: 11 total cpu time spent up to now is 6.7 secs Computing kpt #: 12 total cpu time spent up to now is 7.1 secs Computing kpt #: 13 total cpu time spent up to now is 7.5 secs Computing kpt #: 14 total cpu time spent up to now is 7.9 secs Computing kpt #: 15 total cpu time spent up to now is 8.3 secs Computing kpt #: 16 total cpu time spent up to now is 8.7 secs Computing kpt #: 17 total cpu time spent up to now is 9.0 secs Computing kpt #: 18 total cpu time spent up to now is 9.4 secs Computing kpt #: 19 total cpu time spent up to now is 9.8 secs Computing kpt #: 20 total cpu time spent up to now is 10.2 secs Computing kpt #: 21 total cpu time spent up to now is 10.6 secs Computing kpt #: 22 total cpu time spent up to now is 11.0 secs Computing kpt #: 23 total cpu time spent up to now is 11.4 secs Computing kpt #: 24 total cpu time spent up to now is 11.9 secs Computing kpt #: 25 total cpu time spent up to now is 12.4 secs Computing kpt #: 26 total cpu time spent up to now is 12.9 secs Computing kpt #: 27 total cpu time spent up to now is 13.5 secs Computing kpt #: 28 total cpu time spent up to now is 14.0 secs Computing kpt #: 29 total cpu time spent up to now is 14.5 secs Computing kpt #: 30 total cpu time spent up to now is 15.1 secs Computing kpt #: 31 total cpu time spent up to now is 15.6 secs Computing kpt #: 32 total cpu time spent up to now is 16.0 secs Computing kpt #: 33 total cpu time spent up to now is 16.4 secs Computing kpt #: 34 total cpu time spent up to now is 16.8 secs Computing kpt #: 35 total cpu time spent up to now is 17.2 secs Computing kpt #: 36 total cpu time spent up to now is 17.6 secs Computing kpt #: 37 total cpu time spent up to now is 18.0 secs Computing kpt #: 38 total cpu time spent up to now is 18.4 secs Computing kpt #: 39 total cpu time spent up to now is 18.8 secs Computing kpt #: 40 total cpu time spent up to now is 19.2 secs Computing kpt #: 41 total cpu time spent up to now is 19.6 secs Computing kpt #: 42 total cpu time spent up to now is 20.0 secs Computing kpt #: 43 total cpu time spent up to now is 20.4 secs Computing kpt #: 44 total cpu time spent up to now is 20.8 secs Computing kpt #: 45 total cpu time spent up to now is 21.2 secs Computing kpt #: 46 total cpu time spent up to now is 21.5 secs Computing kpt #: 47 total cpu time spent up to now is 21.9 secs Computing kpt #: 48 total cpu time spent up to now is 22.3 secs Computing kpt #: 49 total cpu time spent up to now is 22.7 secs Computing kpt #: 50 total cpu time spent up to now is 23.1 secs Computing kpt #: 51 total cpu time spent up to now is 23.5 secs Computing kpt #: 52 total cpu time spent up to now is 23.9 secs Computing kpt #: 53 total cpu time spent up to now is 24.3 secs Computing kpt #: 54 total cpu time spent up to now is 24.7 secs Computing kpt #: 55 total cpu time spent up to now is 25.1 secs Computing kpt #: 56 total cpu time spent up to now is 25.5 secs Computing kpt #: 57 total cpu time spent up to now is 25.9 secs Computing kpt #: 58 total cpu time spent up to now is 26.3 secs Computing kpt #: 59 total cpu time spent up to now is 26.7 secs Computing kpt #: 60 total cpu time spent up to now is 27.1 secs Computing kpt #: 61 total cpu time spent up to now is 27.5 secs Computing kpt #: 62 total cpu time spent up to now is 28.0 secs Computing kpt #: 63 total cpu time spent up to now is 28.4 secs Computing kpt #: 64 total cpu time spent up to now is 28.9 secs Computing kpt #: 65 total cpu time spent up to now is 29.5 secs Computing kpt #: 66 total cpu time spent up to now is 30.1 secs Computing kpt #: 67 total cpu time spent up to now is 30.6 secs Computing kpt #: 68 total cpu time spent up to now is 31.2 secs Computing kpt #: 69 total cpu time spent up to now is 31.8 secs Computing kpt #: 70 total cpu time spent up to now is 32.4 secs Computing kpt #: 71 total cpu time spent up to now is 33.0 secs Computing kpt #: 72 total cpu time spent up to now is 33.6 secs Computing kpt #: 73 total cpu time spent up to now is 34.1 secs Computing kpt #: 74 total cpu time spent up to now is 34.7 secs Computing kpt #: 75 total cpu time spent up to now is 35.2 secs Computing kpt #: 76 total cpu time spent up to now is 35.7 secs Computing kpt #: 77 total cpu time spent up to now is 36.2 secs Computing kpt #: 78 total cpu time spent up to now is 36.6 secs Computing kpt #: 79 total cpu time spent up to now is 37.1 secs Computing kpt #: 80 total cpu time spent up to now is 37.5 secs Computing kpt #: 81 total cpu time spent up to now is 38.0 secs Computing kpt #: 82 total cpu time spent up to now is 38.6 secs Computing kpt #: 83 total cpu time spent up to now is 39.1 secs Computing kpt #: 84 total cpu time spent up to now is 39.6 secs Computing kpt #: 85 total cpu time spent up to now is 40.1 secs Computing kpt #: 86 total cpu time spent up to now is 40.6 secs Computing kpt #: 87 total cpu time spent up to now is 41.1 secs Computing kpt #: 88 total cpu time spent up to now is 41.6 secs Computing kpt #: 89 total cpu time spent up to now is 42.0 secs Computing kpt #: 90 total cpu time spent up to now is 42.4 secs Computing kpt #: 91 total cpu time spent up to now is 42.8 secs Computing kpt #: 92 total cpu time spent up to now is 43.3 secs Computing kpt #: 93 total cpu time spent up to now is 43.6 secs Computing kpt #: 94 total cpu time spent up to now is 44.0 secs Computing kpt #: 95 total cpu time spent up to now is 44.4 secs Computing kpt #: 96 total cpu time spent up to now is 44.8 secs Computing kpt #: 97 total cpu time spent up to now is 45.2 secs Computing kpt #: 98 total cpu time spent up to now is 45.6 secs Computing kpt #: 99 total cpu time spent up to now is 45.9 secs Computing kpt #: 100 total cpu time spent up to now is 46.3 secs Computing kpt #: 101 total cpu time spent up to now is 46.7 secs Computing kpt #: 102 total cpu time spent up to now is 47.1 secs Computing kpt #: 103 total cpu time spent up to now is 47.4 secs Computing kpt #: 104 total cpu time spent up to now is 47.8 secs Computing kpt #: 105 total cpu time spent up to now is 48.2 secs Computing kpt #: 106 total cpu time spent up to now is 48.6 secs Computing kpt #: 107 total cpu time spent up to now is 49.1 secs Computing kpt #: 108 total cpu time spent up to now is 49.6 secs Computing kpt #: 109 total cpu time spent up to now is 50.1 secs Computing kpt #: 110 total cpu time spent up to now is 50.6 secs Computing kpt #: 111 total cpu time spent up to now is 51.1 secs Computing kpt #: 112 total cpu time spent up to now is 51.6 secs Computing kpt #: 113 total cpu time spent up to now is 52.0 secs Computing kpt #: 114 total cpu time spent up to now is 52.4 secs Computing kpt #: 115 total cpu time spent up to now is 52.8 secs Computing kpt #: 116 total cpu time spent up to now is 53.2 secs Computing kpt #: 117 total cpu time spent up to now is 53.6 secs Computing kpt #: 118 total cpu time spent up to now is 54.0 secs Computing kpt #: 119 total cpu time spent up to now is 54.4 secs Computing kpt #: 120 total cpu time spent up to now is 54.8 secs Computing kpt #: 121 total cpu time spent up to now is 55.3 secs Computing kpt #: 122 total cpu time spent up to now is 55.8 secs Computing kpt #: 123 total cpu time spent up to now is 56.3 secs Computing kpt #: 124 total cpu time spent up to now is 56.8 secs Computing kpt #: 125 total cpu time spent up to now is 57.3 secs Computing kpt #: 126 total cpu time spent up to now is 57.9 secs Computing kpt #: 127 total cpu time spent up to now is 58.3 secs Computing kpt #: 128 total cpu time spent up to now is 58.7 secs Computing kpt #: 129 total cpu time spent up to now is 59.1 secs Computing kpt #: 130 total cpu time spent up to now is 59.5 secs Computing kpt #: 131 total cpu time spent up to now is 59.9 secs Computing kpt #: 132 total cpu time spent up to now is 60.4 secs Computing kpt #: 133 total cpu time spent up to now is 60.8 secs Computing kpt #: 134 total cpu time spent up to now is 61.2 secs Computing kpt #: 135 total cpu time spent up to now is 61.6 secs Computing kpt #: 136 total cpu time spent up to now is 62.0 secs Computing kpt #: 137 total cpu time spent up to now is 62.4 secs Computing kpt #: 138 total cpu time spent up to now is 62.8 secs Computing kpt #: 139 total cpu time spent up to now is 63.3 secs Computing kpt #: 140 total cpu time spent up to now is 63.7 secs Computing kpt #: 141 total cpu time spent up to now is 64.2 secs Computing kpt #: 142 total cpu time spent up to now is 64.6 secs Computing kpt #: 143 total cpu time spent up to now is 65.0 secs Computing kpt #: 144 total cpu time spent up to now is 65.4 secs Computing kpt #: 145 total cpu time spent up to now is 65.9 secs Computing kpt #: 146 total cpu time spent up to now is 66.3 secs Computing kpt #: 147 total cpu time spent up to now is 66.7 secs Computing kpt #: 148 total cpu time spent up to now is 67.6 secs Computing kpt #: 149 total cpu time spent up to now is 68.3 secs Computing kpt #: 150 total cpu time spent up to now is 68.8 secs Computing kpt #: 151 total cpu time spent up to now is 69.5 secs Computing kpt #: 152 total cpu time spent up to now is 70.0 secs Computing kpt #: 153 total cpu time spent up to now is 70.5 secs Computing kpt #: 154 total cpu time spent up to now is 71.0 secs Computing kpt #: 155 total cpu time spent up to now is 71.5 secs Computing kpt #: 156 total cpu time spent up to now is 72.0 secs Computing kpt #: 157 total cpu time spent up to now is 72.5 secs Computing kpt #: 158 total cpu time spent up to now is 73.0 secs Computing kpt #: 159 total cpu time spent up to now is 73.4 secs Computing kpt #: 160 total cpu time spent up to now is 73.8 secs Computing kpt #: 161 total cpu time spent up to now is 74.3 secs Computing kpt #: 162 total cpu time spent up to now is 74.7 secs Computing kpt #: 163 total cpu time spent up to now is 75.2 secs Computing kpt #: 164 total cpu time spent up to now is 75.6 secs Computing kpt #: 165 total cpu time spent up to now is 76.1 secs Computing kpt #: 166 total cpu time spent up to now is 76.5 secs Computing kpt #: 167 total cpu time spent up to now is 77.0 secs Computing kpt #: 168 total cpu time spent up to now is 77.5 secs Computing kpt #: 169 total cpu time spent up to now is 78.0 secs Computing kpt #: 170 total cpu time spent up to now is 78.5 secs Computing kpt #: 171 total cpu time spent up to now is 79.1 secs Computing kpt #: 172 total cpu time spent up to now is 79.7 secs Computing kpt #: 173 total cpu time spent up to now is 80.1 secs Computing kpt #: 174 total cpu time spent up to now is 80.5 secs Computing kpt #: 175 total cpu time spent up to now is 81.0 secs Computing kpt #: 176 total cpu time spent up to now is 81.5 secs Computing kpt #: 177 total cpu time spent up to now is 81.9 secs Computing kpt #: 178 total cpu time spent up to now is 82.3 secs Computing kpt #: 179 total cpu time spent up to now is 82.9 secs Computing kpt #: 180 total cpu time spent up to now is 83.4 secs Computing kpt #: 181 total cpu time spent up to now is 83.9 secs Computing kpt #: 182 total cpu time spent up to now is 84.4 secs Computing kpt #: 183 total cpu time spent up to now is 85.0 secs Computing kpt #: 184 total cpu time spent up to now is 85.6 secs Computing kpt #: 185 total cpu time spent up to now is 86.1 secs Computing kpt #: 186 total cpu time spent up to now is 86.6 secs Computing kpt #: 187 total cpu time spent up to now is 87.2 secs Computing kpt #: 188 total cpu time spent up to now is 87.7 secs Computing kpt #: 189 total cpu time spent up to now is 88.2 secs Computing kpt #: 190 total cpu time spent up to now is 88.7 secs Computing kpt #: 191 total cpu time spent up to now is 89.3 secs Computing kpt #: 192 total cpu time spent up to now is 89.8 secs Computing kpt #: 193 total cpu time spent up to now is 90.3 secs Computing kpt #: 194 total cpu time spent up to now is 90.8 secs Computing kpt #: 195 total cpu time spent up to now is 91.4 secs Computing kpt #: 196 total cpu time spent up to now is 91.9 secs Computing kpt #: 197 total cpu time spent up to now is 92.4 secs Computing kpt #: 198 total cpu time spent up to now is 92.9 secs Computing kpt #: 199 total cpu time spent up to now is 93.4 secs Computing kpt #: 200 total cpu time spent up to now is 94.0 secs Computing kpt #: 201 total cpu time spent up to now is 94.5 secs Computing kpt #: 202 total cpu time spent up to now is 94.9 secs Computing kpt #: 203 total cpu time spent up to now is 95.3 secs Computing kpt #: 204 total cpu time spent up to now is 95.7 secs Computing kpt #: 205 total cpu time spent up to now is 96.1 secs Computing kpt #: 206 total cpu time spent up to now is 96.6 secs Computing kpt #: 207 total cpu time spent up to now is 97.1 secs Computing kpt #: 208 total cpu time spent up to now is 97.6 secs Computing kpt #: 209 total cpu time spent up to now is 98.0 secs Computing kpt #: 210 total cpu time spent up to now is 98.4 secs Computing kpt #: 211 total cpu time spent up to now is 98.8 secs Computing kpt #: 212 total cpu time spent up to now is 99.3 secs Computing kpt #: 213 total cpu time spent up to now is 99.7 secs Computing kpt #: 214 total cpu time spent up to now is 100.1 secs Computing kpt #: 215 total cpu time spent up to now is 100.5 secs Computing kpt #: 216 total cpu time spent up to now is 100.9 secs Computing kpt #: 217 total cpu time spent up to now is 101.3 secs Computing kpt #: 218 total cpu time spent up to now is 101.7 secs Computing kpt #: 219 total cpu time spent up to now is 102.1 secs Computing kpt #: 220 total cpu time spent up to now is 102.4 secs Computing kpt #: 221 total cpu time spent up to now is 102.8 secs Computing kpt #: 222 total cpu time spent up to now is 103.2 secs Computing kpt #: 223 total cpu time spent up to now is 103.6 secs Computing kpt #: 224 total cpu time spent up to now is 104.0 secs Computing kpt #: 225 total cpu time spent up to now is 104.4 secs Computing kpt #: 226 total cpu time spent up to now is 104.8 secs Computing kpt #: 227 total cpu time spent up to now is 105.2 secs Computing kpt #: 228 total cpu time spent up to now is 105.6 secs Computing kpt #: 229 total cpu time spent up to now is 106.0 secs Computing kpt #: 230 total cpu time spent up to now is 106.3 secs Computing kpt #: 231 total cpu time spent up to now is 106.7 secs Computing kpt #: 232 total cpu time spent up to now is 107.1 secs Computing kpt #: 233 total cpu time spent up to now is 107.5 secs Computing kpt #: 234 total cpu time spent up to now is 107.9 secs Computing kpt #: 235 total cpu time spent up to now is 108.3 secs Computing kpt #: 236 total cpu time spent up to now is 108.7 secs Computing kpt #: 237 total cpu time spent up to now is 109.1 secs Computing kpt #: 238 total cpu time spent up to now is 109.5 secs Computing kpt #: 239 total cpu time spent up to now is 109.9 secs Computing kpt #: 240 total cpu time spent up to now is 110.3 secs Computing kpt #: 241 total cpu time spent up to now is 110.7 secs Computing kpt #: 242 total cpu time spent up to now is 111.1 secs Computing kpt #: 243 total cpu time spent up to now is 111.6 secs Computing kpt #: 244 total cpu time spent up to now is 112.0 secs Computing kpt #: 245 total cpu time spent up to now is 112.4 secs Computing kpt #: 246 total cpu time spent up to now is 112.8 secs Computing kpt #: 247 total cpu time spent up to now is 113.3 secs Computing kpt #: 248 total cpu time spent up to now is 113.8 secs Computing kpt #: 249 total cpu time spent up to now is 114.2 secs Computing kpt #: 250 total cpu time spent up to now is 114.8 secs Computing kpt #: 251 total cpu time spent up to now is 115.3 secs Computing kpt #: 252 total cpu time spent up to now is 115.9 secs Computing kpt #: 253 total cpu time spent up to now is 116.4 secs Computing kpt #: 254 total cpu time spent up to now is 116.9 secs Computing kpt #: 255 total cpu time spent up to now is 117.4 secs Computing kpt #: 256 total cpu time spent up to now is 118.0 secs Computing kpt #: 257 total cpu time spent up to now is 118.5 secs Computing kpt #: 258 total cpu time spent up to now is 119.0 secs Computing kpt #: 259 total cpu time spent up to now is 119.5 secs Computing kpt #: 260 total cpu time spent up to now is 119.9 secs Computing kpt #: 261 total cpu time spent up to now is 120.4 secs Computing kpt #: 262 total cpu time spent up to now is 120.8 secs Computing kpt #: 263 total cpu time spent up to now is 121.2 secs Computing kpt #: 264 total cpu time spent up to now is 121.7 secs Computing kpt #: 265 total cpu time spent up to now is 122.2 secs Computing kpt #: 266 total cpu time spent up to now is 122.7 secs Computing kpt #: 267 total cpu time spent up to now is 123.2 secs Computing kpt #: 268 total cpu time spent up to now is 123.7 secs Computing kpt #: 269 total cpu time spent up to now is 124.2 secs Computing kpt #: 270 total cpu time spent up to now is 124.7 secs Computing kpt #: 271 total cpu time spent up to now is 125.2 secs Computing kpt #: 272 total cpu time spent up to now is 125.7 secs Computing kpt #: 273 total cpu time spent up to now is 126.2 secs Computing kpt #: 274 total cpu time spent up to now is 126.7 secs Computing kpt #: 275 total cpu time spent up to now is 127.1 secs Computing kpt #: 276 total cpu time spent up to now is 127.6 secs Computing kpt #: 277 total cpu time spent up to now is 128.0 secs Computing kpt #: 278 total cpu time spent up to now is 128.4 secs Computing kpt #: 279 total cpu time spent up to now is 128.8 secs Computing kpt #: 280 total cpu time spent up to now is 129.2 secs Computing kpt #: 281 total cpu time spent up to now is 129.6 secs Computing kpt #: 282 total cpu time spent up to now is 130.0 secs Computing kpt #: 283 total cpu time spent up to now is 130.4 secs Computing kpt #: 284 total cpu time spent up to now is 130.8 secs Computing kpt #: 285 total cpu time spent up to now is 131.2 secs Computing kpt #: 286 total cpu time spent up to now is 131.6 secs Computing kpt #: 287 total cpu time spent up to now is 132.0 secs Computing kpt #: 288 total cpu time spent up to now is 132.4 secs Computing kpt #: 289 total cpu time spent up to now is 132.7 secs Computing kpt #: 290 total cpu time spent up to now is 133.1 secs Computing kpt #: 291 total cpu time spent up to now is 133.5 secs Computing kpt #: 292 total cpu time spent up to now is 133.9 secs Computing kpt #: 293 total cpu time spent up to now is 134.3 secs Computing kpt #: 294 total cpu time spent up to now is 134.7 secs Computing kpt #: 295 total cpu time spent up to now is 135.1 secs Computing kpt #: 296 total cpu time spent up to now is 135.4 secs Computing kpt #: 297 total cpu time spent up to now is 135.8 secs Computing kpt #: 298 total cpu time spent up to now is 136.2 secs Computing kpt #: 299 total cpu time spent up to now is 136.6 secs Computing kpt #: 300 total cpu time spent up to now is 137.0 secs Computing kpt #: 301 total cpu time spent up to now is 137.4 secs Computing kpt #: 302 total cpu time spent up to now is 137.7 secs Computing kpt #: 303 total cpu time spent up to now is 138.1 secs Computing kpt #: 304 total cpu time spent up to now is 138.5 secs Computing kpt #: 305 total cpu time spent up to now is 138.9 secs Computing kpt #: 306 total cpu time spent up to now is 139.3 secs Computing kpt #: 307 total cpu time spent up to now is 139.6 secs Computing kpt #: 308 total cpu time spent up to now is 140.0 secs Computing kpt #: 309 total cpu time spent up to now is 140.4 secs Computing kpt #: 310 total cpu time spent up to now is 140.8 secs Computing kpt #: 311 total cpu time spent up to now is 141.1 secs Computing kpt #: 312 total cpu time spent up to now is 141.5 secs Computing kpt #: 313 total cpu time spent up to now is 141.9 secs Computing kpt #: 314 total cpu time spent up to now is 142.3 secs Computing kpt #: 315 total cpu time spent up to now is 142.6 secs Computing kpt #: 316 total cpu time spent up to now is 143.0 secs Computing kpt #: 317 total cpu time spent up to now is 143.4 secs Computing kpt #: 318 total cpu time spent up to now is 143.8 secs Computing kpt #: 319 total cpu time spent up to now is 144.2 secs Computing kpt #: 320 total cpu time spent up to now is 144.6 secs Computing kpt #: 321 total cpu time spent up to now is 144.9 secs Computing kpt #: 322 total cpu time spent up to now is 145.3 secs Computing kpt #: 323 total cpu time spent up to now is 145.7 secs Computing kpt #: 324 total cpu time spent up to now is 146.1 secs Computing kpt #: 325 total cpu time spent up to now is 146.7 secs Computing kpt #: 326 total cpu time spent up to now is 147.2 secs Computing kpt #: 327 total cpu time spent up to now is 147.8 secs Computing kpt #: 328 total cpu time spent up to now is 148.4 secs Computing kpt #: 329 total cpu time spent up to now is 148.9 secs Computing kpt #: 330 total cpu time spent up to now is 149.5 secs Computing kpt #: 331 total cpu time spent up to now is 150.1 secs Computing kpt #: 332 total cpu time spent up to now is 150.7 secs Computing kpt #: 333 total cpu time spent up to now is 151.2 secs Computing kpt #: 334 total cpu time spent up to now is 151.8 secs Computing kpt #: 335 total cpu time spent up to now is 152.3 secs Computing kpt #: 336 total cpu time spent up to now is 152.7 secs Computing kpt #: 337 total cpu time spent up to now is 153.2 secs Computing kpt #: 338 total cpu time spent up to now is 153.6 secs Computing kpt #: 339 total cpu time spent up to now is 154.0 secs Computing kpt #: 340 total cpu time spent up to now is 154.4 secs Computing kpt #: 341 total cpu time spent up to now is 154.8 secs Computing kpt #: 342 total cpu time spent up to now is 155.2 secs Computing kpt #: 343 total cpu time spent up to now is 155.6 secs Computing kpt #: 344 total cpu time spent up to now is 156.0 secs Computing kpt #: 345 total cpu time spent up to now is 156.4 secs Computing kpt #: 346 total cpu time spent up to now is 156.8 secs Computing kpt #: 347 total cpu time spent up to now is 157.2 secs Computing kpt #: 348 total cpu time spent up to now is 157.6 secs Computing kpt #: 349 total cpu time spent up to now is 158.0 secs Computing kpt #: 350 total cpu time spent up to now is 158.4 secs Computing kpt #: 351 total cpu time spent up to now is 158.8 secs Computing kpt #: 352 total cpu time spent up to now is 159.2 secs Computing kpt #: 353 total cpu time spent up to now is 159.6 secs Computing kpt #: 354 total cpu time spent up to now is 160.0 secs Computing kpt #: 355 total cpu time spent up to now is 160.3 secs Computing kpt #: 356 total cpu time spent up to now is 160.7 secs Computing kpt #: 357 total cpu time spent up to now is 161.1 secs Computing kpt #: 358 total cpu time spent up to now is 161.5 secs Computing kpt #: 359 total cpu time spent up to now is 161.8 secs Computing kpt #: 360 total cpu time spent up to now is 162.2 secs Computing kpt #: 361 total cpu time spent up to now is 162.6 secs Computing kpt #: 362 total cpu time spent up to now is 163.0 secs Computing kpt #: 363 total cpu time spent up to now is 163.3 secs Computing kpt #: 364 total cpu time spent up to now is 163.7 secs Computing kpt #: 365 total cpu time spent up to now is 164.1 secs Computing kpt #: 366 total cpu time spent up to now is 164.5 secs Computing kpt #: 367 total cpu time spent up to now is 164.9 secs Computing kpt #: 368 total cpu time spent up to now is 165.3 secs Computing kpt #: 369 total cpu time spent up to now is 165.7 secs Computing kpt #: 370 total cpu time spent up to now is 166.1 secs Computing kpt #: 371 total cpu time spent up to now is 166.5 secs ethr = 3.13E-08, avg # of iterations = 18.7 total cpu time spent up to now is 166.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5167 PWs) bands (ev): -89.1227 -89.1227 -89.1204 -89.1204 -88.8701 -88.8701 -88.8607 -88.8607 -88.8607 -88.8607 -51.3219 -51.3219 -25.6464 -25.6464 -18.0094 -18.0094 -17.8491 -17.8491 0.6393 0.6393 6.6571 6.6571 6.6709 6.6709 6.7555 6.7555 8.5480 8.5480 9.0535 9.0535 9.1062 9.1062 9.4543 9.4543 12.8854 12.8854 13.0826 13.0826 14.5819 14.5819 k = 0.0122 0.0070-0.0000 ( 5177 PWs) bands (ev): -89.1227 -89.1227 -89.1204 -89.1204 -88.8701 -88.8701 -88.8607 -88.8607 -88.8607 -88.8607 -51.3219 -51.3219 -25.6464 -25.6464 -18.0094 -18.0094 -17.8491 -17.8491 0.6407 0.6407 6.5652 6.5652 6.7067 6.7067 6.8133 6.8133 8.5478 8.5478 9.0251 9.0251 9.1291 9.1291 9.4575 9.4575 12.8850 12.8850 13.0819 13.0819 14.5868 14.5868 k = 0.0244 0.0141-0.0000 ( 5185 PWs) bands (ev): -89.1227 -89.1227 -89.1204 -89.1204 -88.8701 -88.8701 -88.8607 -88.8607 -88.8607 -88.8607 -51.3219 -51.3219 -25.6464 -25.6464 -18.0095 -18.0095 -17.8492 -17.8492 0.6449 0.6449 6.4579 6.4579 6.7130 6.7130 6.9193 6.9193 8.5474 8.5474 8.9758 8.9758 9.1624 9.1624 9.4669 9.4669 12.8835 12.8835 13.0801 13.0801 14.6014 14.6014 k = 0.0366 0.0211-0.0000 ( 5189 PWs) bands (ev): -89.1227 -89.1227 -89.1204 -89.1204 -88.8701 -88.8701 -88.8607 -88.8607 -88.8607 -88.8607 -51.3219 -51.3219 -25.6464 -25.6464 -18.0096 -18.0096 -17.8492 -17.8492 0.6519 0.6519 6.3500 6.3500 6.7164 6.7164 7.0319 7.0319 8.5465 8.5465 8.9202 8.9202 9.1925 9.1925 9.4819 9.4819 12.8807 12.8807 13.0771 13.0771 14.6254 14.6254 k = 0.0488 0.0282-0.0000 ( 5187 PWs) bands (ev): -89.1227 -89.1227 -89.1204 -89.1204 -88.8701 -88.8701 -88.8608 -88.8608 -88.8607 -88.8607 -51.3219 -51.3219 -25.6464 -25.6464 -18.0098 -18.0098 -17.8492 -17.8492 0.6617 0.6617 6.2429 6.2429 6.7200 6.7200 7.1464 7.1464 8.5450 8.5450 8.8606 8.8606 9.2188 9.2188 9.5015 9.5015 12.8763 12.8763 13.0732 13.0732 14.6585 14.6585 k = 0.0610 0.0352-0.0000 ( 5183 PWs) bands (ev): -89.1227 -89.1227 -89.1204 -89.1204 -88.8701 -88.8701 -88.8608 -88.8608 -88.8607 -88.8607 -51.3219 -51.3219 -25.6465 -25.6465 -18.0100 -18.0100 -17.8493 -17.8493 0.6742 0.6742 6.1368 6.1368 6.7243 6.7243 7.2614 7.2614 8.5422 8.5422 8.7990 8.7990 9.2420 9.2420 9.5246 9.5246 12.8698 12.8698 13.0683 13.0683 14.6998 14.6998 k = 0.0732 0.0422-0.0000 ( 5185 PWs) bands (ev): -89.1227 -89.1227 -89.1204 -89.1204 -88.8700 -88.8700 -88.8608 -88.8608 -88.8607 -88.8607 -51.3219 -51.3219 -25.6465 -25.6465 -18.0102 -18.0102 -17.8493 -17.8493 0.6896 0.6896 6.0320 6.0320 6.7294 6.7294 7.3760 7.3760 8.5369 8.5369 8.7378 8.7378 9.2631 9.2631 9.5501 9.5501 12.8607 12.8607 13.0624 13.0624 14.7486 14.7486 k = 0.0854 0.0493-0.0000 ( 5185 PWs) bands (ev): -89.1227 -89.1227 -89.1204 -89.1204 -88.8700 -88.8700 -88.8609 -88.8609 -88.8607 -88.8607 -51.3219 -51.3219 -25.6466 -25.6466 -18.0105 -18.0105 -17.8494 -17.8494 0.7077 0.7077 5.9283 5.9283 6.7353 6.7353 7.4889 7.4889 8.5266 8.5266 8.6814 8.6814 9.2829 9.2829 9.5771 9.5771 12.8488 12.8488 13.0550 13.0550 14.8040 14.8040 k = 0.0976 0.0563-0.0000 ( 5169 PWs) bands (ev): -89.1227 -89.1227 -89.1204 -89.1204 -88.8700 -88.8700 -88.8609 -88.8609 -88.8607 -88.8607 -51.3219 -51.3219 -25.6466 -25.6466 -18.0109 -18.0109 -17.8494 -17.8494 0.7285 0.7285 5.8260 5.8260 6.7419 6.7419 7.5979 7.5979 8.5064 8.5064 8.6370 8.6370 9.3024 9.3024 9.6051 9.6051 12.8339 12.8339 13.0455 13.0455 14.8576 14.8576 k = 0.1098 0.0634-0.0000 ( 5165 PWs) bands (ev): -89.1226 -89.1226 -89.1204 -89.1204 -88.8699 -88.8699 -88.8610 -88.8610 -88.8607 -88.8607 -51.3219 -51.3219 -25.6467 -25.6467 -18.0113 -18.0113 -17.8495 -17.8495 0.7521 0.7521 5.7248 5.7248 6.7493 6.7493 7.6991 7.6991 8.4749 8.4749 8.6104 8.6104 9.3219 9.3219 9.6337 9.6337 12.8162 12.8162 13.0327 13.0327 14.7664 14.7664 k = 0.1220 0.0704-0.0000 ( 5161 PWs) bands (ev): -89.1226 -89.1226 -89.1204 -89.1204 -88.8698 -88.8698 -88.8610 -88.8610 -88.8607 -88.8607 -51.3219 -51.3219 -25.6467 -25.6467 -18.0117 -18.0117 -17.8496 -17.8496 0.7784 0.7784 5.6248 5.6248 6.7575 6.7575 7.7854 7.7854 8.4433 8.4433 8.5978 8.5978 9.3420 9.3420 9.6628 9.6628 12.7957 12.7957 13.0154 13.0154 14.6864 14.6864 k = 0.1341 0.0774-0.0000 ( 5161 PWs) bands (ev): -89.1226 -89.1226 -89.1205 -89.1205 -88.8698 -88.8698 -88.8611 -88.8611 -88.8607 -88.8607 -51.3219 -51.3219 -25.6468 -25.6468 -18.0121 -18.0121 -17.8497 -17.8497 0.8075 0.8075 5.5259 5.5259 6.7662 6.7662 7.8453 7.8453 8.4300 8.4300 8.5926 8.5926 9.3629 9.3629 9.6924 9.6924 12.7728 12.7728 12.9923 12.9923 14.6194 14.6194 k = 0.1463 0.0845-0.0000 ( 5153 PWs) bands (ev): -89.1226 -89.1226 -89.1205 -89.1205 -88.8697 -88.8697 -88.8611 -88.8611 -88.8607 -88.8607 -51.3219 -51.3219 -25.6469 -25.6469 -18.0126 -18.0126 -17.8498 -17.8498 0.8391 0.8391 5.4281 5.4281 6.7756 6.7756 7.8665 7.8665 8.4512 8.4512 8.5911 8.5911 9.3848 9.3848 9.7228 9.7228 12.7476 12.7476 12.9623 12.9623 14.5665 14.5665 k = 0.1585 0.0915-0.0000 ( 5149 PWs) bands (ev): -89.1226 -89.1226 -89.1205 -89.1205 -88.8696 -88.8696 -88.8612 -88.8612 -88.8607 -88.8607 -51.3219 -51.3219 -25.6470 -25.6470 -18.0131 -18.0131 -17.8499 -17.8499 0.8735 0.8735 5.3312 5.3312 6.7854 6.7854 7.8478 7.8478 8.5094 8.5094 8.5920 8.5920 9.4078 9.4078 9.7542 9.7542 12.7205 12.7205 12.9247 12.9247 14.5287 14.5287 k = 0.1707 0.0986-0.0000 ( 5151 PWs) bands (ev): -89.1226 -89.1226 -89.1205 -89.1205 -88.8696 -88.8696 -88.8613 -88.8613 -88.8607 -88.8607 -51.3219 -51.3219 -25.6471 -25.6471 -18.0137 -18.0137 -17.8500 -17.8500 0.9105 0.9105 5.2352 5.2352 6.7958 6.7958 7.8000 7.8000 8.5833 8.5833 8.6060 8.6060 9.4321 9.4321 9.7872 9.7872 12.6914 12.6914 12.8796 12.8796 14.5061 14.5061 k = 0.1829 0.1056-0.0000 ( 5149 PWs) bands (ev): -89.1225 -89.1225 -89.1205 -89.1205 -88.8695 -88.8695 -88.8614 -88.8614 -88.8607 -88.8607 -51.3219 -51.3219 -25.6472 -25.6472 -18.0142 -18.0142 -17.8501 -17.8501 0.9500 0.9500 5.1401 5.1401 6.8065 6.8065 7.7350 7.7350 8.5935 8.5935 8.7003 8.7003 9.4577 9.4577 9.8224 9.8224 12.6603 12.6603 12.8278 12.8278 14.4985 14.4985 k = 0.1951 0.1127-0.0000 ( 5147 PWs) bands (ev): -89.1225 -89.1225 -89.1205 -89.1205 -88.8694 -88.8694 -88.8615 -88.8615 -88.8607 -88.8607 -51.3219 -51.3219 -25.6472 -25.6472 -18.0148 -18.0148 -17.8503 -17.8503 0.9922 0.9922 5.0457 5.0457 6.8175 6.8175 7.6606 7.6606 8.5975 8.5975 8.8093 8.8093 9.4845 9.4845 9.8606 9.8606 12.6265 12.6265 12.7709 12.7709 14.5048 14.5048 k = 0.2073 0.1197-0.0000 ( 5141 PWs) bands (ev): -89.1225 -89.1225 -89.1206 -89.1206 -88.8693 -88.8693 -88.8616 -88.8616 -88.8607 -88.8607 -51.3219 -51.3219 -25.6473 -25.6473 -18.0154 -18.0154 -17.8504 -17.8504 1.0369 1.0369 4.9519 4.9519 6.8288 6.8288 7.5811 7.5811 8.6017 8.6017 8.9214 8.9214 9.5125 9.5125 9.9031 9.9031 12.5885 12.5885 12.7118 12.7118 14.5239 14.5239 k = 0.2195 0.1267-0.0000 ( 5143 PWs) bands (ev): -89.1225 -89.1225 -89.1206 -89.1206 -88.8692 -88.8692 -88.8617 -88.8617 -88.8607 -88.8607 -51.3219 -51.3219 -25.6474 -25.6474 -18.0160 -18.0160 -17.8505 -17.8505 1.0841 1.0841 4.8586 4.8586 6.8401 6.8401 7.4993 7.4993 8.6065 8.6065 9.0326 9.0326 9.5418 9.5418 9.9512 9.9512 12.5433 12.5433 12.6553 12.6553 14.5544 14.5544 k = 0.2317 0.1338-0.0000 ( 5139 PWs) bands (ev): -89.1224 -89.1224 -89.1206 -89.1206 -88.8691 -88.8691 -88.8618 -88.8618 -88.8607 -88.8607 -51.3219 -51.3219 -25.6475 -25.6475 -18.0166 -18.0166 -17.8506 -17.8506 1.1338 1.1338 4.7658 4.7658 6.8513 6.8513 7.4168 7.4168 8.6118 8.6118 9.1399 9.1399 9.5722 9.5722 10.0068 10.0068 12.4876 12.4876 12.6058 12.6058 14.5947 14.5947 k = 0.2439 0.1408-0.0000 ( 5139 PWs) bands (ev): -89.1224 -89.1224 -89.1206 -89.1206 -88.8690 -88.8690 -88.8619 -88.8619 -88.8607 -88.8607 -51.3219 -51.3219 -25.6476 -25.6476 -18.0172 -18.0172 -17.8508 -17.8508 1.1858 1.1858 4.6733 4.6733 6.8623 6.8623 7.3349 7.3349 8.6176 8.6176 9.2407 9.2407 9.6036 9.6036 10.0717 10.0717 12.4219 12.4219 12.5645 12.5645 14.6436 14.6436 k = 0.2561 0.1479-0.0000 ( 5135 PWs) bands (ev): -89.1224 -89.1224 -89.1207 -89.1207 -88.8689 -88.8689 -88.8620 -88.8620 -88.8607 -88.8607 -51.3218 -51.3218 -25.6477 -25.6477 -18.0179 -18.0179 -17.8509 -17.8509 1.2403 1.2403 4.5811 4.5811 6.8728 6.8728 7.2546 7.2546 8.6239 8.6239 9.3324 9.3324 9.6360 9.6360 10.1478 10.1478 12.3497 12.3497 12.5290 12.5290 14.6996 14.6996 k = 0.2683 0.1549-0.0000 ( 5147 PWs) bands (ev): -89.1224 -89.1224 -89.1207 -89.1207 -88.8688 -88.8688 -88.8621 -88.8621 -88.8607 -88.8607 -51.3218 -51.3218 -25.6479 -25.6479 -18.0185 -18.0185 -17.8510 -17.8510 1.2972 1.2972 4.4891 4.4891 6.8820 6.8820 7.1771 7.1771 8.6307 8.6307 9.4136 9.4136 9.6692 9.6692 10.2363 10.2363 12.2744 12.2744 12.4970 12.4970 14.7614 14.7614 k = 0.2805 0.1619-0.0000 ( 5151 PWs) bands (ev): -89.1223 -89.1223 -89.1207 -89.1207 -88.8687 -88.8687 -88.8622 -88.8622 -88.8607 -88.8607 -51.3218 -51.3218 -25.6480 -25.6480 -18.0191 -18.0191 -17.8512 -17.8512 1.3563 1.3563 4.3972 4.3972 6.8888 6.8888 7.1040 7.1040 8.6380 8.6380 9.4838 9.4838 9.7030 9.7030 10.3375 10.3375 12.1980 12.1980 12.4675 12.4675 14.8275 14.8275 k = 0.2927 0.1690-0.0000 ( 5151 PWs) bands (ev): -89.1223 -89.1223 -89.1208 -89.1208 -88.8686 -88.8686 -88.8623 -88.8623 -88.8607 -88.8607 -51.3218 -51.3218 -25.6481 -25.6481 -18.0197 -18.0197 -17.8513 -17.8513 1.4176 1.4176 4.3054 4.3054 6.8896 6.8896 7.0394 7.0394 8.6456 8.6456 9.5434 9.5434 9.7371 9.7371 10.4507 10.4507 12.1220 12.1220 12.4398 12.4398 14.8950 14.8950 k = 0.3049 0.1760-0.0000 ( 5147 PWs) bands (ev): -89.1223 -89.1223 -89.1208 -89.1208 -88.8684 -88.8684 -88.8624 -88.8624 -88.8607 -88.8607 -51.3218 -51.3218 -25.6482 -25.6482 -18.0203 -18.0203 -17.8514 -17.8514 1.4812 1.4812 4.2135 4.2135 6.8749 6.8749 6.9931 6.9931 8.6536 8.6536 9.5938 9.5938 9.7714 9.7714 10.5745 10.5745 12.0474 12.0474 12.4136 12.4136 14.9538 14.9538 k = 0.3171 0.1831-0.0000 ( 5135 PWs) bands (ev): -89.1222 -89.1222 -89.1208 -89.1208 -88.8683 -88.8683 -88.8625 -88.8625 -88.8607 -88.8607 -51.3218 -51.3218 -25.6483 -25.6483 -18.0209 -18.0209 -17.8515 -17.8515 1.5468 1.5468 4.1216 4.1216 6.8355 6.8355 6.9743 6.9743 8.6619 8.6619 9.6364 9.6364 9.8056 9.8056 10.7069 10.7069 11.9747 11.9747 12.3889 12.3889 14.9552 14.9552 k = 0.3293 0.1901-0.0000 ( 5135 PWs) bands (ev): -89.1222 -89.1222 -89.1208 -89.1208 -88.8682 -88.8682 -88.8627 -88.8627 -88.8607 -88.8607 -51.3218 -51.3218 -25.6483 -25.6483 -18.0215 -18.0215 -17.8516 -17.8516 1.6146 1.6146 4.0296 4.0296 6.7820 6.7820 6.9728 6.9728 8.6703 8.6703 9.6727 9.6727 9.8396 9.8396 10.8465 10.8465 11.9046 11.9046 12.3656 12.3656 14.8865 14.8865 k = 0.3415 0.1971-0.0000 ( 5139 PWs) bands (ev): -89.1222 -89.1222 -89.1209 -89.1209 -88.8681 -88.8681 -88.8628 -88.8628 -88.8607 -88.8607 -51.3218 -51.3218 -25.6484 -25.6484 -18.0220 -18.0220 -17.8517 -17.8517 1.6843 1.6843 3.9375 3.9375 6.7256 6.7256 6.9775 6.9775 8.6789 8.6789 9.7038 9.7038 9.8730 9.8730 10.9917 10.9917 11.8377 11.8377 12.3438 12.3438 14.7966 14.7966 k = 0.3537 0.2042-0.0000 ( 5131 PWs) bands (ev): -89.1222 -89.1222 -89.1209 -89.1209 -88.8680 -88.8680 -88.8629 -88.8629 -88.8607 -88.8607 -51.3218 -51.3218 -25.6485 -25.6485 -18.0225 -18.0225 -17.8518 -17.8518 1.7560 1.7560 3.8453 3.8453 6.6705 6.6705 6.9843 6.9843 8.6875 8.6875 9.7307 9.7307 9.9058 9.9058 11.1412 11.1412 11.7744 11.7744 12.3235 12.3235 14.6970 14.6970 k = 0.3659 0.2112-0.0000 ( 5135 PWs) bands (ev): -89.1221 -89.1221 -89.1209 -89.1209 -88.8678 -88.8678 -88.8630 -88.8630 -88.8607 -88.8607 -51.3218 -51.3218 -25.6486 -25.6486 -18.0230 -18.0230 -17.8519 -17.8519 1.8296 1.8296 3.7530 3.7530 6.6184 6.6184 6.9918 6.9918 8.6961 8.6961 9.7541 9.7541 9.9376 9.9376 11.2938 11.2938 11.7154 11.7154 12.3046 12.3046 14.5901 14.5901 k = 0.3780 0.2183-0.0000 ( 5140 PWs) bands (ev): -89.1221 -89.1221 -89.1210 -89.1210 -88.8677 -88.8677 -88.8631 -88.8631 -88.8607 -88.8607 -51.3218 -51.3218 -25.6487 -25.6487 -18.0235 -18.0235 -17.8520 -17.8520 1.9049 1.9049 3.6607 3.6607 6.5699 6.5699 6.9993 6.9993 8.7044 8.7044 9.7745 9.7745 9.9681 9.9681 11.4472 11.4472 11.6624 11.6624 12.2873 12.2873 14.4767 14.4767 k = 0.3902 0.2253-0.0000 ( 5136 PWs) bands (ev): -89.1221 -89.1221 -89.1210 -89.1210 -88.8676 -88.8676 -88.8633 -88.8633 -88.8607 -88.8607 -51.3218 -51.3218 -25.6487 -25.6487 -18.0239 -18.0239 -17.8521 -17.8521 1.9819 1.9819 3.5683 3.5683 6.5255 6.5255 7.0064 7.0064 8.7125 8.7125 9.7922 9.7922 9.9971 9.9971 11.5728 11.5728 11.6436 11.6436 12.2716 12.2716 14.3575 14.3575 k = 0.4024 0.2323-0.0000 ( 5136 PWs) bands (ev): -89.1220 -89.1220 -89.1210 -89.1210 -88.8675 -88.8675 -88.8634 -88.8634 -88.8607 -88.8607 -51.3218 -51.3218 -25.6488 -25.6488 -18.0243 -18.0243 -17.8522 -17.8522 2.0606 2.0606 3.4760 3.4760 6.4854 6.4854 7.0131 7.0131 8.7201 8.7201 9.8076 9.8076 10.0242 10.0242 11.5524 11.5524 11.7770 11.7770 12.2574 12.2574 14.2328 14.2328 k = 0.4146 0.2394-0.0000 ( 5136 PWs) bands (ev): -89.1220 -89.1220 -89.1210 -89.1210 -88.8674 -88.8674 -88.8635 -88.8635 -88.8607 -88.8607 -51.3218 -51.3218 -25.6489 -25.6489 -18.0246 -18.0246 -17.8523 -17.8523 2.1407 2.1407 3.3838 3.3838 6.4498 6.4498 7.0192 7.0192 8.7272 8.7272 9.8209 9.8209 10.0491 10.0491 11.5130 11.5130 11.9351 11.9351 12.2451 12.2451 14.1031 14.1031 k = 0.4268 0.2464-0.0000 ( 5130 PWs) bands (ev): -89.1220 -89.1220 -89.1211 -89.1211 -88.8673 -88.8673 -88.8636 -88.8636 -88.8607 -88.8607 -51.3218 -51.3218 -25.6489 -25.6489 -18.0249 -18.0249 -17.8523 -17.8523 2.2222 2.2222 3.2918 3.2918 6.4187 6.4187 7.0247 7.0247 8.7337 8.7337 9.8322 9.8322 10.0714 10.0714 11.4771 11.4771 12.0948 12.0948 12.2349 12.2349 13.9687 13.9687 k = 0.4390 0.2535-0.0000 ( 5124 PWs) bands (ev): -89.1220 -89.1220 -89.1211 -89.1211 -88.8672 -88.8672 -88.8636 -88.8636 -88.8607 -88.8607 -51.3218 -51.3218 -25.6489 -25.6489 -18.0252 -18.0252 -17.8524 -17.8524 2.3050 2.3050 3.2003 3.2003 6.3923 6.3923 7.0293 7.0293 8.7394 8.7394 9.8416 9.8416 10.0909 10.0909 11.4460 11.4460 12.2186 12.2186 12.2628 12.2628 13.8303 13.8303 k = 0.4512 0.2605-0.0000 ( 5124 PWs) bands (ev): -89.1220 -89.1220 -89.1211 -89.1211 -88.8671 -88.8671 -88.8637 -88.8637 -88.8607 -88.8607 -51.3218 -51.3218 -25.6490 -25.6490 -18.0254 -18.0254 -17.8524 -17.8524 2.3888 2.3888 3.1093 3.1093 6.3706 6.3706 7.0332 7.0332 8.7442 8.7442 9.8492 9.8492 10.1073 10.1073 11.4201 11.4201 12.2154 12.2154 12.4188 12.4188 13.6884 13.6884 k = 0.4634 0.2676-0.0000 ( 5116 PWs) bands (ev): -89.1219 -89.1219 -89.1211 -89.1211 -88.8671 -88.8671 -88.8638 -88.8638 -88.8607 -88.8607 -51.3218 -51.3218 -25.6490 -25.6490 -18.0256 -18.0256 -17.8524 -17.8524 2.4732 2.4732 3.0192 3.0192 6.3537 6.3537 7.0363 7.0363 8.7481 8.7481 9.8551 9.8551 10.1204 10.1204 11.3998 11.3998 12.2099 12.2099 12.5770 12.5770 13.5441 13.5441 k = 0.4756 0.2746-0.0000 ( 5124 PWs) bands (ev): -89.1219 -89.1219 -89.1211 -89.1211 -88.8670 -88.8670 -88.8638 -88.8638 -88.8607 -88.8607 -51.3218 -51.3218 -25.6490 -25.6490 -18.0257 -18.0257 -17.8525 -17.8525 2.5575 2.5575 2.9310 2.9310 6.3416 6.3416 7.0385 7.0385 8.7509 8.7509 9.8593 9.8593 10.1298 10.1298 11.3852 11.3852 12.2058 12.2058 12.7316 12.7316 13.3996 13.3996 k = 0.4878 0.2816-0.0000 ( 5122 PWs) bands (ev): -89.1219 -89.1219 -89.1211 -89.1211 -88.8670 -88.8670 -88.8638 -88.8638 -88.8607 -88.8607 -51.3218 -51.3218 -25.6490 -25.6490 -18.0258 -18.0258 -17.8525 -17.8525 2.6381 2.6381 2.8480 2.8480 6.3344 6.3344 7.0398 7.0398 8.7526 8.7526 9.8617 9.8617 10.1355 10.1355 11.3764 11.3764 12.2033 12.2033 12.8746 12.8746 13.2627 13.2627 k = 0.5000 0.2887-0.0000 ( 5130 PWs) bands (ev): -89.1219 -89.1219 -89.1211 -89.1211 -88.8670 -88.8670 -88.8639 -88.8639 -88.8607 -88.8607 -51.3218 -51.3218 -25.6491 -25.6491 -18.0258 -18.0258 -17.8525 -17.8525 2.6874 2.6874 2.7979 2.7979 6.3320 6.3320 7.0402 7.0402 8.7531 8.7531 9.8626 9.8626 10.1375 10.1375 11.3735 11.3735 12.2025 12.2025 12.9560 12.9560 13.1834 13.1834 k = 0.5000 0.2887-0.0000 ( 5130 PWs) bands (ev): -89.1219 -89.1219 -89.1211 -89.1211 -88.8670 -88.8670 -88.8639 -88.8639 -88.8607 -88.8607 -51.3218 -51.3218 -25.6491 -25.6491 -18.0258 -18.0258 -17.8525 -17.8525 2.6874 2.6874 2.7979 2.7979 6.3320 6.3320 7.0402 7.0402 8.7531 8.7531 9.8626 9.8626 10.1375 10.1375 11.3735 11.3735 12.2025 12.2025 12.9560 12.9560 13.1834 13.1834 k = 0.4931 0.3007-0.0000 ( 5126 PWs) bands (ev): -89.1219 -89.1219 -89.1211 -89.1211 -88.8670 -88.8670 -88.8639 -88.8639 -88.8607 -88.8607 -51.3218 -51.3218 -25.6490 -25.6490 -18.0258 -18.0258 -17.8525 -17.8525 2.6889 2.6889 2.7987 2.7987 6.3069 6.3069 7.0654 7.0654 8.7544 8.7544 9.8625 9.8625 10.1360 10.1360 11.3561 11.3561 12.2223 12.2223 12.9547 12.9547 13.1856 13.1856 k = 0.4861 0.3127-0.0000 ( 5130 PWs) bands (ev): -89.1219 -89.1219 -89.1211 -89.1211 -88.8670 -88.8670 -88.8639 -88.8639 -88.8607 -88.8607 -51.3218 -51.3218 -25.6491 -25.6491 -18.0258 -18.0258 -17.8525 -17.8525 2.6933 2.6933 2.8011 2.8011 6.2404 6.2404 7.1325 7.1325 8.7583 8.7583 9.8623 9.8623 10.1317 10.1317 11.3084 11.3084 12.2774 12.2774 12.9507 12.9507 13.1919 13.1919 k = 0.4792 0.3248-0.0000 ( 5130 PWs) bands (ev): -89.1219 -89.1219 -89.1211 -89.1211 -88.8670 -88.8670 -88.8639 -88.8639 -88.8607 -88.8607 -51.3218 -51.3218 -25.6491 -25.6491 -18.0259 -18.0259 -17.8525 -17.8525 2.7007 2.7007 2.8050 2.8050 6.1479 6.1479 7.2258 7.2258 8.7647 8.7647 9.8619 9.8619 10.1246 10.1246 11.2393 11.2393 12.3589 12.3589 12.9447 12.9447 13.2022 13.2022 k = 0.4722 0.3368-0.0000 ( 5126 PWs) bands (ev): -89.1219 -89.1219 -89.1211 -89.1211 -88.8670 -88.8670 -88.8639 -88.8639 -88.8607 -88.8607 -51.3218 -51.3218 -25.6491 -25.6491 -18.0259 -18.0259 -17.8525 -17.8525 2.7110 2.7110 2.8107 2.8107 6.0409 6.0409 7.3340 7.3340 8.7738 8.7738 9.8613 9.8613 10.1148 10.1148 11.1571 11.1571 12.4582 12.4582 12.9370 12.9370 13.2163 13.2163 k = 0.4653 0.3488-0.0000 ( 5118 PWs) bands (ev): -89.1219 -89.1219 -89.1212 -89.1212 -88.8669 -88.8669 -88.8639 -88.8639 -88.8607 -88.8607 -51.3218 -51.3218 -25.6491 -25.6491 -18.0260 -18.0260 -17.8525 -17.8525 2.7239 2.7239 2.8181 2.8181 5.9259 5.9259 7.4503 7.4503 8.7853 8.7853 9.8602 9.8602 10.1024 10.1024 11.0675 11.0675 12.5695 12.5695 12.9284 12.9284 13.2338 13.2338 k = 0.4583 0.3608-0.0000 ( 5116 PWs) bands (ev): -89.1219 -89.1219 -89.1212 -89.1212 -88.8669 -88.8669 -88.8640 -88.8640 -88.8607 -88.8607 -51.3218 -51.3218 -25.6491 -25.6491 -18.0260 -18.0260 -17.8526 -17.8526 2.7395 2.7395 2.8273 2.8273 5.8066 5.8066 7.5710 7.5710 8.7995 8.7995 9.8586 9.8586 10.0875 10.0875 10.9741 10.9741 12.6888 12.6888 12.9204 12.9204 13.2543 13.2543 k = 0.4514 0.3729-0.0000 ( 5118 PWs) bands (ev): -89.1219 -89.1219 -89.1212 -89.1212 -88.8669 -88.8669 -88.8640 -88.8640 -88.8607 -88.8607 -51.3218 -51.3218 -25.6491 -25.6491 -18.0261 -18.0261 -17.8526 -17.8526 2.7573 2.7573 2.8387 2.8387 5.6850 5.6850 7.6942 7.6942 8.8162 8.8162 9.8562 9.8562 10.0704 10.0704 10.8791 10.8791 12.8104 12.8104 12.9169 12.9169 13.2775 13.2775 k = 0.4444 0.3849-0.0000 ( 5112 PWs) bands (ev): -89.1219 -89.1219 -89.1212 -89.1212 -88.8668 -88.8668 -88.8640 -88.8640 -88.8607 -88.8607 -51.3218 -51.3218 -25.6491 -25.6491 -18.0262 -18.0262 -17.8526 -17.8526 2.7770 2.7770 2.8526 2.8526 5.5624 5.5624 7.8183 7.8183 8.8355 8.8355 9.8530 9.8530 10.0511 10.0511 10.7837 10.7837 12.8845 12.8845 12.9671 12.9671 13.3027 13.3027 k = 0.4375 0.3969-0.0000 ( 5120 PWs) bands (ev): -89.1219 -89.1219 -89.1212 -89.1212 -88.8668 -88.8668 -88.8641 -88.8641 -88.8607 -88.8607 -51.3218 -51.3218 -25.6491 -25.6491 -18.0263 -18.0263 -17.8527 -17.8527 2.7979 2.7979 2.8694 2.8694 5.4396 5.4396 7.9426 7.9426 8.8574 8.8574 9.8485 9.8485 10.0300 10.0300 10.6889 10.6889 12.8876 12.8876 13.0943 13.0943 13.3296 13.3296 k = 0.4306 0.4090-0.0000 ( 5132 PWs) bands (ev): -89.1218 -89.1218 -89.1212 -89.1212 -88.8667 -88.8667 -88.8642 -88.8642 -88.8607 -88.8607 -51.3218 -51.3218 -25.6492 -25.6492 -18.0264 -18.0264 -17.8527 -17.8527 2.8195 2.8195 2.8896 2.8896 5.3172 5.3172 8.0661 8.0661 8.8818 8.8818 9.8427 9.8427 10.0072 10.0072 10.5952 10.5952 12.8860 12.8860 13.2323 13.2323 13.3577 13.3577 k = 0.4236 0.4210-0.0000 ( 5134 PWs) bands (ev): -89.1218 -89.1218 -89.1212 -89.1212 -88.8667 -88.8667 -88.8642 -88.8642 -88.8607 -88.8607 -51.3218 -51.3218 -25.6492 -25.6492 -18.0265 -18.0265 -17.8527 -17.8527 2.8411 2.8411 2.9139 2.9139 5.1958 5.1958 8.1886 8.1886 8.9087 8.9087 9.8352 9.8352 9.9829 9.9829 10.5031 10.5031 12.8864 12.8864 13.3687 13.3687 13.3920 13.3920 k = 0.4167 0.4330-0.0000 ( 5130 PWs) bands (ev): -89.1218 -89.1218 -89.1212 -89.1212 -88.8666 -88.8666 -88.8643 -88.8643 -88.8607 -88.8607 -51.3218 -51.3218 -25.6492 -25.6492 -18.0267 -18.0267 -17.8528 -17.8528 2.8624 2.8624 2.9421 2.9421 5.0756 5.0756 8.3093 8.3093 8.9382 8.9382 9.8258 9.8258 9.9573 9.9573 10.4128 10.4128 12.8904 12.8904 13.4110 13.4110 13.5227 13.5227 k = 0.4097 0.4450-0.0000 ( 5128 PWs) bands (ev): -89.1218 -89.1218 -89.1213 -89.1213 -88.8665 -88.8665 -88.8644 -88.8644 -88.8607 -88.8607 -51.3218 -51.3218 -25.6492 -25.6492 -18.0268 -18.0268 -17.8528 -17.8528 2.8836 2.8836 2.9741 2.9741 4.9573 4.9573 8.4279 8.4279 8.9702 8.9702 9.8143 9.8143 9.9307 9.9307 10.3247 10.3247 12.8986 12.8986 13.4376 13.4376 13.6706 13.6706 k = 0.4028 0.4571-0.0000 ( 5124 PWs) bands (ev): -89.1218 -89.1218 -89.1213 -89.1213 -88.8664 -88.8664 -88.8644 -88.8644 -88.8607 -88.8607 -51.3218 -51.3218 -25.6492 -25.6492 -18.0269 -18.0269 -17.8528 -17.8528 2.9050 2.9050 3.0091 3.0091 4.8411 4.8411 8.5439 8.5439 9.0048 9.0048 9.8003 9.8003 9.9031 9.9031 10.2387 10.2387 12.9117 12.9117 13.4615 13.4615 13.8210 13.8210 k = 0.3958 0.4691-0.0000 ( 5124 PWs) bands (ev): -89.1218 -89.1218 -89.1213 -89.1213 -88.8664 -88.8664 -88.8645 -88.8645 -88.8607 -88.8607 -51.3218 -51.3218 -25.6493 -25.6493 -18.0270 -18.0270 -17.8529 -17.8529 2.9268 2.9268 3.0465 3.0465 4.7277 4.7277 8.6570 8.6570 9.0418 9.0418 9.7838 9.7838 9.8748 9.8748 10.1551 10.1551 12.9300 12.9300 13.4820 13.4820 13.9734 13.9734 k = 0.3889 0.4811-0.0000 ( 5124 PWs) bands (ev): -89.1217 -89.1217 -89.1213 -89.1213 -88.8663 -88.8663 -88.8646 -88.8646 -88.8607 -88.8607 -51.3218 -51.3218 -25.6493 -25.6493 -18.0271 -18.0271 -17.8529 -17.8529 2.9492 2.9492 3.0854 3.0854 4.6177 4.6177 8.7666 8.7666 9.0814 9.0814 9.7646 9.7646 9.8460 9.8460 10.0741 10.0741 12.9537 12.9537 13.4981 13.4981 14.1274 14.1274 k = 0.3819 0.4932-0.0000 ( 5118 PWs) bands (ev): -89.1217 -89.1217 -89.1213 -89.1213 -88.8662 -88.8662 -88.8647 -88.8647 -88.8607 -88.8607 -51.3218 -51.3218 -25.6493 -25.6493 -18.0272 -18.0272 -17.8529 -17.8529 2.9724 2.9724 3.1250 3.1250 4.5120 4.5120 8.8723 8.8723 9.1236 9.1236 9.7427 9.7427 9.8168 9.8168 9.9958 9.9958 12.9830 12.9830 13.5087 13.5087 14.2827 14.2827 k = 0.3750 0.5052-0.0000 ( 5130 PWs) bands (ev): -89.1217 -89.1217 -89.1214 -89.1214 -88.8661 -88.8661 -88.8648 -88.8648 -88.8607 -88.8607 -51.3218 -51.3218 -25.6493 -25.6493 -18.0274 -18.0274 -17.8530 -17.8530 2.9964 2.9964 3.1640 3.1640 4.4117 4.4117 8.9734 8.9734 9.1685 9.1685 9.7180 9.7180 9.7871 9.7871 9.9204 9.9204 13.0178 13.0178 13.5127 13.5127 14.4386 14.4386 k = 0.3681 0.5172-0.0000 ( 5136 PWs) bands (ev): -89.1217 -89.1217 -89.1214 -89.1214 -88.8660 -88.8660 -88.8649 -88.8649 -88.8607 -88.8607 -51.3218 -51.3218 -25.6494 -25.6494 -18.0275 -18.0275 -17.8530 -17.8530 3.0210 3.0210 3.2009 3.2009 4.3186 4.3186 9.0688 9.0688 9.2164 9.2164 9.6910 9.6910 9.7568 9.7568 9.8485 9.8485 13.0579 13.0579 13.5090 13.5090 14.5945 14.5945 k = 0.3611 0.5292-0.0000 ( 5144 PWs) bands (ev): -89.1216 -89.1216 -89.1214 -89.1214 -88.8659 -88.8659 -88.8650 -88.8650 -88.8607 -88.8607 -51.3218 -51.3218 -25.6494 -25.6494 -18.0275 -18.0275 -17.8530 -17.8530 3.0461 3.0461 3.2336 3.2336 4.2350 4.2350 9.1567 9.1567 9.2679 9.2679 9.6622 9.6622 9.7246 9.7246 9.7815 9.7815 13.1028 13.1028 13.4966 13.4966 14.7488 14.7488 k = 0.3542 0.5413-0.0000 ( 5146 PWs) bands (ev): -89.1216 -89.1216 -89.1214 -89.1214 -88.8658 -88.8658 -88.8651 -88.8651 -88.8607 -88.8607 -51.3218 -51.3218 -25.6494 -25.6494 -18.0276 -18.0276 -17.8531 -17.8531 3.0710 3.0710 3.2595 3.2595 4.1641 4.1641 9.2336 9.2336 9.3247 9.3247 9.6331 9.6331 9.6855 9.6855 9.7251 9.7251 13.1518 13.1518 13.4751 13.4751 14.8982 14.8982 k = 0.3472 0.5533-0.0000 ( 5134 PWs) bands (ev): -89.1216 -89.1216 -89.1215 -89.1215 -88.8657 -88.8657 -88.8652 -88.8652 -88.8607 -88.8607 -51.3218 -51.3218 -25.6494 -25.6494 -18.0276 -18.0276 -17.8531 -17.8531 3.0945 3.0945 3.2760 3.2760 4.1099 4.1099 9.2949 9.2949 9.3872 9.3872 9.6057 9.6057 9.6342 9.6342 9.6863 9.6863 13.2034 13.2034 13.4444 13.4444 15.0330 15.0330 k = 0.3403 0.5653-0.0000 ( 5130 PWs) bands (ev): -89.1216 -89.1216 -89.1215 -89.1215 -88.8655 -88.8655 -88.8653 -88.8653 -88.8607 -88.8607 -51.3218 -51.3218 -25.6494 -25.6494 -18.0277 -18.0277 -17.8531 -17.8531 3.1138 3.1138 3.2821 3.2821 4.0759 4.0759 9.3361 9.3361 9.4515 9.4515 9.5704 9.5704 9.5956 9.5956 9.6586 9.6586 13.2535 13.2535 13.4076 13.4076 15.1264 15.1264 k = 0.3333 0.5774-0.0000 ( 5130 PWs) bands (ev): -89.1215 -89.1215 -89.1215 -89.1215 -88.8654 -88.8654 -88.8654 -88.8654 -88.8607 -88.8607 -51.3218 -51.3218 -25.6494 -25.6494 -18.0277 -18.0277 -17.8531 -17.8531 3.1224 3.1224 3.2819 3.2819 4.0646 4.0646 9.3509 9.3509 9.4997 9.4997 9.5280 9.5280 9.5901 9.5901 9.6447 9.6447 13.2822 13.2822 13.3834 13.3834 15.1535 15.1535 k = 0.3333 0.5774-0.0000 ( 5130 PWs) bands (ev): -89.1215 -89.1215 -89.1215 -89.1215 -88.8654 -88.8654 -88.8654 -88.8654 -88.8607 -88.8607 -51.3218 -51.3218 -25.6494 -25.6494 -18.0277 -18.0277 -17.8531 -17.8531 3.1224 3.1224 3.2819 3.2819 4.0646 4.0646 9.3509 9.3509 9.4997 9.4997 9.5280 9.5280 9.5901 9.5901 9.6447 9.6447 13.2822 13.2822 13.3834 13.3834 15.1535 15.1535 k = 0.3262 0.5651-0.0000 ( 5130 PWs) bands (ev): -89.1216 -89.1216 -89.1215 -89.1215 -88.8656 -88.8656 -88.8653 -88.8653 -88.8607 -88.8607 -51.3218 -51.3218 -25.6494 -25.6494 -18.0277 -18.0277 -17.8531 -17.8531 3.1098 3.1098 3.2864 3.2864 4.0757 4.0757 9.3373 9.3373 9.4555 9.4555 9.5554 9.5554 9.5985 9.5985 9.6655 9.6655 13.2473 13.2473 13.4134 13.4134 15.1362 15.1362 k = 0.3191 0.5528-0.0000 ( 5142 PWs) bands (ev): -89.1216 -89.1216 -89.1215 -89.1215 -88.8657 -88.8657 -88.8652 -88.8652 -88.8607 -88.8607 -51.3218 -51.3218 -25.6494 -25.6494 -18.0276 -18.0276 -17.8531 -17.8531 3.0707 3.0707 3.3034 3.3034 4.1066 4.1066 9.3043 9.3043 9.4008 9.4008 9.5425 9.5425 9.6479 9.6479 9.7127 9.7127 13.1761 13.1761 13.4692 13.4692 15.0934 15.0934 k = 0.3121 0.5405-0.0000 ( 5132 PWs) bands (ev): -89.1216 -89.1216 -89.1214 -89.1214 -88.8658 -88.8658 -88.8651 -88.8651 -88.8607 -88.8607 -51.3218 -51.3218 -25.6494 -25.6494 -18.0276 -18.0276 -17.8530 -17.8530 3.0114 3.0114 3.3309 3.3309 4.1533 4.1533 9.2617 9.2617 9.3461 9.3461 9.5175 9.5175 9.7099 9.7099 9.7667 9.7667 13.0896 13.0896 13.5299 13.5299 15.0291 15.0291 k = 0.3050 0.5282-0.0000 ( 5136 PWs) bands (ev): -89.1217 -89.1217 -89.1214 -89.1214 -88.8659 -88.8659 -88.8649 -88.8649 -88.8607 -88.8607 -51.3218 -51.3218 -25.6494 -25.6494 -18.0275 -18.0275 -17.8530 -17.8530 2.9395 2.9395 3.3646 3.3646 4.2119 4.2119 9.2145 9.2145 9.2914 9.2914 9.4907 9.4907 9.7760 9.7760 9.8205 9.8205 12.9922 12.9922 13.5912 13.5912 14.9476 14.9476 k = 0.2979 0.5159-0.0000 ( 5132 PWs) bands (ev): -89.1217 -89.1217 -89.1214 -89.1214 -88.8661 -88.8661 -88.8648 -88.8648 -88.8607 -88.8607 -51.3218 -51.3218 -25.6493 -25.6493 -18.0274 -18.0274 -17.8530 -17.8530 2.8603 2.8603 3.4024 3.4024 4.2798 4.2798 9.1650 9.1650 9.2371 9.2371 9.4635 9.4635 9.8427 9.8427 9.8738 9.8738 12.8857 12.8857 13.6518 13.6518 14.8564 14.8564 k = 0.2908 0.5036-0.0000 ( 5122 PWs) bands (ev): -89.1217 -89.1217 -89.1213 -89.1213 -88.8662 -88.8662 -88.8647 -88.8647 -88.8607 -88.8607 -51.3218 -51.3218 -25.6493 -25.6493 -18.0272 -18.0272 -17.8529 -17.8529 2.7768 2.7768 3.4431 3.4431 4.3547 4.3547 9.1137 9.1137 9.1837 9.1837 9.4363 9.4363 9.9005 9.9005 9.9345 9.9345 12.7714 12.7714 13.7110 13.7110 14.7614 14.7614 k = 0.2837 0.4914-0.0000 ( 5118 PWs) bands (ev): -89.1217 -89.1217 -89.1213 -89.1213 -88.8663 -88.8663 -88.8645 -88.8645 -88.8607 -88.8607 -51.3218 -51.3218 -25.6493 -25.6493 -18.0270 -18.0270 -17.8529 -17.8529 2.6908 2.6908 3.4863 3.4863 4.4352 4.4352 9.0604 9.0604 9.1325 9.1325 9.4094 9.4094 9.9443 9.9443 10.0072 10.0072 12.6506 12.6506 13.7691 13.7691 14.6660 14.6660 k = 0.2766 0.4791-0.0000 ( 5116 PWs) bands (ev): -89.1218 -89.1218 -89.1213 -89.1213 -88.8665 -88.8665 -88.8644 -88.8644 -88.8607 -88.8607 -51.3218 -51.3218 -25.6492 -25.6492 -18.0268 -18.0268 -17.8528 -17.8528 2.6037 2.6037 3.5315 3.5315 4.5204 4.5204 9.0048 9.0048 9.0842 9.0842 9.3827 9.3827 9.9799 9.9799 10.0855 10.0855 12.5241 12.5241 13.8263 13.8263 14.5715 14.5715 k = 0.2695 0.4668-0.0000 ( 5120 PWs) bands (ev): -89.1218 -89.1218 -89.1212 -89.1212 -88.8666 -88.8666 -88.8642 -88.8642 -88.8607 -88.8607 -51.3218 -51.3218 -25.6492 -25.6492 -18.0265 -18.0265 -17.8528 -17.8528 2.5163 2.5163 3.5788 3.5788 4.6094 4.6094 8.9467 8.9467 9.0393 9.0393 9.3564 9.3564 10.0095 10.0095 10.1671 10.1671 12.3930 12.3930 13.8833 13.8833 14.4789 14.4789 k = 0.2624 0.4545-0.0000 ( 5122 PWs) bands (ev): -89.1219 -89.1219 -89.1212 -89.1212 -88.8668 -88.8668 -88.8641 -88.8641 -88.8607 -88.8607 -51.3218 -51.3218 -25.6491 -25.6491 -18.0263 -18.0263 -17.8527 -17.8527 2.4292 2.4292 3.6279 3.6279 4.7016 4.7016 8.8866 8.8866 8.9977 8.9977 9.3303 9.3303 10.0335 10.0335 10.2515 10.2515 12.2580 12.2580 13.9409 13.9409 14.3885 14.3885 k = 0.2553 0.4422-0.0000 ( 5118 PWs) bands (ev): -89.1219 -89.1219 -89.1212 -89.1212 -88.8669 -88.8669 -88.8640 -88.8640 -88.8607 -88.8607 -51.3218 -51.3218 -25.6491 -25.6491 -18.0259 -18.0259 -17.8526 -17.8526 2.3428 2.3428 3.6788 3.6788 4.7966 4.7966 8.8252 8.8252 8.9591 8.9591 9.3044 9.3044 10.0524 10.0524 10.3383 10.3383 12.1199 12.1199 13.9998 13.9998 14.3007 14.3007 k = 0.2482 0.4299-0.0000 ( 5126 PWs) bands (ev): -89.1219 -89.1219 -89.1211 -89.1211 -88.8670 -88.8670 -88.8638 -88.8638 -88.8607 -88.8607 -51.3218 -51.3218 -25.6490 -25.6490 -18.0256 -18.0256 -17.8526 -17.8526 2.2574 2.2574 3.7315 3.7315 4.8940 4.8940 8.7630 8.7630 8.9232 8.9232 9.2787 9.2787 10.0663 10.0663 10.4274 10.4274 11.9795 11.9795 14.0607 14.0607 14.2156 14.2156 k = 0.2411 0.4177-0.0000 ( 5126 PWs) bands (ev): -89.1220 -89.1220 -89.1211 -89.1211 -88.8672 -88.8672 -88.8637 -88.8637 -88.8607 -88.8607 -51.3218 -51.3218 -25.6490 -25.6490 -18.0252 -18.0252 -17.8525 -17.8525 2.1732 2.1732 3.7860 3.7860 4.9933 4.9933 8.7005 8.7005 8.8898 8.8898 9.2532 9.2532 10.0757 10.0757 10.5187 10.5187 11.8373 11.8373 14.1242 14.1242 14.1334 14.1334 k = 0.2340 0.4054-0.0000 ( 5132 PWs) bands (ev): -89.1220 -89.1220 -89.1211 -89.1211 -88.8673 -88.8673 -88.8635 -88.8635 -88.8607 -88.8607 -51.3218 -51.3218 -25.6489 -25.6489 -18.0248 -18.0248 -17.8524 -17.8524 2.0905 2.0905 3.8423 3.8423 5.0944 5.0944 8.6382 8.6382 8.8587 8.8587 9.2277 9.2277 10.0806 10.0806 10.6120 10.6120 11.6939 11.6939 14.0540 14.0540 14.1907 14.1907 k = 0.2270 0.3931-0.0000 ( 5128 PWs) bands (ev): -89.1220 -89.1220 -89.1210 -89.1210 -88.8675 -88.8675 -88.8634 -88.8634 -88.8607 -88.8607 -51.3218 -51.3218 -25.6488 -25.6488 -18.0244 -18.0244 -17.8523 -17.8523 2.0095 2.0095 3.9002 3.9002 5.1967 5.1967 8.5765 8.5765 8.8297 8.8297 9.2020 9.2020 10.0816 10.0816 10.7072 10.7072 11.5500 11.5500 13.9776 13.9776 14.2600 14.2600 k = 0.2199 0.3808-0.0000 ( 5128 PWs) bands (ev): -89.1221 -89.1221 -89.1210 -89.1210 -88.8676 -88.8676 -88.8633 -88.8633 -88.8607 -88.8607 -51.3218 -51.3218 -25.6487 -25.6487 -18.0239 -18.0239 -17.8522 -17.8522 1.9301 1.9301 3.9600 3.9600 5.3000 5.3000 8.5157 8.5157 8.8028 8.8028 9.1762 9.1762 10.0789 10.0789 10.8040 10.8040 11.4061 11.4061 13.9043 13.9043 14.3317 14.3317 k = 0.2128 0.3685-0.0000 ( 5130 PWs) bands (ev): -89.1221 -89.1221 -89.1210 -89.1210 -88.8677 -88.8677 -88.8631 -88.8631 -88.8607 -88.8607 -51.3218 -51.3218 -25.6487 -25.6487 -18.0234 -18.0234 -17.8521 -17.8521 1.8526 1.8526 4.0215 4.0215 5.4040 5.4040 8.4564 8.4564 8.7779 8.7779 9.1499 9.1499 10.0729 10.0729 10.9018 10.9018 11.2635 11.2635 13.8340 13.8340 14.4033 14.4033 k = 0.2057 0.3562-0.0000 ( 5134 PWs) bands (ev): -89.1221 -89.1221 -89.1209 -89.1209 -88.8679 -88.8679 -88.8630 -88.8630 -88.8607 -88.8607 -51.3218 -51.3218 -25.6486 -25.6486 -18.0229 -18.0229 -17.8520 -17.8520 1.7770 1.7770 4.0847 4.0847 5.5083 5.5083 8.3989 8.3989 8.7548 8.7548 9.1230 9.1230 10.0639 10.0639 10.9956 10.9956 11.1272 11.1272 13.7668 13.7668 14.4631 14.4631 k = 0.1986 0.3440-0.0000 ( 5134 PWs) bands (ev): -89.1222 -89.1222 -89.1209 -89.1209 -88.8680 -88.8680 -88.8629 -88.8629 -88.8607 -88.8607 -51.3218 -51.3218 -25.6485 -25.6485 -18.0223 -18.0223 -17.8519 -17.8519 1.7035 1.7035 4.1497 4.1497 5.6124 5.6124 8.3437 8.3437 8.7335 8.7335 9.0953 9.0953 10.0522 10.0522 10.9658 10.9658 11.1174 11.1174 13.7027 13.7027 14.4755 14.4755 k = 0.1915 0.3317-0.0000 ( 5140 PWs) bands (ev): -89.1222 -89.1222 -89.1209 -89.1209 -88.8681 -88.8681 -88.8627 -88.8627 -88.8607 -88.8607 -51.3218 -51.3218 -25.6484 -25.6484 -18.0217 -18.0217 -17.8517 -17.8517 1.6320 1.6320 4.2165 4.2165 5.7159 5.7159 8.2911 8.2911 8.7138 8.7138 9.0663 9.0663 10.0382 10.0382 10.8315 10.8315 11.2153 11.2153 13.6416 13.6416 14.4552 14.4552 k = 0.1844 0.3194-0.0000 ( 5138 PWs) bands (ev): -89.1222 -89.1222 -89.1208 -89.1208 -88.8683 -88.8683 -88.8626 -88.8626 -88.8607 -88.8607 -51.3218 -51.3218 -25.6483 -25.6483 -18.0211 -18.0211 -17.8516 -17.8516 1.5626 1.5626 4.2850 4.2850 5.8183 5.8183 8.2419 8.2419 8.6957 8.6957 9.0358 9.0358 10.0220 10.0220 10.6954 10.6954 11.3186 11.3186 13.5838 13.5838 14.4298 14.4298 k = 0.1773 0.3071-0.0000 ( 5148 PWs) bands (ev): -89.1223 -89.1223 -89.1208 -89.1208 -88.8684 -88.8684 -88.8625 -88.8625 -88.8607 -88.8607 -51.3218 -51.3218 -25.6482 -25.6482 -18.0205 -18.0205 -17.8515 -17.8515 1.4955 1.4955 4.3553 4.3553 5.9190 5.9190 8.1964 8.1964 8.6791 8.6791 9.0033 9.0033 10.0040 10.0040 10.5620 10.5620 11.4235 11.4235 13.5290 13.5290 14.4050 14.4050 k = 0.1702 0.2948-0.0000 ( 5152 PWs) bands (ev): -89.1223 -89.1223 -89.1208 -89.1208 -88.8685 -88.8685 -88.8623 -88.8623 -88.8607 -88.8607 -51.3218 -51.3218 -25.6481 -25.6481 -18.0199 -18.0199 -17.8513 -17.8513 1.4306 1.4306 4.4274 4.4274 6.0174 6.0174 8.1555 8.1555 8.6639 8.6639 8.9682 8.9682 9.9841 9.9841 10.4324 10.4324 11.5291 11.5291 13.4773 13.4773 14.3825 14.3825 k = 0.1631 0.2825-0.0000 ( 5156 PWs) bands (ev): -89.1223 -89.1223 -89.1207 -89.1207 -88.8686 -88.8686 -88.8622 -88.8622 -88.8607 -88.8607 -51.3218 -51.3218 -25.6480 -25.6480 -18.0193 -18.0193 -17.8512 -17.8512 1.3680 1.3680 4.5012 4.5012 6.1126 6.1126 8.1197 8.1197 8.6498 8.6498 8.9298 8.9298 9.9624 9.9624 10.3081 10.3081 11.6350 11.6350 13.4287 13.4287 14.3628 14.3629 k = 0.1560 0.2702-0.0000 ( 5160 PWs) bands (ev): -89.1224 -89.1224 -89.1207 -89.1207 -88.8688 -88.8688 -88.8621 -88.8621 -88.8607 -88.8607 -51.3219 -51.3219 -25.6479 -25.6479 -18.0187 -18.0187 -17.8511 -17.8511 1.3077 1.3077 4.5769 4.5769 6.2037 6.2037 8.0899 8.0899 8.6368 8.6368 8.8876 8.8876 9.9385 9.9385 10.1905 10.1905 11.7407 11.7407 13.3832 13.3832 14.3468 14.3468 k = 0.1489 0.2580-0.0000 ( 5154 PWs) bands (ev): -89.1224 -89.1224 -89.1207 -89.1207 -88.8689 -88.8689 -88.8620 -88.8620 -88.8607 -88.8607 -51.3219 -51.3219 -25.6478 -25.6478 -18.0180 -18.0180 -17.8510 -17.8510 1.2498 1.2498 4.6543 4.6543 6.2899 6.2899 8.0670 8.0670 8.6244 8.6244 8.8409 8.8409 9.9108 9.9108 10.0822 10.0822 11.8458 11.8458 13.3407 13.3407 14.3349 14.3349 k = 0.1418 0.2457-0.0000 ( 5162 PWs) bands (ev): -89.1224 -89.1224 -89.1207 -89.1207 -88.8690 -88.8690 -88.8619 -88.8619 -88.8607 -88.8607 -51.3219 -51.3219 -25.6477 -25.6477 -18.0174 -18.0174 -17.8508 -17.8508 1.1943 1.1943 4.7335 4.7335 6.3700 6.3700 8.0520 8.0520 8.6121 8.6121 8.7894 8.7894 9.8748 9.8748 9.9892 9.9892 11.9496 11.9496 13.3013 13.3013 14.3276 14.3276 k = 0.1348 0.2334-0.0000 ( 5159 PWs) bands (ev): -89.1224 -89.1224 -89.1206 -89.1206 -88.8691 -88.8691 -88.8618 -88.8618 -88.8607 -88.8607 -51.3219 -51.3219 -25.6476 -25.6476 -18.0167 -18.0167 -17.8507 -17.8507 1.1413 1.1413 4.8145 4.8145 6.4431 6.4431 8.0455 8.0455 8.5981 8.5981 8.7337 8.7337 9.8204 9.8204 9.9225 9.9225 12.0516 12.0516 13.2649 13.2649 14.3257 14.3257 k = 0.1277 0.2211-0.0000 ( 5163 PWs) bands (ev): -89.1225 -89.1225 -89.1206 -89.1206 -88.8692 -88.8692 -88.8617 -88.8617 -88.8607 -88.8607 -51.3219 -51.3219 -25.6475 -25.6475 -18.0161 -18.0161 -17.8506 -17.8506 1.0908 1.0908 4.8973 4.8973 6.5082 6.5082 8.0486 8.0486 8.5775 8.5775 8.6784 8.6784 9.7497 9.7497 9.8808 9.8808 12.1509 12.1509 13.2315 13.2315 14.3298 14.3298 k = 0.1206 0.2088-0.0000 ( 5167 PWs) bands (ev): -89.1225 -89.1225 -89.1206 -89.1206 -88.8693 -88.8693 -88.8616 -88.8616 -88.8607 -88.8607 -51.3219 -51.3219 -25.6474 -25.6474 -18.0155 -18.0155 -17.8504 -17.8504 1.0429 1.0429 4.9819 4.9819 6.5646 6.5646 8.0614 8.0614 8.5368 8.5368 8.6365 8.6365 9.6778 9.6778 9.8494 9.8494 12.2468 12.2468 13.2011 13.2011 14.3406 14.3406 k = 0.1135 0.1965-0.0000 ( 5167 PWs) bands (ev): -89.1225 -89.1225 -89.1206 -89.1206 -88.8694 -88.8694 -88.8615 -88.8615 -88.8607 -88.8607 -51.3219 -51.3219 -25.6473 -25.6473 -18.0149 -18.0149 -17.8503 -17.8503 0.9975 0.9975 5.0683 5.0683 6.6118 6.6118 8.0842 8.0842 8.4692 8.4692 8.6150 8.6150 9.6117 9.6117 9.8213 9.8213 12.3384 12.3384 13.1737 13.1737 14.3590 14.3590 k = 0.1064 0.1843-0.0000 ( 5167 PWs) bands (ev): -89.1225 -89.1225 -89.1205 -89.1205 -88.8695 -88.8695 -88.8614 -88.8614 -88.8607 -88.8607 -51.3219 -51.3219 -25.6472 -25.6472 -18.0143 -18.0143 -17.8502 -17.8502 0.9547 0.9547 5.1564 5.1564 6.6500 6.6500 8.1160 8.1160 8.3858 8.3858 8.6041 8.6041 9.5531 9.5531 9.7943 9.7943 12.4247 12.4247 13.1491 13.1491 14.3857 14.3857 k = 0.0993 0.1720-0.0000 ( 5161 PWs) bands (ev): -89.1226 -89.1226 -89.1205 -89.1205 -88.8696 -88.8696 -88.8613 -88.8613 -88.8607 -88.8607 -51.3219 -51.3219 -25.6471 -25.6471 -18.0137 -18.0137 -17.8500 -17.8500 0.9145 0.9145 5.2464 5.2464 6.6795 6.6795 8.1532 8.1532 8.2963 8.2963 8.5975 8.5975 9.5021 9.5021 9.7677 9.7677 12.5048 12.5048 13.1276 13.1276 14.4215 14.4215 k = 0.0922 0.1597-0.0000 ( 5163 PWs) bands (ev): -89.1226 -89.1226 -89.1205 -89.1205 -88.8696 -88.8696 -88.8612 -88.8612 -88.8607 -88.8607 -51.3219 -51.3219 -25.6470 -25.6470 -18.0132 -18.0132 -17.8499 -17.8499 0.8769 0.8769 5.3381 5.3381 6.7012 6.7012 8.1582 8.1582 8.2400 8.2400 8.5934 8.5934 9.4579 9.4579 9.7411 9.7411 12.5778 12.5778 13.1091 13.1091 14.4671 14.4671 k = 0.0851 0.1474-0.0000 ( 5163 PWs) bands (ev): -89.1226 -89.1226 -89.1205 -89.1205 -88.8697 -88.8697 -88.8612 -88.8612 -88.8607 -88.8607 -51.3219 -51.3219 -25.6469 -25.6469 -18.0127 -18.0127 -17.8498 -17.8498 0.8421 0.8421 5.4316 5.4316 6.7162 6.7162 8.0697 8.0697 8.2783 8.2783 8.5913 8.5913 9.4198 9.4198 9.7144 9.7144 12.6429 12.6429 13.0936 13.0936 14.5230 14.5230 k = 0.0780 0.1351-0.0000 ( 5169 PWs) bands (ev): -89.1226 -89.1226 -89.1205 -89.1205 -88.8698 -88.8698 -88.8611 -88.8611 -88.8607 -88.8607 -51.3219 -51.3219 -25.6468 -25.6468 -18.0122 -18.0122 -17.8497 -17.8497 0.8099 0.8099 5.5268 5.5268 6.7256 6.7256 7.9622 7.9622 8.3357 8.3357 8.5915 8.5915 9.3867 9.3867 9.6874 9.6874 12.6996 12.6996 13.0812 13.0812 14.5892 14.5892 k = 0.0709 0.1228-0.0000 ( 5169 PWs) bands (ev): -89.1226 -89.1226 -89.1204 -89.1204 -88.8698 -88.8698 -88.8610 -88.8610 -88.8607 -88.8607 -51.3219 -51.3219 -25.6468 -25.6468 -18.0117 -18.0117 -17.8496 -17.8496 0.7805 0.7805 5.6238 5.6238 6.7306 6.7306 7.8500 7.8500 8.3962 8.3962 8.5954 8.5954 9.3577 9.3577 9.6601 9.6601 12.7475 12.7475 13.0721 13.0721 14.6657 14.6657 k = 0.0638 0.1106-0.0000 ( 5175 PWs) bands (ev): -89.1226 -89.1226 -89.1204 -89.1204 -88.8699 -88.8699 -88.8610 -88.8610 -88.8607 -88.8607 -51.3219 -51.3219 -25.6467 -25.6467 -18.0113 -18.0113 -17.8495 -17.8495 0.7538 0.7538 5.7224 5.7224 6.7323 6.7323 7.7352 7.7352 8.4534 8.4534 8.6063 8.6063 9.3320 9.3320 9.6326 9.6326 12.7867 12.7867 13.0662 13.0662 14.7520 14.7520 k = 0.0567 0.0983-0.0000 ( 5177 PWs) bands (ev): -89.1227 -89.1227 -89.1204 -89.1204 -88.8700 -88.8700 -88.8609 -88.8609 -88.8607 -88.8607 -51.3219 -51.3219 -25.6466 -25.6466 -18.0109 -18.0109 -17.8495 -17.8495 0.7298 0.7298 5.8228 5.8228 6.7317 6.7317 7.6188 7.6188 8.4982 8.4982 8.6314 8.6314 9.3086 9.3086 9.6050 9.6050 12.8174 12.8174 13.0635 13.0635 14.8470 14.8470 k = 0.0496 0.0860-0.0000 ( 5181 PWs) bands (ev): -89.1227 -89.1227 -89.1204 -89.1204 -88.8700 -88.8700 -88.8609 -88.8609 -88.8607 -88.8607 -51.3219 -51.3219 -25.6466 -25.6466 -18.0106 -18.0106 -17.8494 -17.8494 0.7087 0.7087 5.9248 5.9248 6.7295 6.7295 7.5017 7.5017 8.5241 8.5241 8.6761 8.6761 9.2867 9.2867 9.5776 9.5776 12.8405 12.8405 13.0636 13.0636 14.8069 14.8069 k = 0.0426 0.0737-0.0000 ( 5185 PWs) bands (ev): -89.1227 -89.1227 -89.1204 -89.1204 -88.8700 -88.8700 -88.8608 -88.8608 -88.8607 -88.8607 -51.3219 -51.3219 -25.6465 -25.6465 -18.0103 -18.0103 -17.8493 -17.8493 0.6903 0.6903 6.0283 6.0283 6.7264 6.7264 7.3842 7.3842 8.5362 8.5362 8.7338 8.7338 9.2653 9.2653 9.5508 9.5508 12.8570 12.8570 13.0659 13.0659 14.7509 14.7509 k = 0.0355 0.0614-0.0000 ( 5187 PWs) bands (ev): -89.1227 -89.1227 -89.1204 -89.1204 -88.8701 -88.8701 -88.8608 -88.8608 -88.8607 -88.8607 -51.3219 -51.3219 -25.6465 -25.6465 -18.0100 -18.0100 -17.8493 -17.8493 0.6747 0.6747 6.1335 6.1335 6.7229 6.7229 7.2669 7.2669 8.5419 8.5419 8.7962 8.7962 9.2434 9.2434 9.5253 9.5253 12.8684 12.8684 13.0694 13.0694 14.7014 14.7014 k = 0.0284 0.0491-0.0000 ( 5187 PWs) bands (ev): -89.1227 -89.1227 -89.1204 -89.1204 -88.8701 -88.8701 -88.8608 -88.8608 -88.8607 -88.8607 -51.3219 -51.3219 -25.6465 -25.6465 -18.0098 -18.0098 -17.8492 -17.8492 0.6620 0.6620 6.2400 6.2400 6.7195 6.7195 7.1502 7.1502 8.5449 8.5449 8.8586 8.8586 9.2197 9.2197 9.5021 9.5021 12.8758 12.8758 13.0734 13.0734 14.6595 14.6595 k = 0.0213 0.0369-0.0000 ( 5185 PWs) bands (ev): -89.1227 -89.1227 -89.1204 -89.1204 -88.8701 -88.8701 -88.8607 -88.8607 -88.8607 -88.8607 -51.3219 -51.3219 -25.6464 -25.6464 -18.0096 -18.0096 -17.8492 -17.8492 0.6521 0.6521 6.3478 6.3478 6.7162 6.7162 7.0345 7.0345 8.5465 8.5465 8.9189 8.9189 9.1932 9.1932 9.4822 9.4822 12.8806 12.8806 13.0771 13.0771 14.6261 14.6261 k = 0.0142 0.0246-0.0000 ( 5185 PWs) bands (ev): -89.1227 -89.1227 -89.1204 -89.1204 -88.8701 -88.8701 -88.8607 -88.8607 -88.8607 -88.8607 -51.3219 -51.3219 -25.6464 -25.6464 -18.0095 -18.0095 -17.8492 -17.8492 0.6450 0.6450 6.4564 6.4564 6.7130 6.7130 6.9210 6.9210 8.5474 8.5474 8.9751 8.9751 9.1628 9.1628 9.4671 9.4671 12.8834 12.8834 13.0800 13.0800 14.6017 14.6017 k = 0.0071 0.0123-0.0000 ( 5173 PWs) bands (ev): -89.1227 -89.1227 -89.1204 -89.1204 -88.8701 -88.8701 -88.8607 -88.8607 -88.8607 -88.8607 -51.3219 -51.3219 -25.6464 -25.6464 -18.0094 -18.0094 -17.8491 -17.8491 0.6407 0.6407 6.5644 6.5644 6.7068 6.7068 6.8140 6.8140 8.5478 8.5478 9.0248 9.0248 9.1294 9.1294 9.4575 9.4575 12.8849 12.8849 13.0819 13.0819 14.5869 14.5869 k = 0.0000 0.0000 0.0000 ( 5167 PWs) bands (ev): -89.1227 -89.1227 -89.1204 -89.1204 -88.8701 -88.8701 -88.8607 -88.8607 -88.8607 -88.8607 -51.3219 -51.3219 -25.6464 -25.6464 -18.0094 -18.0094 -17.8491 -17.8491 0.6393 0.6393 6.6571 6.6571 6.6709 6.6709 6.7555 6.7555 8.5480 8.5480 9.0535 9.0535 9.1062 9.1062 9.4543 9.4543 12.8854 12.8854 13.0826 13.0826 14.5819 14.5819 k = 0.0000 0.0000 0.0000 ( 5167 PWs) bands (ev): -89.1227 -89.1227 -89.1204 -89.1204 -88.8701 -88.8701 -88.8607 -88.8607 -88.8607 -88.8607 -51.3219 -51.3219 -25.6464 -25.6464 -18.0094 -18.0094 -17.8491 -17.8491 0.6393 0.6393 6.6571 6.6571 6.6709 6.6709 6.7555 6.7555 8.5480 8.5480 9.0535 9.0535 9.1062 9.1062 9.4543 9.4543 12.8854 12.8854 13.0826 13.0826 14.5819 14.5819 k = 0.0000 0.0000 0.0142 ( 5173 PWs) bands (ev): -89.1227 -89.1227 -89.1204 -89.1204 -88.8701 -88.8701 -88.8607 -88.8607 -88.8607 -88.8607 -51.3219 -51.3219 -25.6464 -25.6464 -18.0094 -18.0094 -17.8493 -17.8493 0.6406 0.6406 6.6574 6.6574 6.6714 6.6714 6.7560 6.7560 8.5274 8.5274 9.0613 9.0613 9.1156 9.1156 9.4525 9.4525 12.8862 12.8862 13.0840 13.0840 14.5881 14.5881 k = 0.0000 0.0000 0.0284 ( 5167 PWs) bands (ev): -89.1227 -89.1227 -89.1204 -89.1204 -88.8701 -88.8701 -88.8607 -88.8607 -88.8607 -88.8607 -51.3219 -51.3219 -25.6465 -25.6465 -18.0093 -18.0093 -17.8498 -17.8498 0.6444 0.6444 6.6584 6.6584 6.6728 6.6728 6.7574 6.7574 8.4724 8.4724 9.0685 9.0685 9.1536 9.1536 9.4472 9.4472 12.8886 12.8886 13.0884 13.0884 14.6067 14.6067 k = 0.0000 0.0000 0.0426 ( 5173 PWs) bands (ev): -89.1227 -89.1227 -89.1204 -89.1204 -88.8702 -88.8702 -88.8607 -88.8607 -88.8607 -88.8607 -51.3219 -51.3219 -25.6466 -25.6466 -18.0091 -18.0091 -17.8506 -17.8506 0.6509 0.6509 6.6600 6.6600 6.6751 6.6751 6.7597 6.7597 8.3949 8.3949 9.0667 9.0667 9.2167 9.2167 9.4385 9.4385 12.8925 12.8925 13.0957 13.0957 14.6375 14.6375 k = 0.0000 0.0000 0.0568 ( 5173 PWs) bands (ev): -89.1227 -89.1227 -89.1204 -89.1204 -88.8702 -88.8702 -88.8607 -88.8607 -88.8607 -88.8607 -51.3218 -51.3218 -25.6468 -25.6468 -18.0089 -18.0089 -17.8518 -17.8518 0.6599 0.6599 6.6622 6.6622 6.6783 6.6783 6.7630 6.7630 8.3036 8.3036 9.0599 9.0599 9.2925 9.2925 9.4264 9.4264 12.8980 12.8980 13.1058 13.1058 14.6801 14.6801 k = 0.0000 0.0000 0.0710 ( 5185 PWs) bands (ev): -89.1227 -89.1227 -89.1204 -89.1204 -88.8702 -88.8702 -88.8607 -88.8607 -88.8607 -88.8607 -51.3218 -51.3218 -25.6471 -25.6471 -18.0086 -18.0086 -17.8533 -17.8533 0.6715 0.6715 6.6650 6.6650 6.6824 6.6824 6.7672 6.7672 8.2034 8.2034 9.0501 9.0501 9.3748 9.3748 9.4110 9.4110 12.9051 12.9051 13.1187 13.1187 14.7341 14.7341 k = 0.0000 0.0000 0.0852 ( 5185 PWs) bands (ev): -89.1227 -89.1227 -89.1204 -89.1204 -88.8702 -88.8702 -88.8607 -88.8607 -88.8607 -88.8607 -51.3217 -51.3217 -25.6474 -25.6474 -18.0083 -18.0083 -17.8551 -17.8551 0.6857 0.6857 6.6684 6.6684 6.6874 6.6874 6.7722 6.7722 8.0967 8.0967 9.0377 9.0377 9.3925 9.3925 9.4608 9.4608 12.9138 12.9138 13.1343 13.1343 14.7990 14.7990 k = 0.0000 0.0000 0.0994 ( 5167 PWs) bands (ev): -89.1227 -89.1227 -89.1204 -89.1204 -88.8702 -88.8702 -88.8607 -88.8607 -88.8607 -88.8607 -51.3216 -51.3216 -25.6477 -25.6477 -18.0079 -18.0079 -17.8572 -17.8572 0.7024 0.7024 6.6725 6.6725 6.6932 6.6932 6.7782 6.7782 7.9853 7.9853 9.0230 9.0230 9.3710 9.3710 9.5493 9.5493 12.9239 12.9239 13.1525 13.1525 14.8741 14.8741 k = 0.0000 0.0000 0.1136 ( 5167 PWs) bands (ev): -89.1227 -89.1227 -89.1204 -89.1204 -88.8702 -88.8702 -88.8607 -88.8607 -88.8607 -88.8607 -51.3215 -51.3215 -25.6481 -25.6481 -18.0075 -18.0075 -17.8597 -17.8597 0.7217 0.7217 6.6771 6.6771 6.6999 6.6999 6.7850 6.7850 7.8699 7.8699 9.0062 9.0062 9.3467 9.3467 9.6399 9.6399 12.9356 12.9356 13.1731 13.1731 14.9587 14.9587 k = 0.0000 0.0000 0.1278 ( 5167 PWs) bands (ev): -89.1226 -89.1226 -89.1204 -89.1204 -88.8702 -88.8702 -88.8607 -88.8607 -88.8607 -88.8607 -51.3214 -51.3214 -25.6486 -25.6486 -18.0070 -18.0070 -17.8624 -17.8624 0.7434 0.7434 6.6823 6.6823 6.7075 6.7075 6.7927 6.7927 7.7513 7.7513 8.9876 8.9876 9.3198 9.3198 9.7323 9.7323 12.9489 12.9489 13.1962 13.1962 15.0520 15.0520 k = 0.0000 0.0000 0.1420 ( 5167 PWs) bands (ev): -89.1226 -89.1226 -89.1204 -89.1204 -88.8702 -88.8702 -88.8607 -88.8607 -88.8607 -88.8607 -51.3213 -51.3213 -25.6491 -25.6491 -18.0064 -18.0064 -17.8653 -17.8653 0.7677 0.7677 6.6880 6.6880 6.7158 6.7158 6.8012 6.8012 7.6300 7.6300 8.9671 8.9671 9.2906 9.2906 9.8267 9.8267 12.9636 12.9636 13.2215 13.2215 15.1533 15.1533 k = 0.0000 0.0000 0.1562 ( 5173 PWs) bands (ev): -89.1226 -89.1226 -89.1204 -89.1204 -88.8703 -88.8703 -88.8607 -88.8607 -88.8607 -88.8607 -51.3212 -51.3212 -25.6496 -25.6496 -18.0058 -18.0058 -17.8686 -17.8686 0.7945 0.7945 6.6943 6.6943 6.7250 6.7250 6.8104 6.8104 7.5063 7.5063 8.9450 8.9450 9.2591 9.2591 9.9230 9.9230 12.9798 12.9798 13.2490 13.2490 15.1379 15.1379 k = 0.0000 0.0000 0.1704 ( 5167 PWs) bands (ev): -89.1226 -89.1226 -89.1204 -89.1204 -88.8703 -88.8703 -88.8607 -88.8607 -88.8607 -88.8607 -51.3210 -51.3210 -25.6502 -25.6502 -18.0052 -18.0052 -17.8721 -17.8721 0.8237 0.8237 6.7011 6.7011 6.7349 6.7349 6.8205 6.8205 7.3806 7.3806 8.9215 8.9215 9.2258 9.2258 10.0216 10.0216 12.9974 12.9974 13.2784 13.2784 15.0641 15.0641 k = 0.0000 0.0000 0.1846 ( 5179 PWs) bands (ev): -89.1226 -89.1226 -89.1204 -89.1204 -88.8703 -88.8703 -88.8607 -88.8607 -88.8607 -88.8607 -51.3209 -51.3209 -25.6509 -25.6509 -18.0045 -18.0045 -17.8758 -17.8758 0.8554 0.8554 6.7084 6.7084 6.7455 6.7455 6.8313 6.8313 7.2533 7.2533 8.8966 8.8966 9.1908 9.1908 10.1226 10.1226 13.0165 13.0165 13.3098 13.3098 14.9879 14.9879 k = 0.0000 0.0000 0.1988 ( 5131 PWs) bands (ev): -89.1225 -89.1225 -89.1203 -89.1203 -88.8703 -88.8703 -88.8607 -88.8607 -88.8607 -88.8607 -51.3207 -51.3207 -25.6515 -25.6515 -18.0037 -18.0037 -17.8796 -17.8796 0.8896 0.8896 6.7161 6.7161 6.7567 6.7567 6.8428 6.8428 7.1245 7.1245 8.8705 8.8705 9.1543 9.1543 10.2262 10.2262 13.0370 13.0370 13.3429 13.3429 14.9098 14.9098 k = 0.0000 0.0000 0.2130 ( 5143 PWs) bands (ev): -89.1225 -89.1225 -89.1204 -89.1204 -88.8703 -88.8703 -88.8607 -88.8607 -88.8607 -88.8607 -51.3205 -51.3205 -25.6522 -25.6522 -18.0030 -18.0030 -17.8837 -17.8837 0.9261 0.9261 6.7243 6.7243 6.7687 6.7687 6.8549 6.8549 6.9946 6.9946 8.8435 8.8435 9.1165 9.1165 10.3325 10.3325 13.0588 13.0588 13.3776 13.3776 14.8303 14.8303 k = 0.0000 0.0000 0.2272 ( 5143 PWs) bands (ev): -89.1225 -89.1225 -89.1204 -89.1204 -88.8703 -88.8703 -88.8607 -88.8607 -88.8607 -88.8607 -51.3204 -51.3204 -25.6529 -25.6529 -18.0022 -18.0022 -17.8880 -17.8880 0.9650 0.9650 6.7328 6.7328 6.7812 6.7812 6.8638 6.8638 6.8676 6.8676 8.8155 8.8155 9.0778 9.0778 10.4419 10.4419 13.0820 13.0820 13.4139 13.4139 14.7499 14.7499 k = 0.0000 0.0000 0.2414 ( 5137 PWs) bands (ev): -89.1225 -89.1225 -89.1204 -89.1204 -88.8704 -88.8704 -88.8607 -88.8607 -88.8607 -88.8607 -51.3202 -51.3202 -25.6537 -25.6537 -18.0013 -18.0013 -17.8924 -17.8924 1.0063 1.0063 6.7323 6.7323 6.7418 6.7418 6.7943 6.7943 6.8810 6.8810 8.7868 8.7868 9.0382 9.0382 10.5543 10.5543 13.1065 13.1065 13.4514 13.4514 14.6691 14.6691 k = 0.0000 0.0000 0.2556 ( 5131 PWs) bands (ev): -89.1225 -89.1225 -89.1203 -89.1203 -88.8704 -88.8704 -88.8607 -88.8607 -88.8607 -88.8607 -51.3200 -51.3200 -25.6544 -25.6544 -18.0005 -18.0005 -17.8969 -17.8969 1.0500 1.0500 6.6003 6.6003 6.7510 6.7510 6.8078 6.8078 6.8948 6.8948 8.7576 8.7576 8.9981 8.9981 10.6700 10.6700 13.1322 13.1322 13.4903 13.4903 14.5882 14.5882 k = 0.0000 0.0000 0.2698 ( 5125 PWs) bands (ev): -89.1224 -89.1224 -89.1203 -89.1203 -88.8704 -88.8704 -88.8607 -88.8607 -88.8607 -88.8607 -51.3198 -51.3198 -25.6552 -25.6552 -17.9996 -17.9996 -17.9016 -17.9016 1.0959 1.0959 6.4681 6.4681 6.7606 6.7606 6.8219 6.8219 6.9091 6.9091 8.7279 8.7279 8.9577 8.9577 10.7890 10.7890 13.1591 13.1591 13.5302 13.5302 14.5076 14.5076 k = 0.0000 0.0000 0.2840 ( 5137 PWs) bands (ev): -89.1224 -89.1224 -89.1204 -89.1204 -88.8704 -88.8704 -88.8607 -88.8607 -88.8607 -88.8607 -51.3196 -51.3196 -25.6561 -25.6561 -17.9987 -17.9987 -17.9063 -17.9063 1.1441 1.1441 6.3358 6.3358 6.7704 6.7704 6.8363 6.8363 6.9238 6.9238 8.6980 8.6980 8.9171 8.9171 10.9114 10.9114 13.1871 13.1871 13.5711 13.5711 14.4277 14.4277 k = 0.0000 0.0000 0.2982 ( 5131 PWs) bands (ev): -89.1224 -89.1224 -89.1204 -89.1204 -88.8705 -88.8705 -88.8607 -88.8607 -88.8607 -88.8607 -51.3194 -51.3194 -25.6569 -25.6569 -17.9978 -17.9978 -17.9111 -17.9111 1.1946 1.1946 6.2035 6.2035 6.7805 6.7805 6.8511 6.8511 6.9389 6.9389 8.6679 8.6679 8.8765 8.8765 11.0372 11.0372 13.2163 13.2163 13.6129 13.6129 14.3487 14.3487 k = 0.0000 0.0000 0.3124 ( 5131 PWs) bands (ev): -89.1224 -89.1224 -89.1204 -89.1204 -88.8705 -88.8705 -88.8607 -88.8607 -88.8607 -88.8607 -51.3192 -51.3192 -25.6577 -25.6577 -17.9969 -17.9969 -17.9159 -17.9159 1.2474 1.2474 6.0715 6.0715 6.7907 6.7907 6.8662 6.8662 6.9542 6.9542 8.6378 8.6378 8.8362 8.8362 11.1665 11.1665 13.2464 13.2464 13.6553 13.6553 14.2709 14.2709 k = 0.0000 0.0000 0.3266 ( 5137 PWs) bands (ev): -89.1223 -89.1223 -89.1204 -89.1204 -88.8705 -88.8705 -88.8607 -88.8607 -88.8607 -88.8607 -51.3190 -51.3190 -25.6586 -25.6586 -17.9960 -17.9960 -17.9207 -17.9207 1.3023 1.3023 5.9399 5.9399 6.8011 6.8011 6.8814 6.8814 6.9698 6.9698 8.6080 8.6080 8.7962 8.7962 11.2993 11.2993 13.2776 13.2776 13.6984 13.6984 14.1947 14.1947 k = 0.0000 0.0000 0.3408 ( 5137 PWs) bands (ev): -89.1223 -89.1223 -89.1204 -89.1204 -88.8705 -88.8705 -88.8607 -88.8607 -88.8607 -88.8607 -51.3188 -51.3188 -25.6594 -25.6594 -17.9951 -17.9951 -17.9255 -17.9255 1.3594 1.3594 5.8087 5.8087 6.8115 6.8115 6.8969 6.8969 6.9855 6.9855 8.5783 8.5783 8.7569 8.7569 11.4356 11.4356 13.3097 13.3097 13.7419 13.7419 14.1202 14.1202 k = 0.0000 0.0000 0.3550 ( 5131 PWs) bands (ev): -89.1223 -89.1223 -89.1204 -89.1204 -88.8706 -88.8706 -88.8607 -88.8607 -88.8607 -88.8607 -51.3186 -51.3186 -25.6602 -25.6602 -17.9942 -17.9942 -17.9303 -17.9303 1.4186 1.4186 5.6783 5.6783 6.8220 6.8220 6.9124 6.9124 7.0014 7.0014 8.5491 8.5491 8.7182 8.7182 11.5751 11.5751 13.3426 13.3426 13.7856 13.7856 14.0476 14.0476 k = 0.0000 0.0000 0.3692 ( 5131 PWs) bands (ev): -89.1222 -89.1222 -89.1204 -89.1204 -88.8706 -88.8706 -88.8607 -88.8607 -88.8607 -88.8607 -51.3184 -51.3184 -25.6611 -25.6611 -17.9933 -17.9933 -17.9350 -17.9350 1.4800 1.4800 5.5486 5.5486 6.8325 6.8325 6.9279 6.9279 7.0172 7.0172 8.5205 8.5205 8.6804 8.6804 11.7179 11.7179 13.3765 13.3765 13.8295 13.8295 13.9771 13.9771 k = 0.0000 0.0000 0.3834 ( 5125 PWs) bands (ev): -89.1222 -89.1222 -89.1204 -89.1204 -88.8706 -88.8706 -88.8607 -88.8607 -88.8607 -88.8607 -51.3183 -51.3183 -25.6619 -25.6619 -17.9924 -17.9924 -17.9397 -17.9397 1.5434 1.5434 5.4198 5.4198 6.8429 6.8429 6.9433 6.9433 7.0330 7.0330 8.4924 8.4924 8.6437 8.6437 11.8637 11.8637 13.4112 13.4112 13.8733 13.8733 13.9090 13.9090 k = 0.0000 0.0000 0.3976 ( 5143 PWs) bands (ev): -89.1222 -89.1222 -89.1204 -89.1204 -88.8707 -88.8707 -88.8607 -88.8607 -88.8607 -88.8607 -51.3181 -51.3181 -25.6627 -25.6627 -17.9915 -17.9915 -17.9443 -17.9443 1.6088 1.6088 5.2919 5.2919 6.8532 6.8532 6.9586 6.9586 7.0486 7.0486 8.4652 8.4652 8.6081 8.6081 12.0122 12.0122 13.4469 13.4469 13.8434 13.8434 13.9169 13.9169 k = 0.0000 0.0000 0.4118 ( 5143 PWs) bands (ev): -89.1222 -89.1222 -89.1204 -89.1204 -88.8707 -88.8707 -88.8607 -88.8607 -88.8607 -88.8607 -51.3179 -51.3179 -25.6635 -25.6635 -17.9907 -17.9907 -17.9487 -17.9487 1.6762 1.6762 5.1652 5.1652 6.8634 6.8634 6.9737 6.9737 7.0640 7.0640 8.4388 8.4388 8.5737 8.5737 12.1632 12.1632 13.4836 13.4836 13.7804 13.7804 13.9601 13.9601 k = 0.0000 0.0000 0.4260 ( 5143 PWs) bands (ev): -89.1222 -89.1222 -89.1204 -89.1204 -88.8707 -88.8707 -88.8607 -88.8607 -88.8607 -88.8607 -51.3177 -51.3177 -25.6642 -25.6642 -17.9899 -17.9899 -17.9530 -17.9530 1.7456 1.7456 5.0397 5.0397 6.8733 6.8733 6.9885 6.9885 7.0792 7.0792 8.4134 8.4134 8.5408 8.5408 12.3162 12.3162 13.5216 13.5216 13.7203 13.7203 14.0026 14.0026 k = 0.0000 0.0000 0.4402 ( 5143 PWs) bands (ev): -89.1221 -89.1221 -89.1204 -89.1204 -88.8707 -88.8707 -88.8607 -88.8607 -88.8607 -88.8607 -51.3175 -51.3175 -25.6650 -25.6650 -17.9891 -17.9891 -17.9572 -17.9572 1.8169 1.8169 4.9154 4.9154 6.8830 6.8830 7.0029 7.0029 7.0939 7.0939 8.3891 8.3891 8.5093 8.5093 12.4703 12.4703 13.5613 13.5613 13.6631 13.6631 14.0440 14.0440 k = 0.0000 0.0000 0.4543 ( 5143 PWs) bands (ev): -89.1221 -89.1221 -89.1204 -89.1204 -88.8707 -88.8707 -88.8607 -88.8607 -88.8607 -88.8607 -51.3174 -51.3174 -25.6657 -25.6657 -17.9883 -17.9883 -17.9612 -17.9612 1.8900 1.8900 4.7926 4.7926 6.8923 6.8923 7.0168 7.0168 7.1082 7.1082 8.3659 8.3659 8.4795 8.4795 12.6247 12.6247 13.6034 13.6034 13.6089 13.6089 14.0737 14.0738 k = 0.0000 0.0000 0.4685 ( 5137 PWs) bands (ev): -89.1221 -89.1221 -89.1204 -89.1204 -88.8708 -88.8708 -88.8607 -88.8607 -88.8607 -88.8607 -51.3172 -51.3172 -25.6663 -25.6663 -17.9876 -17.9876 -17.9649 -17.9649 1.9649 1.9649 4.6713 4.6713 6.9013 6.9013 7.0302 7.0302 7.1219 7.1219 8.3439 8.3439 8.4513 8.4513 12.7776 12.7776 13.5580 13.5580 13.6492 13.6492 14.0201 14.0201 k = 0.0000 0.0000 0.4827 ( 5137 PWs) bands (ev): -89.1221 -89.1221 -89.1204 -89.1204 -88.8708 -88.8708 -88.8607 -88.8607 -88.8607 -88.8607 -51.3171 -51.3171 -25.6670 -25.6670 -17.9869 -17.9869 -17.9685 -17.9685 2.0415 2.0415 4.5516 4.5516 6.9098 6.9098 7.0430 7.0430 7.1350 7.1350 8.3233 8.3233 8.4249 8.4249 12.9269 12.9269 13.5104 13.5104 13.7006 13.7006 13.9650 13.9671 k = 0.0000 0.0000 0.4969 ( 5113 PWs) bands (ev): -89.1220 -89.1220 -89.1203 -89.1203 -88.8708 -88.8708 -88.8607 -88.8607 -88.8607 -88.8607 -51.3169 -51.3169 -25.6676 -25.6676 -17.9862 -17.9862 -17.9718 -17.9718 2.1196 2.1196 4.4337 4.4337 6.9179 6.9179 7.0551 7.0551 7.1474 7.1474 8.3041 8.3041 8.4003 8.4003 13.0690 13.0690 13.4663 13.4663 13.7608 13.7608 13.9134 13.9136 k = 0.0000 0.0000 0.5111 ( 5125 PWs) bands (ev): -89.1220 -89.1220 -89.1203 -89.1203 -88.8708 -88.8708 -88.8607 -88.8607 -88.8607 -88.8607 -51.3168 -51.3168 -25.6681 -25.6681 -17.9856 -17.9856 -17.9750 -17.9750 2.1992 2.1992 4.3177 4.3177 6.9254 6.9254 7.0664 7.0664 7.1591 7.1591 8.2863 8.2863 8.3776 8.3776 13.1990 13.1990 13.4256 13.4256 13.8341 13.8341 13.8660 13.8673 k = 0.0000 0.0000 0.5253 ( 5124 PWs) bands (ev): -89.1220 -89.1220 -89.1203 -89.1203 -88.8708 -88.8708 -88.8607 -88.8607 -88.8607 -88.8607 -51.3167 -51.3167 -25.6686 -25.6686 -17.9851 -17.9851 -17.9778 -17.9778 2.2800 2.2800 4.2038 4.2038 6.9324 6.9324 7.0769 7.0769 7.1698 7.1698 8.2700 8.2700 8.3570 8.3570 13.3116 13.3116 13.3885 13.3885 13.8227 13.8227 13.8240 13.8240 k = 0.0000 0.0000 0.5395 ( 5136 PWs) bands (ev): -89.1220 -89.1220 -89.1203 -89.1203 -88.8708 -88.8708 -88.8607 -88.8607 -88.8607 -88.8607 -51.3166 -51.3166 -25.6691 -25.6691 -17.9846 -17.9846 -17.9804 -17.9804 2.3618 2.3618 4.0924 4.0924 6.9388 6.9388 7.0865 7.0865 7.1797 7.1797 8.2553 8.2553 8.3383 8.3383 13.3551 13.3551 13.4032 13.4032 13.7836 13.7836 13.7847 13.7847 k = 0.0000 0.0000 0.5537 ( 5136 PWs) bands (ev): -89.1220 -89.1220 -89.1203 -89.1203 -88.8709 -88.8709 -88.8607 -88.8607 -88.8607 -88.8607 -51.3165 -51.3165 -25.6695 -25.6695 -17.9841 -17.9841 -17.9827 -17.9827 2.4442 2.4442 3.9839 3.9839 6.9445 6.9445 7.0951 7.0951 7.1885 7.1885 8.2422 8.2422 8.3217 8.3217 13.3255 13.3255 13.4739 13.4739 13.7489 13.7489 13.7497 13.7497 k = 0.0000 0.0000 0.5679 ( 5148 PWs) bands (ev): -89.1220 -89.1220 -89.1203 -89.1203 -88.8709 -88.8709 -88.8607 -88.8607 -88.8607 -88.8607 -51.3164 -51.3164 -25.6699 -25.6699 -17.9848 -17.9848 -17.9837 -17.9837 2.5267 2.5267 3.8787 3.8787 6.9495 6.9495 7.1027 7.1027 7.1963 7.1963 8.2308 8.2308 8.3073 8.3073 13.2997 13.2997 13.5271 13.5271 13.7186 13.7186 13.7192 13.7192 k = 0.0000 0.0000 0.5821 ( 5148 PWs) bands (ev): -89.1220 -89.1220 -89.1203 -89.1203 -88.8709 -88.8709 -88.8607 -88.8607 -88.8607 -88.8607 -51.3163 -51.3163 -25.6702 -25.6702 -17.9865 -17.9865 -17.9834 -17.9834 2.6083 2.6083 3.7779 3.7779 6.9538 6.9538 7.1092 7.1092 7.2030 7.2030 8.2211 8.2211 8.2950 8.2950 13.2777 13.2777 13.5668 13.5668 13.6929 13.6929 13.6933 13.6933 k = 0.0000 0.0000 0.5963 ( 5142 PWs) bands (ev): -89.1220 -89.1220 -89.1203 -89.1203 -88.8709 -88.8709 -88.8607 -88.8607 -88.8607 -88.8607 -51.3163 -51.3163 -25.6705 -25.6705 -17.9879 -17.9879 -17.9831 -17.9831 2.6875 2.6875 3.6830 3.6830 6.9574 6.9574 7.1146 7.1146 7.2086 7.2086 8.2131 8.2131 8.2849 8.2849 13.2597 13.2597 13.5961 13.5961 13.6718 13.6718 13.6720 13.6720 k = 0.0000 0.0000 0.6105 ( 5142 PWs) bands (ev): -89.1220 -89.1220 -89.1203 -89.1203 -88.8709 -88.8709 -88.8607 -88.8607 -88.8607 -88.8607 -51.3162 -51.3162 -25.6707 -25.6707 -17.9890 -17.9890 -17.9829 -17.9829 2.7615 2.7615 3.5967 3.5967 6.9602 6.9602 7.1188 7.1188 7.2129 7.2129 8.2068 8.2068 8.2770 8.2770 13.2456 13.2456 13.6173 13.6173 13.6553 13.6553 13.6554 13.6554 k = 0.0000 0.0000 0.6247 ( 5142 PWs) bands (ev): -89.1220 -89.1220 -89.1204 -89.1204 -88.8709 -88.8709 -88.8607 -88.8607 -88.8607 -88.8607 -51.3162 -51.3162 -25.6708 -25.6708 -17.9898 -17.9898 -17.9827 -17.9827 2.8255 2.8255 3.5239 3.5239 6.9622 6.9622 7.1218 7.1218 7.2161 7.2161 8.2024 8.2024 8.2714 8.2714 13.2356 13.2356 13.6317 13.6317 13.6435 13.6435 13.6435 13.6435 k = 0.0000 0.0000 0.6389 ( 5142 PWs) bands (ev): -89.1219 -89.1219 -89.1204 -89.1204 -88.8709 -88.8709 -88.8607 -88.8607 -88.8607 -88.8607 -51.3162 -51.3162 -25.6709 -25.6709 -17.9903 -17.9903 -17.9826 -17.9826 2.8714 2.8714 3.4728 3.4728 6.9634 6.9634 7.1237 7.1237 7.2179 7.2179 8.1997 8.1997 8.2680 8.2680 13.2295 13.2295 13.6364 13.6364 13.6364 13.6364 13.6401 13.6401 k = 0.0000 0.0000 0.6531 ( 5142 PWs) bands (ev): -89.1219 -89.1219 -89.1204 -89.1204 -88.8709 -88.8709 -88.8607 -88.8607 -88.8607 -88.8607 -51.3162 -51.3162 -25.6709 -25.6709 -17.9904 -17.9904 -17.9826 -17.9826 2.8885 2.8885 3.4539 3.4539 6.9639 6.9639 7.1243 7.1243 7.2186 7.2186 8.1988 8.1988 8.2669 8.2669 13.2275 13.2275 13.6340 13.6340 13.6340 13.6340 13.6428 13.6428 k = 0.0000 0.0000 0.6531 ( 5142 PWs) bands (ev): -89.1219 -89.1219 -89.1204 -89.1204 -88.8709 -88.8709 -88.8607 -88.8607 -88.8607 -88.8607 -51.3162 -51.3162 -25.6709 -25.6709 -17.9904 -17.9904 -17.9826 -17.9826 2.8885 2.8885 3.4539 3.4539 6.9639 6.9639 7.1243 7.1243 7.2186 7.2186 8.1988 8.1988 8.2669 8.2669 13.2275 13.2275 13.6340 13.6340 13.6340 13.6340 13.6428 13.6428 k = 0.0122 0.0070 0.6531 ( 5142 PWs) bands (ev): -89.1219 -89.1219 -89.1204 -89.1204 -88.8709 -88.8709 -88.8607 -88.8607 -88.8607 -88.8607 -51.3162 -51.3162 -25.6709 -25.6709 -17.9905 -17.9905 -17.9826 -17.9826 2.8900 2.8900 3.4543 3.4543 6.9623 6.9623 7.1240 7.1240 7.2185 7.2185 8.1982 8.1982 8.2663 8.2663 13.2310 13.2310 13.6359 13.6359 13.6361 13.6361 13.6395 13.6395 k = 0.0244 0.0141 0.6531 ( 5134 PWs) bands (ev): -89.1219 -89.1219 -89.1204 -89.1204 -88.8709 -88.8709 -88.8607 -88.8607 -88.8607 -88.8607 -51.3162 -51.3162 -25.6709 -25.6709 -17.9905 -17.9905 -17.9827 -17.9827 2.8946 2.8946 3.4556 3.4556 6.9576 6.9576 7.1230 7.1230 7.2185 7.2185 8.1966 8.1966 8.2645 8.2645 13.2416 13.2416 13.6153 13.6153 13.6424 13.6424 13.6558 13.6558 k = 0.0366 0.0211 0.6531 ( 5130 PWs) bands (ev): -89.1219 -89.1219 -89.1204 -89.1204 -88.8709 -88.8709 -88.8607 -88.8607 -88.8607 -88.8607 -51.3162 -51.3162 -25.6710 -25.6710 -17.9905 -17.9905 -17.9828 -17.9828 2.9023 2.9023 3.4577 3.4577 6.9498 6.9498 7.1204 7.1204 7.2193 7.2193 8.1939 8.1939 8.2617 8.2617 13.2590 13.2590 13.5810 13.5810 13.6528 13.6528 13.6827 13.6827 k = 0.0488 0.0282 0.6531 ( 5130 PWs) bands (ev): -89.1219 -89.1219 -89.1204 -89.1204 -88.8708 -88.8708 -88.8607 -88.8607 -88.8607 -88.8607 -51.3162 -51.3162 -25.6710 -25.6710 -17.9905 -17.9905 -17.9830 -17.9830 2.9130 2.9130 3.4607 3.4607 6.9386 6.9386 7.1153 7.1153 7.2220 7.2220 8.1905 8.1905 8.2581 8.2581 13.2831 13.2831 13.5336 13.5336 13.6674 13.6674 13.7198 13.7198 k = 0.0610 0.0352 0.6531 ( 5130 PWs) bands (ev): -89.1219 -89.1219 -89.1204 -89.1204 -88.8708 -88.8708 -88.8608 -88.8608 -88.8607 -88.8607 -51.3162 -51.3162 -25.6710 -25.6710 -17.9906 -17.9906 -17.9832 -17.9832 2.9268 2.9268 3.4645 3.4645 6.9240 6.9240 7.1068 7.1068 7.2277 7.2277 8.1865 8.1865 8.2538 8.2538 13.3128 13.3128 13.4742 13.4742 13.6861 13.6861 13.7667 13.7667 k = 0.0732 0.0422 0.6531 ( 5126 PWs) bands (ev): -89.1219 -89.1219 -89.1204 -89.1204 -88.8708 -88.8708 -88.8608 -88.8608 -88.8607 -88.8607 -51.3161 -51.3161 -25.6711 -25.6711 -17.9906 -17.9906 -17.9835 -17.9835 2.9435 2.9435 3.4691 3.4691 6.9057 6.9057 7.0942 7.0942 7.2367 7.2367 8.1822 8.1822 8.2490 8.2490 13.3408 13.3408 13.4106 13.4106 13.7088 13.7088 13.8225 13.8225 k = 0.0854 0.0493 0.6531 ( 5126 PWs) bands (ev): -89.1219 -89.1219 -89.1204 -89.1204 -88.8707 -88.8707 -88.8609 -88.8609 -88.8607 -88.8607 -51.3161 -51.3161 -25.6711 -25.6711 -17.9907 -17.9907 -17.9838 -17.9838 2.9633 2.9633 3.4747 3.4747 6.8836 6.8836 7.0775 7.0775 7.2493 7.2493 8.1778 8.1778 8.2441 8.2441 13.2997 13.2997 13.4105 13.4105 13.7355 13.7355 13.8860 13.8860 k = 0.0976 0.0563 0.6531 ( 5130 PWs) bands (ev): -89.1219 -89.1219 -89.1204 -89.1204 -88.8707 -88.8707 -88.8609 -88.8609 -88.8607 -88.8607 -51.3161 -51.3161 -25.6712 -25.6712 -17.9908 -17.9908 -17.9841 -17.9841 2.9861 2.9861 3.4811 3.4811 6.8576 6.8576 7.0571 7.0571 7.2652 7.2652 8.1736 8.1736 8.2395 8.2395 13.2075 13.2075 13.4569 13.4569 13.7661 13.7661 13.9476 13.9476 k = 0.1098 0.0634 0.6531 ( 5130 PWs) bands (ev): -89.1219 -89.1219 -89.1204 -89.1204 -88.8706 -88.8706 -88.8610 -88.8610 -88.8607 -88.8607 -51.3161 -51.3161 -25.6712 -25.6712 -17.9909 -17.9909 -17.9845 -17.9845 3.0119 3.0119 3.4884 3.4884 6.8277 6.8277 7.0332 7.0332 7.2842 7.2842 8.1697 8.1697 8.2355 8.2355 13.1022 13.1022 13.5123 13.5123 13.8005 13.8005 13.8742 13.8742 k = 0.1220 0.0704 0.6531 ( 5134 PWs) bands (ev): -89.1219 -89.1219 -89.1204 -89.1204 -88.8706 -88.8706 -88.8610 -88.8610 -88.8607 -88.8607 -51.3161 -51.3161 -25.6713 -25.6713 -17.9910 -17.9910 -17.9849 -17.9849 3.0405 3.0405 3.4965 3.4965 6.7936 6.7936 7.0061 7.0061 7.3061 7.3061 8.1659 8.1659 8.2328 8.2328 12.9878 12.9878 13.5715 13.5715 13.7871 13.7871 13.8391 13.8391 k = 0.1341 0.0774 0.6531 ( 5130 PWs) bands (ev): -89.1219 -89.1219 -89.1204 -89.1204 -88.8705 -88.8705 -88.8611 -88.8611 -88.8607 -88.8607 -51.3161 -51.3161 -25.6714 -25.6714 -17.9912 -17.9912 -17.9853 -17.9853 3.0721 3.0721 3.5056 3.5056 6.7557 6.7557 6.9760 6.9760 7.3306 7.3306 8.1618 8.1618 8.2321 8.2321 12.8664 12.8664 13.6149 13.6149 13.7204 13.7204 13.8808 13.8808 k = 0.1463 0.0845 0.6531 ( 5128 PWs) bands (ev): -89.1219 -89.1219 -89.1204 -89.1204 -88.8704 -88.8704 -88.8612 -88.8612 -88.8607 -88.8607 -51.3161 -51.3161 -25.6715 -25.6715 -17.9913 -17.9913 -17.9857 -17.9857 3.1066 3.1066 3.5156 3.5156 6.7138 6.7138 6.9431 6.9431 7.3577 7.3577 8.1571 8.1571 8.2342 8.2342 12.7396 12.7396 13.5675 13.5675 13.7489 13.7489 13.9262 13.9262 k = 0.1585 0.0915 0.6531 ( 5128 PWs) bands (ev): -89.1219 -89.1219 -89.1204 -89.1204 -88.8704 -88.8704 -88.8612 -88.8612 -88.8607 -88.8607 -51.3161 -51.3161 -25.6716 -25.6716 -17.9915 -17.9915 -17.9862 -17.9862 3.1438 3.1438 3.5265 3.5265 6.6684 6.6684 6.9077 6.9077 7.3871 7.3871 8.1515 8.1515 8.2397 8.2397 12.6087 12.6087 13.4781 13.4781 13.8239 13.8239 13.9750 13.9750 k = 0.1707 0.0986 0.6531 ( 5128 PWs) bands (ev): -89.1218 -89.1218 -89.1204 -89.1204 -88.8703 -88.8703 -88.8613 -88.8613 -88.8607 -88.8607 -51.3161 -51.3161 -25.6717 -25.6717 -17.9917 -17.9917 -17.9866 -17.9866 3.1839 3.1839 3.5383 3.5383 6.6195 6.6195 6.8697 6.8697 7.4187 7.4187 8.1447 8.1447 8.2487 8.2487 12.4751 12.4751 13.3821 13.3821 13.9100 13.9100 14.0271 14.0271 k = 0.1829 0.1056 0.6531 ( 5124 PWs) bands (ev): -89.1218 -89.1218 -89.1205 -89.1205 -88.8702 -88.8702 -88.8614 -88.8614 -88.8607 -88.8607 -51.3161 -51.3161 -25.6717 -25.6717 -17.9920 -17.9920 -17.9871 -17.9871 3.2266 3.2266 3.5511 3.5511 6.5676 6.5676 6.8294 6.8294 7.4525 7.4525 8.1370 8.1370 8.2613 8.2613 12.3399 12.3399 13.2836 13.2836 14.0029 14.0029 14.0824 14.0824 k = 0.1951 0.1127 0.6531 ( 5116 PWs) bands (ev): -89.1218 -89.1218 -89.1205 -89.1205 -88.8701 -88.8701 -88.8615 -88.8615 -88.8607 -88.8607 -51.3161 -51.3161 -25.6718 -25.6718 -17.9923 -17.9923 -17.9875 -17.9875 3.2720 3.2720 3.5649 3.5649 6.5130 6.5130 6.7868 6.7868 7.4884 7.4884 8.1284 8.1284 8.2772 8.2772 12.2042 12.2042 13.1837 13.1837 14.1014 14.1014 14.1406 14.1406 k = 0.2073 0.1197 0.6531 ( 5112 PWs) bands (ev): -89.1218 -89.1218 -89.1205 -89.1205 -88.8700 -88.8700 -88.8616 -88.8616 -88.8607 -88.8607 -51.3161 -51.3161 -25.6719 -25.6719 -17.9926 -17.9926 -17.9879 -17.9879 3.3199 3.3199 3.5796 3.5796 6.4561 6.4561 6.7420 6.7420 7.5261 7.5261 8.1193 8.1193 8.2961 8.2961 12.0687 12.0687 13.0829 13.0829 14.2012 14.2012 14.2036 14.2036 k = 0.2195 0.1267 0.6531 ( 5112 PWs) bands (ev): -89.1218 -89.1218 -89.1205 -89.1205 -88.8699 -88.8699 -88.8617 -88.8617 -88.8607 -88.8607 -51.3161 -51.3161 -25.6720 -25.6720 -17.9930 -17.9930 -17.9883 -17.9883 3.3702 3.3702 3.5954 3.5954 6.3972 6.3972 6.6951 6.6951 7.5656 7.5656 8.1098 8.1098 8.3179 8.3179 11.9343 11.9343 12.9815 12.9815 14.2287 14.2287 14.2679 14.2679 k = 0.2317 0.1338 0.6531 ( 5112 PWs) bands (ev): -89.1218 -89.1218 -89.1205 -89.1205 -88.8698 -88.8698 -88.8618 -88.8618 -88.8607 -88.8607 -51.3161 -51.3161 -25.6722 -25.6722 -17.9934 -17.9934 -17.9886 -17.9886 3.4228 3.4228 3.6123 3.6123 6.3369 6.3369 6.6461 6.6461 7.6067 7.6067 8.1000 8.1000 8.3422 8.3422 11.8017 11.8017 12.8798 12.8798 14.1738 14.1738 14.3330 14.3330 k = 0.2439 0.1408 0.6531 ( 5116 PWs) bands (ev): -89.1217 -89.1217 -89.1205 -89.1205 -88.8697 -88.8697 -88.8619 -88.8619 -88.8607 -88.8607 -51.3161 -51.3161 -25.6723 -25.6723 -17.9938 -17.9938 -17.9890 -17.9890 3.4773 3.4773 3.6306 3.6306 6.2753 6.2753 6.5951 6.5951 7.6493 7.6493 8.0900 8.0900 8.3688 8.3688 11.6716 11.6716 12.7781 12.7781 14.1110 14.1110 14.4016 14.4016 k = 0.2561 0.1479 0.6531 ( 5110 PWs) bands (ev): -89.1217 -89.1217 -89.1206 -89.1206 -88.8695 -88.8695 -88.8620 -88.8620 -88.8607 -88.8607 -51.3161 -51.3161 -25.6724 -25.6724 -17.9943 -17.9943 -17.9892 -17.9892 3.5331 3.5331 3.6508 3.6508 6.2130 6.2130 6.5421 6.5421 7.6933 7.6933 8.0801 8.0801 8.3973 8.3973 11.5444 11.5444 12.6766 12.6766 14.0450 14.0450 14.4724 14.4724 k = 0.2683 0.1549 0.6531 ( 5114 PWs) bands (ev): -89.1217 -89.1217 -89.1206 -89.1206 -88.8694 -88.8694 -88.8622 -88.8622 -88.8607 -88.8607 -51.3161 -51.3161 -25.6725 -25.6725 -17.9948 -17.9948 -17.9895 -17.9895 3.5886 3.5886 3.6744 3.6744 6.1504 6.1504 6.4872 6.4872 7.7384 7.7384 8.0701 8.0701 8.4274 8.4274 11.4206 11.4206 12.5757 12.5757 13.9772 13.9772 14.5451 14.5451 k = 0.2805 0.1619 0.6531 ( 5118 PWs) bands (ev): -89.1217 -89.1217 -89.1206 -89.1206 -88.8693 -88.8693 -88.8623 -88.8623 -88.8607 -88.8607 -51.3161 -51.3161 -25.6726 -25.6726 -17.9954 -17.9954 -17.9897 -17.9897 3.6392 3.6392 3.7057 3.7057 6.0876 6.0876 6.4304 6.4304 7.7844 7.7844 8.0604 8.0604 8.4590 8.4590 11.3009 11.3009 12.4758 12.4758 13.9087 13.9087 14.6195 14.6195 k = 0.2927 0.1690 0.6531 ( 5126 PWs) bands (ev): -89.1217 -89.1217 -89.1206 -89.1206 -88.8692 -88.8692 -88.8624 -88.8624 -88.8607 -88.8607 -51.3161 -51.3161 -25.6727 -25.6727 -17.9960 -17.9960 -17.9899 -17.9899 3.6779 3.6779 3.7518 3.7518 6.0252 6.0252 6.3717 6.3717 7.8311 7.8311 8.0509 8.0509 8.4916 8.4916 11.1854 11.1854 12.3770 12.3770 13.8404 13.8404 14.6953 14.6953 k = 0.3049 0.1760 0.6531 ( 5126 PWs) bands (ev): -89.1217 -89.1217 -89.1206 -89.1206 -88.8690 -88.8690 -88.8625 -88.8625 -88.8607 -88.8607 -51.3161 -51.3161 -25.6728 -25.6728 -17.9965 -17.9965 -17.9901 -17.9901 3.7063 3.7063 3.8107 3.8107 5.9634 5.9634 6.3112 6.3112 7.8781 7.8781 8.0417 8.0417 8.5251 8.5251 11.0747 11.0747 12.2799 12.2799 13.7728 13.7728 14.7721 14.7721 k = 0.3171 0.1831 0.6531 ( 5126 PWs) bands (ev): -89.1216 -89.1216 -89.1207 -89.1207 -88.8689 -88.8689 -88.8627 -88.8627 -88.8607 -88.8607 -51.3161 -51.3161 -25.6729 -25.6729 -17.9971 -17.9971 -17.9902 -17.9902 3.7307 3.7307 3.8761 3.8761 5.9026 5.9026 6.2489 6.2489 7.9251 7.9251 8.0333 8.0333 8.5591 8.5591 10.9691 10.9691 12.1847 12.1847 13.7064 13.7064 14.8497 14.8497 k = 0.3293 0.1901 0.6531 ( 5124 PWs) bands (ev): -89.1216 -89.1216 -89.1207 -89.1207 -88.8688 -88.8688 -88.8628 -88.8628 -88.8607 -88.8607 -51.3160 -51.3160 -25.6730 -25.6730 -17.9976 -17.9976 -17.9904 -17.9904 3.7537 3.7537 3.9450 3.9450 5.8430 5.8430 6.1848 6.1848 7.9705 7.9705 8.0266 8.0266 8.5932 8.5932 10.8689 10.8689 12.0918 12.0918 13.6419 13.6419 14.9276 14.9276 k = 0.3415 0.1971 0.6531 ( 5130 PWs) bands (ev): -89.1216 -89.1216 -89.1207 -89.1207 -88.8687 -88.8687 -88.8629 -88.8629 -88.8607 -88.8607 -51.3160 -51.3160 -25.6731 -25.6731 -17.9982 -17.9982 -17.9905 -17.9905 3.7761 3.7761 4.0164 4.0164 5.7849 5.7849 6.1191 6.1191 8.0028 8.0028 8.0331 8.0331 8.6273 8.6273 10.7744 10.7744 12.0018 12.0018 13.5796 13.5796 15.0054 15.0054 k = 0.3537 0.2042 0.6531 ( 5126 PWs) bands (ev): -89.1216 -89.1216 -89.1207 -89.1207 -88.8685 -88.8685 -88.8631 -88.8631 -88.8607 -88.8607 -51.3160 -51.3160 -25.6732 -25.6732 -17.9987 -17.9987 -17.9906 -17.9906 3.7982 3.7982 4.0898 4.0898 5.7287 5.7287 6.0519 6.0519 8.0028 8.0028 8.0715 8.0715 8.6610 8.6610 10.6859 10.6859 11.9149 11.9149 13.5199 13.5199 15.0827 15.0827 k = 0.3659 0.2112 0.6531 ( 5126 PWs) bands (ev): -89.1216 -89.1216 -89.1207 -89.1207 -88.8684 -88.8684 -88.8632 -88.8632 -88.8607 -88.8607 -51.3160 -51.3160 -25.6733 -25.6733 -17.9992 -17.9992 -17.9907 -17.9907 3.8198 3.8198 4.1648 4.1648 5.6747 5.6747 5.9832 5.9832 7.9968 7.9968 8.1153 8.1153 8.6939 8.6939 10.6036 10.6036 11.8318 11.8318 13.4632 13.4632 15.1588 15.1588 k = 0.3780 0.2183 0.6531 ( 5134 PWs) bands (ev): -89.1215 -89.1215 -89.1208 -89.1208 -88.8683 -88.8683 -88.8633 -88.8633 -88.8607 -88.8607 -51.3160 -51.3160 -25.6734 -25.6734 -17.9997 -17.9997 -17.9908 -17.9908 3.8410 3.8410 4.2411 4.2411 5.6230 5.6230 5.9134 5.9134 7.9904 7.9904 8.1584 8.1584 8.7257 8.7257 10.5277 10.5277 11.7529 11.7529 13.4099 13.4099 15.2332 15.2332 k = 0.3902 0.2253 0.6531 ( 5130 PWs) bands (ev): -89.1215 -89.1215 -89.1208 -89.1208 -88.8681 -88.8681 -88.8634 -88.8634 -88.8607 -88.8607 -51.3160 -51.3160 -25.6734 -25.6734 -18.0001 -18.0001 -17.9909 -17.9909 3.8615 3.8615 4.3186 4.3186 5.5740 5.5740 5.8426 5.8426 7.9843 7.9843 8.1998 8.1998 8.7562 8.7562 10.4585 10.4585 11.6788 11.6788 13.3605 13.3605 15.3051 15.3051 k = 0.4024 0.2323 0.6531 ( 5128 PWs) bands (ev): -89.1215 -89.1215 -89.1208 -89.1208 -88.8680 -88.8680 -88.8636 -88.8636 -88.8607 -88.8607 -51.3160 -51.3160 -25.6735 -25.6735 -18.0005 -18.0005 -17.9910 -17.9910 3.8810 3.8810 4.3969 4.3969 5.5276 5.5276 5.7714 5.7714 7.9787 7.9787 8.2387 8.2387 8.7848 8.7848 10.3961 10.3961 11.6101 11.6101 13.3151 13.3151 15.3736 15.3736 k = 0.4146 0.2394 0.6531 ( 5128 PWs) bands (ev): -89.1215 -89.1215 -89.1208 -89.1208 -88.8679 -88.8679 -88.8637 -88.8637 -88.8607 -88.8607 -51.3160 -51.3160 -25.6735 -25.6735 -18.0008 -18.0008 -17.9911 -17.9911 3.8994 3.8994 4.4757 4.4757 5.4839 5.4839 5.7004 5.7004 7.9737 7.9737 8.2747 8.2747 8.8113 8.8113 10.3407 10.3407 11.5473 11.5473 13.2742 13.2742 15.4379 15.4379 k = 0.4268 0.2464 0.6531 ( 5128 PWs) bands (ev): -89.1215 -89.1215 -89.1208 -89.1208 -88.8678 -88.8678 -88.8638 -88.8638 -88.8607 -88.8607 -51.3160 -51.3160 -25.6736 -25.6736 -18.0011 -18.0011 -17.9911 -17.9911 3.9162 3.9162 4.5546 4.5546 5.4424 5.4424 5.6308 5.6308 7.9692 7.9692 8.3072 8.3072 8.8353 8.8353 10.2923 10.2923 11.4912 11.4912 13.2381 13.2381 15.4969 15.4969 k = 0.4390 0.2535 0.6531 ( 5128 PWs) bands (ev): -89.1215 -89.1215 -89.1208 -89.1208 -88.8677 -88.8677 -88.8639 -88.8639 -88.8607 -88.8607 -51.3160 -51.3160 -25.6736 -25.6736 -18.0014 -18.0014 -17.9912 -17.9912 3.9312 3.9312 4.6331 4.6331 5.4018 5.4018 5.5650 5.5650 7.9654 7.9654 8.3357 8.3357 8.8564 8.8564 10.2513 10.2513 11.4424 11.4424 13.2070 13.2070 15.5492 15.5492 k = 0.4512 0.2605 0.6531 ( 5124 PWs) bands (ev): -89.1214 -89.1214 -89.1209 -89.1209 -88.8676 -88.8676 -88.8639 -88.8639 -88.8607 -88.8607 -51.3160 -51.3160 -25.6737 -25.6737 -18.0016 -18.0016 -17.9912 -17.9912 3.9441 3.9441 4.7103 4.7103 5.3596 5.3596 5.5066 5.5066 7.9623 7.9623 8.3597 8.3597 8.8743 8.8743 10.2175 10.2175 11.4014 11.4014 13.1812 13.1812 15.5931 15.5931 k = 0.4634 0.2676 0.6531 ( 5128 PWs) bands (ev): -89.1214 -89.1214 -89.1209 -89.1209 -88.8676 -88.8676 -88.8640 -88.8640 -88.8607 -88.8607 -51.3160 -51.3160 -25.6737 -25.6737 -18.0018 -18.0018 -17.9912 -17.9912 3.9545 3.9545 4.7844 4.7844 5.3129 5.3129 5.4604 5.4604 7.9598 7.9598 8.3789 8.3789 8.8886 8.8886 10.1912 10.1912 11.3689 11.3689 13.1609 13.1609 15.6248 15.6248 k = 0.4756 0.2746 0.6531 ( 5118 PWs) bands (ev): -89.1214 -89.1214 -89.1209 -89.1209 -88.8675 -88.8675 -88.8641 -88.8641 -88.8607 -88.8607 -51.3160 -51.3160 -25.6737 -25.6737 -18.0019 -18.0019 -17.9912 -17.9912 3.9621 3.9621 4.8523 4.8523 5.2628 5.2628 5.4291 5.4291 7.9581 7.9581 8.3929 8.3929 8.8991 8.8991 10.1723 10.1723 11.3453 11.3453 13.1462 13.1462 15.6385 15.6385 k = 0.4878 0.2816 0.6531 ( 5118 PWs) bands (ev): -89.1214 -89.1214 -89.1209 -89.1209 -88.8675 -88.8675 -88.8641 -88.8641 -88.8607 -88.8607 -51.3160 -51.3160 -25.6737 -25.6737 -18.0020 -18.0020 -17.9913 -17.9913 3.9668 3.9668 4.9057 4.9057 5.2186 5.2186 5.4116 5.4116 7.9570 7.9570 8.4014 8.4014 8.9055 8.9055 10.1610 10.1610 11.3309 11.3309 13.1374 13.1374 15.6422 15.6422 k = 0.5000 0.2887 0.6531 ( 5116 PWs) bands (ev): -89.1214 -89.1214 -89.1209 -89.1209 -88.8675 -88.8675 -88.8641 -88.8641 -88.8607 -88.8607 -51.3160 -51.3160 -25.6737 -25.6737 -18.0020 -18.0020 -17.9913 -17.9913 3.9683 3.9683 4.9278 4.9278 5.1993 5.1993 5.4060 5.4060 7.9567 7.9567 8.4042 8.4042 8.9076 8.9076 10.1572 10.1572 11.3261 11.3261 13.1345 13.1345 15.6431 15.6431 k = 0.5000 0.2887 0.6531 ( 5116 PWs) bands (ev): -89.1214 -89.1214 -89.1209 -89.1209 -88.8675 -88.8675 -88.8641 -88.8641 -88.8607 -88.8607 -51.3160 -51.3160 -25.6737 -25.6737 -18.0020 -18.0020 -17.9913 -17.9913 3.9683 3.9683 4.9278 4.9278 5.1993 5.1993 5.4060 5.4060 7.9567 7.9567 8.4042 8.4042 8.9076 8.9076 10.1572 10.1572 11.3261 11.3261 13.1345 13.1345 15.6431 15.6431 k = 0.4931 0.3007 0.6531 ( 5124 PWs) bands (ev): -89.1214 -89.1214 -89.1209 -89.1209 -88.8675 -88.8675 -88.8641 -88.8641 -88.8607 -88.8607 -51.3160 -51.3160 -25.6737 -25.6737 -18.0020 -18.0020 -17.9913 -17.9913 3.9693 3.9693 4.9296 4.9296 5.1996 5.1996 5.4042 5.4042 7.9547 7.9547 8.3958 8.3958 8.9106 8.9106 10.1680 10.1680 11.3264 11.3264 13.1246 13.1246 15.6397 15.6397 k = 0.4861 0.3127 0.6531 ( 5120 PWs) bands (ev): -89.1214 -89.1214 -89.1209 -89.1209 -88.8675 -88.8675 -88.8641 -88.8641 -88.8607 -88.8607 -51.3160 -51.3160 -25.6737 -25.6737 -18.0020 -18.0020 -17.9913 -17.9913 3.9723 3.9723 4.9351 4.9351 5.2003 5.2003 5.3987 5.3987 7.9489 7.9489 8.3707 8.3707 8.9204 8.9204 10.1996 10.1996 11.3271 11.3271 13.0956 13.0956 15.6341 15.6341 k = 0.4792 0.3248 0.6531 ( 5116 PWs) bands (ev): -89.1214 -89.1214 -89.1209 -89.1209 -88.8675 -88.8675 -88.8641 -88.8641 -88.8607 -88.8607 -51.3160 -51.3160 -25.6737 -25.6737 -18.0020 -18.0020 -17.9914 -17.9914 3.9773 3.9773 4.9442 4.9442 5.2013 5.2013 5.3900 5.3900 7.9395 7.9395 8.3292 8.3292 8.9385 8.9385 10.2494 10.2494 11.3284 11.3284 13.0489 13.0489 15.6292 15.6292 k = 0.4722 0.3368 0.6531 ( 5116 PWs) bands (ev): -89.1214 -89.1214 -89.1209 -89.1209 -88.8674 -88.8674 -88.8641 -88.8641 -88.8607 -88.8607 -51.3160 -51.3160 -25.6738 -25.6738 -18.0020 -18.0020 -17.9915 -17.9915 3.9843 3.9843 4.9568 4.9568 5.2022 5.2022 5.3785 5.3785 7.9266 7.9266 8.2730 8.2730 8.9663 8.9663 10.3141 10.3141 11.3302 11.3302 12.9863 12.9863 15.6247 15.6247 k = 0.4653 0.3488 0.6531 ( 5116 PWs) bands (ev): -89.1214 -89.1214 -89.1209 -89.1209 -88.8674 -88.8674 -88.8642 -88.8642 -88.8607 -88.8607 -51.3160 -51.3160 -25.6738 -25.6738 -18.0019 -18.0019 -17.9916 -17.9916 3.9932 3.9932 4.9730 4.9730 5.2023 5.2023 5.3652 5.3652 7.9102 7.9102 8.2050 8.2050 9.0040 9.0040 10.3904 10.3904 11.3326 11.3326 12.9103 12.9103 15.6199 15.6199 k = 0.4583 0.3608 0.6531 ( 5116 PWs) bands (ev): -89.1214 -89.1214 -89.1209 -89.1209 -88.8674 -88.8674 -88.8642 -88.8642 -88.8607 -88.8607 -51.3160 -51.3160 -25.6738 -25.6738 -18.0019 -18.0019 -17.9917 -17.9917 4.0042 4.0042 4.9924 4.9924 5.2005 5.2005 5.3515 5.3515 7.8889 7.8889 8.1297 8.1297 9.0510 9.0510 10.4749 10.4749 11.3356 11.3356 12.8231 12.8231 15.6145 15.6145 k = 0.4514 0.3729 0.6531 ( 5116 PWs) bands (ev): -89.1214 -89.1214 -89.1209 -89.1209 -88.8673 -88.8673 -88.8642 -88.8642 -88.8607 -88.8607 -51.3160 -51.3160 -25.6738 -25.6738 -18.0018 -18.0018 -17.9919 -17.9919 4.0171 4.0171 5.0151 5.0151 5.1950 5.1950 5.3396 5.3396 7.8591 7.8591 8.0539 8.0539 9.1064 9.1064 10.5649 10.5649 11.3395 11.3395 12.7268 12.7268 15.6082 15.6082 k = 0.4444 0.3849 0.6531 ( 5112 PWs) bands (ev): -89.1214 -89.1214 -89.1209 -89.1209 -88.8673 -88.8673 -88.8643 -88.8643 -88.8607 -88.8607 -51.3160 -51.3160 -25.6738 -25.6738 -18.0018 -18.0018 -17.9921 -17.9921 4.0320 4.0320 5.0404 5.0404 5.1842 5.1842 5.3318 5.3318 7.8127 7.8127 7.9882 7.9882 9.1693 9.1693 10.6581 10.6581 11.3442 11.3442 12.6233 12.6233 15.6008 15.6008 k = 0.4375 0.3969 0.6531 ( 5116 PWs) bands (ev): -89.1214 -89.1214 -89.1209 -89.1209 -88.8672 -88.8672 -88.8643 -88.8643 -88.8607 -88.8607 -51.3160 -51.3160 -25.6738 -25.6738 -18.0017 -18.0017 -17.9923 -17.9923 4.0488 4.0488 5.0674 5.0674 5.1675 5.1675 5.3297 5.3297 7.7426 7.7426 7.9418 7.9418 9.2388 9.2388 10.7524 10.7524 11.3500 11.3500 12.5142 12.5142 15.5920 15.5920 k = 0.4306 0.4090 0.6531 ( 5110 PWs) bands (ev): -89.1214 -89.1214 -89.1209 -89.1209 -88.8672 -88.8672 -88.8644 -88.8644 -88.8607 -88.8607 -51.3160 -51.3160 -25.6738 -25.6738 -18.0017 -18.0017 -17.9925 -17.9925 4.0676 4.0676 5.0918 5.0918 5.1494 5.1494 5.3336 5.3336 7.6533 7.6533 7.9119 7.9119 9.3140 9.3140 10.8458 10.8458 11.3571 11.3571 12.4009 12.4009 15.5816 15.5816 k = 0.4236 0.4210 0.6531 ( 5110 PWs) bands (ev): -89.1214 -89.1214 -89.1209 -89.1209 -88.8671 -88.8671 -88.8645 -88.8645 -88.8607 -88.8607 -51.3160 -51.3160 -25.6739 -25.6739 -18.0016 -18.0016 -17.9927 -17.9927 4.0884 4.0884 5.0915 5.0915 5.1525 5.1525 5.3429 5.3429 7.5535 7.5535 7.8911 7.8911 9.3943 9.3943 10.9367 10.9367 11.3660 11.3660 12.2846 12.2846 15.5695 15.5695 k = 0.4167 0.4330 0.6531 ( 5110 PWs) bands (ev): -89.1213 -89.1213 -89.1209 -89.1209 -88.8670 -88.8670 -88.8645 -88.8645 -88.8607 -88.8607 -51.3160 -51.3160 -25.6739 -25.6739 -18.0016 -18.0016 -17.9929 -17.9929 4.1111 4.1111 5.0633 5.0633 5.1810 5.1810 5.3569 5.3569 7.4484 7.4484 7.8753 7.8753 9.4791 9.4791 11.0230 11.0230 11.3770 11.3770 12.1661 12.1661 15.5554 15.5554 k = 0.4097 0.4450 0.6531 ( 5106 PWs) bands (ev): -89.1213 -89.1213 -89.1210 -89.1210 -88.8670 -88.8670 -88.8646 -88.8646 -88.8607 -88.8607 -51.3160 -51.3160 -25.6739 -25.6739 -18.0015 -18.0015 -17.9931 -17.9931 4.1358 4.1358 5.0268 5.0268 5.2152 5.2152 5.3754 5.3754 7.3411 7.3411 7.8623 7.8623 9.5680 9.5680 11.1025 11.1025 11.3912 11.3912 12.0462 12.0462 15.5392 15.5392 k = 0.4028 0.4571 0.6531 ( 5114 PWs) bands (ev): -89.1213 -89.1213 -89.1210 -89.1210 -88.8669 -88.8669 -88.8647 -88.8647 -88.8607 -88.8607 -51.3160 -51.3160 -25.6739 -25.6739 -18.0015 -18.0015 -17.9933 -17.9933 4.1623 4.1623 4.9868 4.9868 5.2503 5.2503 5.3987 5.3987 7.2330 7.2330 7.8514 7.8514 9.6604 9.6604 11.1727 11.1727 11.4097 11.4097 11.9259 11.9259 15.5211 15.5211 k = 0.3958 0.4691 0.6531 ( 5114 PWs) bands (ev): -89.1213 -89.1213 -89.1210 -89.1210 -88.8668 -88.8668 -88.8648 -88.8648 -88.8607 -88.8607 -51.3160 -51.3160 -25.6740 -25.6740 -18.0014 -18.0014 -17.9935 -17.9935 4.1908 4.1908 4.9444 4.9444 5.2844 5.2844 5.4273 5.4273 7.1255 7.1255 7.8421 7.8421 9.7561 9.7561 11.2306 11.2306 11.4341 11.4341 11.8060 11.8060 15.5010 15.5010 k = 0.3889 0.4811 0.6531 ( 5126 PWs) bands (ev): -89.1213 -89.1213 -89.1210 -89.1210 -88.8667 -88.8667 -88.8649 -88.8649 -88.8607 -88.8607 -51.3160 -51.3160 -25.6740 -25.6740 -18.0014 -18.0014 -17.9937 -17.9937 4.2212 4.2212 4.9005 4.9005 5.3162 5.3162 5.4611 5.4611 7.0196 7.0196 7.8342 7.8342 9.8546 9.8546 11.2739 11.2739 11.4646 11.4646 11.6878 11.6878 15.4795 15.4795 k = 0.3819 0.4932 0.6531 ( 5130 PWs) bands (ev): -89.1213 -89.1213 -89.1210 -89.1210 -88.8666 -88.8666 -88.8650 -88.8650 -88.8607 -88.8607 -51.3160 -51.3160 -25.6740 -25.6740 -18.0013 -18.0013 -17.9939 -17.9939 4.2534 4.2534 4.8554 4.8554 5.3454 5.3454 5.4995 5.4995 6.9166 6.9166 7.8274 7.8274 9.9557 9.9557 11.3013 11.3013 11.4980 11.4980 11.5752 11.5752 15.4572 15.4572 k = 0.3750 0.5052 0.6531 ( 5126 PWs) bands (ev): -89.1213 -89.1213 -89.1210 -89.1210 -88.8665 -88.8665 -88.8651 -88.8651 -88.8607 -88.8607 -51.3160 -51.3160 -25.6740 -25.6740 -18.0013 -18.0013 -17.9941 -17.9941 4.2876 4.2876 4.8095 4.8095 5.3724 5.3724 5.5409 5.5409 6.8177 6.8177 7.8217 7.8217 10.0590 10.0590 11.3057 11.3057 11.4730 11.4730 11.5363 11.5363 15.4350 15.4350 k = 0.3681 0.5172 0.6531 ( 5126 PWs) bands (ev): -89.1212 -89.1212 -89.1211 -89.1211 -88.8664 -88.8664 -88.8652 -88.8652 -88.8607 -88.8607 -51.3160 -51.3160 -25.6741 -25.6741 -18.0013 -18.0013 -17.9942 -17.9942 4.3235 4.3235 4.7632 4.7632 5.3974 5.3974 5.5830 5.5830 6.7247 6.7247 7.8170 7.8170 10.1644 10.1644 11.2589 11.2589 11.4230 11.4230 11.5650 11.5650 15.4139 15.4139 k = 0.3611 0.5292 0.6531 ( 5134 PWs) bands (ev): -89.1212 -89.1212 -89.1211 -89.1211 -88.8663 -88.8663 -88.8653 -88.8653 -88.8607 -88.8607 -51.3160 -51.3160 -25.6741 -25.6741 -18.0013 -18.0013 -17.9944 -17.9944 4.3613 4.3613 4.7165 4.7165 5.4209 5.4209 5.6232 5.6232 6.6402 6.6402 7.8133 7.8133 10.2714 10.2714 11.1637 11.1637 11.4184 11.4184 11.5880 11.5880 15.3951 15.3951 k = 0.3542 0.5413 0.6531 ( 5138 PWs) bands (ev): -89.1212 -89.1212 -89.1211 -89.1211 -88.8662 -88.8662 -88.8654 -88.8654 -88.8607 -88.8607 -51.3160 -51.3160 -25.6741 -25.6741 -18.0013 -18.0013 -17.9945 -17.9945 4.4009 4.4009 4.6698 4.6698 5.4427 5.4427 5.6582 5.6582 6.5675 6.5675 7.8104 7.8104 10.3798 10.3798 11.0542 11.0542 11.4274 11.4274 11.6033 11.6033 15.3795 15.3795 k = 0.3472 0.5533 0.6531 ( 5138 PWs) bands (ev): -89.1212 -89.1212 -89.1211 -89.1211 -88.8660 -88.8660 -88.8655 -88.8655 -88.8607 -88.8607 -51.3160 -51.3160 -25.6741 -25.6741 -18.0013 -18.0013 -17.9945 -17.9945 4.4423 4.4423 4.6232 4.6232 5.4618 5.4618 5.6844 5.6844 6.5110 6.5110 7.8084 7.8084 10.4891 10.4891 10.9418 10.9418 11.4387 11.4387 11.6110 11.6110 15.3680 15.3680 k = 0.3403 0.5653 0.6531 ( 5138 PWs) bands (ev): -89.1212 -89.1212 -89.1211 -89.1211 -88.8659 -88.8659 -88.8657 -88.8657 -88.8607 -88.8607 -51.3160 -51.3160 -25.6741 -25.6741 -18.0013 -18.0013 -17.9946 -17.9946 4.4853 4.4853 4.5770 4.5770 5.4764 5.4764 5.6991 5.6991 6.4750 6.4750 7.8072 7.8072 10.5981 10.5981 10.8304 10.8304 11.4484 11.4484 11.6128 11.6128 15.3610 15.3610 k = 0.3333 0.5774 0.6531 ( 5130 PWs) bands (ev): -89.1211 -89.1211 -89.1211 -89.1211 -88.8658 -88.8658 -88.8658 -88.8658 -88.8607 -88.8607 -51.3160 -51.3160 -25.6741 -25.6741 -18.0013 -18.0013 -17.9946 -17.9946 4.5247 4.5247 4.5365 4.5365 5.4825 5.4825 5.7029 5.7029 6.4629 6.4629 7.8068 7.8068 10.6836 10.6836 10.7441 10.7441 11.4525 11.4525 11.6123 11.6123 15.3588 15.3588 k = 0.3333 0.5774 0.6531 ( 5130 PWs) bands (ev): -89.1211 -89.1211 -89.1211 -89.1211 -88.8658 -88.8658 -88.8658 -88.8658 -88.8607 -88.8607 -51.3160 -51.3160 -25.6741 -25.6741 -18.0013 -18.0013 -17.9946 -17.9946 4.5247 4.5247 4.5365 4.5365 5.4825 5.4825 5.7029 5.7029 6.4629 6.4629 7.8068 7.8068 10.6836 10.6836 10.7441 10.7441 11.4525 11.4525 11.6123 11.6123 15.3588 15.3588 k = 0.3262 0.5651 0.6531 ( 5142 PWs) bands (ev): -89.1212 -89.1212 -89.1211 -89.1211 -88.8659 -88.8659 -88.8657 -88.8657 -88.8607 -88.8607 -51.3160 -51.3160 -25.6741 -25.6741 -18.0013 -18.0013 -17.9946 -17.9946 4.4837 4.4837 4.5786 4.5786 5.4737 5.4737 5.7020 5.7020 6.4749 6.4749 7.8072 7.8072 10.5963 10.5963 10.8323 10.8323 11.4467 11.4467 11.6147 11.6147 15.3610 15.3610 k = 0.3191 0.5528 0.6531 ( 5142 PWs) bands (ev): -89.1212 -89.1212 -89.1211 -89.1211 -88.8661 -88.8661 -88.8655 -88.8655 -88.8607 -88.8607 -51.3160 -51.3160 -25.6741 -25.6741 -18.0013 -18.0013 -17.9945 -17.9945 4.4381 4.4381 4.6279 4.6279 5.4435 5.4435 5.7054 5.7054 6.5080 6.5080 7.8084 7.8084 10.4862 10.4862 10.9447 10.9447 11.4277 11.4277 11.6245 11.6245 15.3673 15.3673 k = 0.3121 0.5405 0.6531 ( 5146 PWs) bands (ev): -89.1212 -89.1212 -89.1211 -89.1211 -88.8662 -88.8662 -88.8654 -88.8654 -88.8607 -88.8607 -51.3160 -51.3160 -25.6741 -25.6741 -18.0012 -18.0012 -17.9945 -17.9945 4.3930 4.3930 4.6789 4.6789 5.3921 5.3921 5.7178 5.7178 6.5574 6.5574 7.8105 7.8105 10.3766 10.3766 11.0568 11.0568 11.3972 11.3972 11.6424 11.6424 15.3769 15.3769 k = 0.3050 0.5282 0.6531 ( 5140 PWs) bands (ev): -89.1212 -89.1212 -89.1211 -89.1211 -88.8663 -88.8663 -88.8652 -88.8652 -88.8607 -88.8607 -51.3160 -51.3160 -25.6741 -25.6741 -18.0012 -18.0012 -17.9944 -17.9944 4.3486 4.3486 4.7317 4.7317 5.3248 5.3248 5.7379 5.7379 6.6184 6.6184 7.8133 7.8133 10.2686 10.2686 11.1635 11.1635 11.3624 11.3624 11.6672 11.6672 15.3889 15.3889 k = 0.2979 0.5159 0.6531 ( 5134 PWs) bands (ev): -89.1213 -89.1213 -89.1210 -89.1210 -88.8665 -88.8665 -88.8651 -88.8651 -88.8607 -88.8607 -51.3160 -51.3160 -25.6740 -25.6740 -18.0011 -18.0011 -17.9943 -17.9943 4.3052 4.3052 4.7861 4.7861 5.2474 5.2474 5.7634 5.7634 6.6874 6.6874 7.8169 7.8169 10.1626 10.1626 11.2357 11.2357 11.3547 11.3547 11.6975 11.6975 15.4025 15.4025 k = 0.2908 0.5036 0.6531 ( 5130 PWs) bands (ev): -89.1213 -89.1213 -89.1210 -89.1210 -88.8666 -88.8666 -88.8650 -88.8650 -88.8607 -88.8607 -51.3160 -51.3160 -25.6740 -25.6740 -18.0011 -18.0011 -17.9942 -17.9942 4.2626 4.2626 4.8422 4.8422 5.1639 5.1639 5.7925 5.7925 6.7616 6.7616 7.8213 7.8213 10.0586 10.0586 11.2188 11.2188 11.4303 11.4303 11.7330 11.7330 15.4168 15.4168 k = 0.2837 0.4914 0.6531 ( 5138 PWs) bands (ev): -89.1213 -89.1213 -89.1210 -89.1210 -88.8668 -88.8668 -88.8648 -88.8648 -88.8607 -88.8607 -51.3160 -51.3160 -25.6740 -25.6740 -18.0010 -18.0010 -17.9940 -17.9940 4.2210 4.2210 4.8996 4.8996 5.0767 5.0767 5.8242 5.8242 6.8391 6.8391 7.8266 7.8266 9.9569 9.9569 11.1701 11.1701 11.5330 11.5330 11.7745 11.7745 15.4310 15.4310 k = 0.2766 0.4791 0.6531 ( 5138 PWs) bands (ev): -89.1213 -89.1213 -89.1210 -89.1210 -88.8669 -88.8669 -88.8647 -88.8647 -88.8607 -88.8607 -51.3160 -51.3160 -25.6740 -25.6740 -18.0009 -18.0009 -17.9939 -17.9939 4.1805 4.1805 4.9574 4.9574 4.9889 4.9889 5.8578 5.8578 6.9182 6.9182 7.8327 7.8327 9.8574 9.8574 11.1162 11.1162 11.6350 11.6350 11.8244 11.8244 15.4448 15.4448 k = 0.2695 0.4668 0.6531 ( 5138 PWs) bands (ev): -89.1214 -89.1214 -89.1209 -89.1209 -88.8671 -88.8671 -88.8645 -88.8645 -88.8607 -88.8607 -51.3160 -51.3160 -25.6739 -25.6739 -18.0007 -18.0007 -17.9937 -17.9937 4.1409 4.1409 4.8967 4.8967 5.0200 5.0200 5.8930 5.8930 6.9976 6.9976 7.8396 7.8396 9.7603 9.7603 11.0623 11.0623 11.7274 11.7274 11.8877 11.8877 15.4576 15.4576 k = 0.2624 0.4545 0.6531 ( 5138 PWs) bands (ev): -89.1214 -89.1214 -89.1209 -89.1209 -88.8672 -88.8672 -88.8644 -88.8644 -88.8607 -88.8607 -51.3160 -51.3160 -25.6739 -25.6739 -18.0005 -18.0005 -17.9935 -17.9935 4.1025 4.1025 4.8067 4.8067 5.0818 5.0818 5.9294 5.9294 7.0759 7.0759 7.8474 7.8474 9.6656 9.6656 11.0112 11.0112 11.8045 11.8045 11.9691 11.9691 15.4691 15.4691 k = 0.2553 0.4422 0.6531 ( 5138 PWs) bands (ev): -89.1214 -89.1214 -89.1209 -89.1209 -88.8674 -88.8674 -88.8642 -88.8642 -88.8607 -88.8607 -51.3160 -51.3160 -25.6738 -25.6738 -18.0003 -18.0003 -17.9933 -17.9933 4.0652 4.0652 4.7169 4.7169 5.1450 5.1450 5.9670 5.9670 7.1520 7.1520 7.8561 7.8561 9.5734 9.5734 10.9646 10.9646 11.8685 11.8685 12.0657 12.0657 15.4792 15.4792 k = 0.2482 0.4299 0.6531 ( 5142 PWs) bands (ev): -89.1214 -89.1214 -89.1209 -89.1209 -88.8675 -88.8675 -88.8640 -88.8640 -88.8607 -88.8607 -51.3160 -51.3160 -25.6737 -25.6737 -18.0001 -18.0001 -17.9932 -17.9932 4.0290 4.0290 4.6278 4.6278 5.2094 5.2094 6.0056 6.0056 7.2248 7.2248 7.8655 7.8655 9.4838 9.4838 10.9242 10.9242 11.9259 11.9259 12.1708 12.1708 15.4878 15.4878 k = 0.2411 0.4177 0.6531 ( 5146 PWs) bands (ev): -89.1214 -89.1214 -89.1209 -89.1209 -88.8677 -88.8677 -88.8639 -88.8639 -88.8607 -88.8607 -51.3160 -51.3160 -25.6737 -25.6737 -17.9998 -17.9998 -17.9930 -17.9930 3.9939 3.9939 4.5399 4.5399 5.2751 5.2751 6.0451 6.0451 7.2934 7.2934 7.8758 7.8758 9.3967 9.3967 10.8916 10.8916 11.9812 11.9812 12.2795 12.2795 15.4947 15.4947 k = 0.2340 0.4054 0.6531 ( 5146 PWs) bands (ev): -89.1215 -89.1215 -89.1208 -89.1208 -88.8678 -88.8678 -88.8637 -88.8637 -88.8607 -88.8607 -51.3160 -51.3160 -25.6736 -25.6736 -17.9995 -17.9995 -17.9927 -17.9927 3.9599 3.9599 4.4532 4.4532 5.3418 5.3418 6.0853 6.0853 7.3566 7.3566 7.8867 7.8867 9.3123 9.3123 10.8680 10.8680 12.0366 12.0366 12.3895 12.3895 15.4999 15.4999 k = 0.2270 0.3931 0.6531 ( 5146 PWs) bands (ev): -89.1215 -89.1215 -89.1208 -89.1208 -88.8680 -88.8680 -88.8636 -88.8636 -88.8607 -88.8607 -51.3160 -51.3160 -25.6735 -25.6735 -17.9991 -17.9991 -17.9925 -17.9925 3.9270 3.9270 4.3681 4.3681 5.4096 5.4096 6.1262 6.1262 7.4137 7.4137 7.8981 7.8981 9.2305 9.2305 10.8549 10.8549 12.0930 12.0930 12.4997 12.4997 15.5034 15.5034 k = 0.2199 0.3808 0.6531 ( 5150 PWs) bands (ev): -89.1215 -89.1215 -89.1208 -89.1208 -88.8681 -88.8681 -88.8634 -88.8634 -88.8607 -88.8607 -51.3160 -51.3160 -25.6735 -25.6735 -17.9988 -17.9988 -17.9923 -17.9923 3.8953 3.8953 4.2847 4.2847 5.4781 5.4781 6.1678 6.1678 7.4641 7.4641 7.9099 7.9099 9.1515 9.1515 10.8531 10.8531 12.1509 12.1509 12.6093 12.6093 15.5048 15.5048 k = 0.2128 0.3685 0.6531 ( 5146 PWs) bands (ev): -89.1215 -89.1215 -89.1208 -89.1208 -88.8683 -88.8683 -88.8633 -88.8633 -88.8607 -88.8607 -51.3160 -51.3160 -25.6734 -25.6734 -17.9983 -17.9983 -17.9921 -17.9921 3.8646 3.8646 4.2031 4.2031 5.5475 5.5475 6.2099 6.2099 7.5072 7.5072 7.9217 7.9217 9.0753 9.0753 10.8637 10.8637 12.2105 12.2105 12.7179 12.7179 15.5040 15.5040 k = 0.2057 0.3562 0.6531 ( 5146 PWs) bands (ev): -89.1216 -89.1216 -89.1207 -89.1207 -88.8684 -88.8684 -88.8632 -88.8632 -88.8607 -88.8607 -51.3160 -51.3160 -25.6733 -25.6733 -17.9979 -17.9979 -17.9919 -17.9919 3.8349 3.8349 4.1235 4.1235 5.6175 5.6175 6.2525 6.2525 7.5429 7.5429 7.9333 7.9333 9.0020 9.0020 10.8871 10.8871 12.2720 12.2720 12.8252 12.8252 15.5002 15.5002 k = 0.1986 0.3440 0.6531 ( 5146 PWs) bands (ev): -89.1216 -89.1216 -89.1207 -89.1207 -88.8686 -88.8686 -88.8630 -88.8630 -88.8607 -88.8607 -51.3161 -51.3161 -25.6732 -25.6732 -17.9975 -17.9975 -17.9916 -17.9916 3.8062 3.8062 4.0461 4.0461 5.6880 5.6880 6.2955 6.2955 7.5710 7.5710 7.9446 7.9446 8.9315 8.9315 10.9237 10.9237 12.3354 12.3354 12.9307 12.9307 15.4922 15.4922 k = 0.1915 0.3317 0.6531 ( 5138 PWs) bands (ev): -89.1216 -89.1216 -89.1207 -89.1207 -88.8687 -88.8687 -88.8629 -88.8629 -88.8607 -88.8607 -51.3161 -51.3161 -25.6731 -25.6731 -17.9970 -17.9970 -17.9914 -17.9914 3.7782 3.7782 3.9713 3.9713 5.7588 5.7588 6.3388 6.3388 7.5917 7.5917 7.9555 7.9555 8.8641 8.8641 10.9734 10.9734 12.4007 12.4007 13.0342 13.0342 15.4771 15.4771 k = 0.1844 0.3194 0.6531 ( 5142 PWs) bands (ev): -89.1216 -89.1216 -89.1207 -89.1207 -88.8689 -88.8689 -88.8627 -88.8627 -88.8607 -88.8607 -51.3161 -51.3161 -25.6730 -25.6730 -17.9965 -17.9965 -17.9912 -17.9912 3.7505 3.7505 3.8993 3.8993 5.8298 5.8298 6.3822 6.3822 7.6052 7.6052 7.9659 7.9659 8.7996 8.7996 11.0359 11.0359 12.4679 12.4679 13.1352 13.1352 15.3752 15.3752 k = 0.1773 0.3071 0.6531 ( 5134 PWs) bands (ev): -89.1216 -89.1216 -89.1207 -89.1207 -88.8690 -88.8690 -88.8626 -88.8626 -88.8607 -88.8607 -51.3161 -51.3161 -25.6729 -25.6729 -17.9960 -17.9960 -17.9909 -17.9909 3.7223 3.7223 3.8312 3.8312 5.9008 5.9008 6.4258 6.4258 7.6119 7.6119 7.9762 7.9762 8.7383 8.7383 11.1106 11.1106 12.5370 12.5370 13.2334 13.2334 15.2337 15.2337 k = 0.1702 0.2948 0.6531 ( 5126 PWs) bands (ev): -89.1217 -89.1217 -89.1206 -89.1206 -88.8691 -88.8691 -88.8625 -88.8625 -88.8607 -88.8607 -51.3161 -51.3161 -25.6727 -25.6727 -17.9955 -17.9955 -17.9906 -17.9906 3.6911 3.6911 3.7695 3.7695 5.9716 5.9716 6.4694 6.4694 7.6120 7.6120 7.9865 7.9865 8.6801 8.6801 11.1967 11.1967 12.6080 12.6080 13.3283 13.3283 15.0954 15.0954 k = 0.1631 0.2825 0.6531 ( 5122 PWs) bands (ev): -89.1217 -89.1217 -89.1206 -89.1206 -88.8693 -88.8693 -88.8623 -88.8623 -88.8607 -88.8607 -51.3161 -51.3161 -25.6726 -25.6726 -17.9950 -17.9950 -17.9903 -17.9903 3.6513 3.6513 3.7199 3.7199 6.0420 6.0420 6.5130 6.5130 7.6062 7.6062 7.9971 7.9971 8.6252 8.6252 11.2932 11.2932 12.6807 12.6807 13.4191 13.4191 14.9606 14.9606 k = 0.1560 0.2702 0.6531 ( 5126 PWs) bands (ev): -89.1217 -89.1217 -89.1206 -89.1206 -88.8694 -88.8694 -88.8622 -88.8622 -88.8607 -88.8607 -51.3161 -51.3161 -25.6725 -25.6725 -17.9945 -17.9945 -17.9900 -17.9900 3.6002 3.6002 3.6850 3.6850 6.1117 6.1117 6.5563 6.5563 7.5950 7.5950 8.0082 8.0082 8.5736 8.5736 11.3992 11.3992 12.7551 12.7551 13.5052 13.5052 14.8294 14.8294 k = 0.1489 0.2580 0.6531 ( 5118 PWs) bands (ev): -89.1217 -89.1217 -89.1206 -89.1206 -88.8695 -88.8695 -88.8621 -88.8621 -88.8607 -88.8607 -51.3161 -51.3161 -25.6724 -25.6724 -17.9941 -17.9941 -17.9897 -17.9897 3.5439 3.5439 3.6590 3.6590 6.1805 6.1805 6.5993 6.5993 7.5792 7.5792 8.0199 8.0199 8.5254 8.5254 11.5134 11.5134 12.8312 12.8312 13.5855 13.5855 14.7023 14.7023 k = 0.1418 0.2457 0.6531 ( 5110 PWs) bands (ev): -89.1217 -89.1217 -89.1205 -89.1205 -88.8696 -88.8696 -88.8619 -88.8619 -88.8607 -88.8607 -51.3161 -51.3161 -25.6723 -25.6723 -17.9936 -17.9936 -17.9893 -17.9893 3.4870 3.4870 3.6370 3.6370 6.2481 6.2481 6.6418 6.6418 7.5596 7.5596 8.0321 8.0321 8.4807 8.4807 11.6348 11.6348 12.9087 12.9087 13.6589 13.6589 14.5793 14.5793 k = 0.1348 0.2334 0.6531 ( 5110 PWs) bands (ev): -89.1218 -89.1218 -89.1205 -89.1205 -88.8697 -88.8697 -88.8618 -88.8618 -88.8607 -88.8607 -51.3161 -51.3161 -25.6722 -25.6722 -17.9932 -17.9932 -17.9889 -17.9889 3.4315 3.4315 3.6174 3.6174 6.3143 6.3143 6.6838 6.6838 7.5370 7.5370 8.0449 8.0449 8.4396 8.4396 11.7622 11.7622 12.9876 12.9876 13.7239 13.7239 14.4607 14.4607 k = 0.1277 0.2211 0.6531 ( 5116 PWs) bands (ev): -89.1218 -89.1218 -89.1205 -89.1205 -88.8699 -88.8699 -88.8617 -88.8617 -88.8607 -88.8607 -51.3161 -51.3161 -25.6721 -25.6721 -17.9928 -17.9928 -17.9885 -17.9885 3.3779 3.3779 3.5994 3.5994 6.3786 6.3786 6.7250 6.7250 7.5121 7.5121 8.0580 8.0580 8.4023 8.4023 11.8944 11.8944 13.0676 13.0676 13.7790 13.7790 14.3469 14.3469 k = 0.1206 0.2088 0.6531 ( 5112 PWs) bands (ev): -89.1218 -89.1218 -89.1205 -89.1205 -88.8700 -88.8700 -88.8616 -88.8616 -88.8607 -88.8607 -51.3161 -51.3161 -25.6720 -25.6720 -17.9925 -17.9925 -17.9881 -17.9881 3.3266 3.3266 3.5828 3.5828 6.4408 6.4408 6.7653 6.7653 7.4857 7.4857 8.0712 8.0712 8.3687 8.3687 12.0303 12.0303 13.1487 13.1487 13.8224 13.8224 14.2381 14.2381 k = 0.1135 0.1965 0.6531 ( 5112 PWs) bands (ev): -89.1218 -89.1218 -89.1205 -89.1205 -88.8701 -88.8701 -88.8615 -88.8615 -88.8607 -88.8607 -51.3161 -51.3161 -25.6718 -25.6718 -17.9922 -17.9922 -17.9876 -17.9876 3.2779 3.2779 3.5675 3.5675 6.5006 6.5006 6.8046 6.8046 7.4584 7.4584 8.0846 8.0846 8.3390 8.3390 12.1686 12.1686 13.2304 13.2304 13.8528 13.8528 14.1350 14.1350 k = 0.1064 0.1843 0.6531 ( 5108 PWs) bands (ev): -89.1218 -89.1218 -89.1205 -89.1205 -88.8702 -88.8702 -88.8614 -88.8614 -88.8607 -88.8607 -51.3161 -51.3161 -25.6717 -25.6717 -17.9919 -17.9919 -17.9872 -17.9872 3.2317 3.2317 3.5532 3.5532 6.5576 6.5576 6.8427 6.8427 7.4307 7.4307 8.0978 8.0978 8.3133 8.3133 12.3083 12.3083 13.3123 13.3123 13.8694 13.8694 14.0385 14.0385 k = 0.0993 0.1720 0.6531 ( 5116 PWs) bands (ev): -89.1218 -89.1218 -89.1204 -89.1204 -88.8703 -88.8703 -88.8613 -88.8613 -88.8607 -88.8607 -51.3161 -51.3161 -25.6717 -25.6717 -17.9917 -17.9917 -17.9867 -17.9867 3.1883 3.1883 3.5400 3.5400 6.6115 6.6115 6.8793 6.8793 7.4033 7.4033 8.1106 8.1106 8.2916 8.2916 12.4479 12.4479 13.3934 13.3934 13.8709 13.8709 13.9517 13.9517 k = 0.0922 0.1597 0.6531 ( 5116 PWs) bands (ev): -89.1219 -89.1219 -89.1204 -89.1204 -88.8703 -88.8703 -88.8612 -88.8612 -88.8607 -88.8607 -51.3161 -51.3161 -25.6716 -25.6716 -17.9915 -17.9915 -17.9862 -17.9862 3.1476 3.1476 3.5278 3.5278 6.6620 6.6620 6.9143 6.9143 7.3764 7.3764 8.1230 8.1230 8.2740 8.2740 12.5862 12.5862 13.4711 13.4711 13.8448 13.8448 13.8912 13.8912 k = 0.0851 0.1474 0.6531 ( 5116 PWs) bands (ev): -89.1219 -89.1219 -89.1204 -89.1204 -88.8704 -88.8704 -88.8612 -88.8612 -88.8607 -88.8607 -51.3161 -51.3161 -25.6715 -25.6715 -17.9913 -17.9913 -17.9858 -17.9858 3.1098 3.1098 3.5167 3.5167 6.7088 6.7088 6.9475 6.9475 7.3506 7.3506 8.1345 8.1345 8.2605 8.2605 12.7217 12.7217 13.5380 13.5380 13.7918 13.7918 13.8662 13.8662 k = 0.0780 0.1351 0.6531 ( 5110 PWs) bands (ev): -89.1219 -89.1219 -89.1204 -89.1204 -88.8705 -88.8705 -88.8611 -88.8611 -88.8607 -88.8607 -51.3161 -51.3161 -25.6714 -25.6714 -17.9912 -17.9912 -17.9853 -17.9853 3.0748 3.0748 3.5065 3.5065 6.7517 6.7517 6.9787 6.9787 7.3262 7.3262 8.1450 8.1450 8.2509 8.2509 12.8529 12.8529 13.5705 13.5705 13.7686 13.7686 13.8461 13.8461 k = 0.0709 0.1228 0.6531 ( 5118 PWs) bands (ev): -89.1219 -89.1219 -89.1204 -89.1204 -88.8706 -88.8706 -88.8610 -88.8610 -88.8607 -88.8607 -51.3161 -51.3161 -25.6713 -25.6713 -17.9910 -17.9910 -17.9849 -17.9849 3.0428 3.0428 3.4972 3.4972 6.7906 6.7906 7.0075 7.0075 7.3035 7.3035 8.1544 8.1544 8.2452 8.2452 12.9782 12.9782 13.5487 13.5487 13.7890 13.7890 13.8394 13.8394 k = 0.0638 0.1106 0.6531 ( 5118 PWs) bands (ev): -89.1219 -89.1219 -89.1204 -89.1204 -88.8706 -88.8706 -88.8610 -88.8610 -88.8607 -88.8607 -51.3161 -51.3161 -25.6712 -25.6712 -17.9909 -17.9909 -17.9845 -17.9845 3.0137 3.0137 3.4889 3.4889 6.8253 6.8253 7.0338 7.0338 7.2829 7.2829 8.1626 8.1626 8.2428 8.2428 13.0961 13.0961 13.5012 13.5012 13.7799 13.7799 13.8923 13.8923 k = 0.0567 0.0983 0.6531 ( 5120 PWs) bands (ev): -89.1219 -89.1219 -89.1204 -89.1204 -88.8707 -88.8707 -88.8609 -88.8609 -88.8607 -88.8607 -51.3161 -51.3161 -25.6712 -25.6712 -17.9908 -17.9908 -17.9841 -17.9841 2.9876 2.9876 3.4815 3.4815 6.8559 6.8559 7.0572 7.0572 7.2647 7.2647 8.1696 8.1696 8.2433 8.2433 13.2046 13.2046 13.4501 13.4501 13.7558 13.7558 13.9686 13.9686 k = 0.0496 0.0860 0.6531 ( 5132 PWs) bands (ev): -89.1219 -89.1219 -89.1204 -89.1204 -88.8707 -88.8707 -88.8609 -88.8609 -88.8607 -88.8607 -51.3161 -51.3161 -25.6711 -25.6711 -17.9907 -17.9907 -17.9838 -17.9838 2.9644 2.9644 3.4750 3.4750 6.8824 6.8824 7.0773 7.0773 7.2492 7.2492 8.1758 8.1758 8.2459 8.2459 13.3011 13.3011 13.4035 13.4035 13.7307 13.7307 13.8967 13.8967 k = 0.0426 0.0737 0.6531 ( 5136 PWs) bands (ev): -89.1219 -89.1219 -89.1204 -89.1204 -88.8708 -88.8708 -88.8608 -88.8608 -88.8607 -88.8607 -51.3162 -51.3162 -25.6711 -25.6711 -17.9907 -17.9907 -17.9835 -17.9835 2.9444 2.9444 3.4694 3.4694 6.9048 6.9048 7.0939 7.0939 7.2368 7.2368 8.1812 8.1812 8.2496 8.2496 13.3466 13.3466 13.4015 13.4015 13.7070 13.7070 13.8284 13.8284 k = 0.0355 0.0614 0.6531 ( 5132 PWs) bands (ev): -89.1219 -89.1219 -89.1204 -89.1204 -88.8708 -88.8708 -88.8608 -88.8608 -88.8607 -88.8607 -51.3162 -51.3162 -25.6710 -25.6710 -17.9906 -17.9906 -17.9832 -17.9832 2.9273 2.9273 3.4646 3.4646 6.9234 6.9234 7.1065 7.1065 7.2278 7.2278 8.1861 8.1861 8.2539 8.2539 13.3146 13.3146 13.4705 13.4705 13.6858 13.6858 13.7699 13.7699 k = 0.0284 0.0491 0.6531 ( 5132 PWs) bands (ev): -89.1219 -89.1219 -89.1204 -89.1204 -88.8708 -88.8708 -88.8607 -88.8607 -88.8607 -88.8607 -51.3162 -51.3162 -25.6710 -25.6710 -17.9905 -17.9905 -17.9830 -17.9830 2.9134 2.9134 3.4608 3.4608 6.9382 6.9382 7.1152 7.1152 7.2221 7.2221 8.1903 8.1903 8.2580 8.2580 13.2840 13.2840 13.5316 13.5316 13.6677 13.6677 13.7214 13.7214 k = 0.0213 0.0369 0.6531 ( 5130 PWs) bands (ev): -89.1219 -89.1219 -89.1204 -89.1204 -88.8709 -88.8709 -88.8607 -88.8607 -88.8607 -88.8607 -51.3162 -51.3162 -25.6710 -25.6710 -17.9905 -17.9905 -17.9828 -17.9828 2.9025 2.9025 3.4578 3.4578 6.9496 6.9496 7.1204 7.1204 7.2193 7.2193 8.1939 8.1939 8.2617 8.2617 13.2595 13.2595 13.5800 13.5800 13.6532 13.6532 13.6834 13.6834 k = 0.0142 0.0246 0.6531 ( 5134 PWs) bands (ev): -89.1219 -89.1219 -89.1204 -89.1204 -88.8709 -88.8709 -88.8607 -88.8607 -88.8607 -88.8607 -51.3162 -51.3162 -25.6709 -25.6709 -17.9905 -17.9905 -17.9827 -17.9827 2.8947 2.8947 3.4556 3.4556 6.9576 6.9576 7.1230 7.1230 7.2185 7.2185 8.1965 8.1965 8.2645 8.2645 13.2418 13.2418 13.6148 13.6148 13.6426 13.6426 13.6560 13.6560 k = 0.0071 0.0123 0.6531 ( 5142 PWs) bands (ev): -89.1219 -89.1219 -89.1204 -89.1204 -88.8709 -88.8709 -88.8607 -88.8607 -88.8607 -88.8607 -51.3162 -51.3162 -25.6709 -25.6709 -17.9905 -17.9905 -17.9826 -17.9826 2.8901 2.8901 3.4544 3.4544 6.9623 6.9623 7.1240 7.1240 7.2185 7.2185 8.1982 8.1982 8.2663 8.2663 13.2311 13.2311 13.6354 13.6354 13.6366 13.6366 13.6395 13.6395 k = 0.0000 0.0000 0.6531 ( 5142 PWs) bands (ev): -89.1219 -89.1219 -89.1204 -89.1204 -88.8709 -88.8709 -88.8607 -88.8607 -88.8607 -88.8607 -51.3162 -51.3162 -25.6709 -25.6709 -17.9904 -17.9904 -17.9826 -17.9826 2.8885 2.8885 3.4539 3.4539 6.9639 6.9639 7.1243 7.1243 7.2186 7.2186 8.1988 8.1988 8.2669 8.2669 13.2275 13.2275 13.6340 13.6340 13.6340 13.6340 13.6428 13.6428 k = 0.5000 0.2887 0.6531 ( 5116 PWs) bands (ev): -89.1214 -89.1214 -89.1209 -89.1209 -88.8675 -88.8675 -88.8641 -88.8641 -88.8607 -88.8607 -51.3160 -51.3160 -25.6737 -25.6737 -18.0020 -18.0020 -17.9913 -17.9913 3.9683 3.9683 4.9278 4.9278 5.1993 5.1993 5.4060 5.4060 7.9567 7.9567 8.4042 8.4042 8.9076 8.9076 10.1572 10.1572 11.3261 11.3261 13.1345 13.1345 15.6431 15.6431 k = 0.5000 0.2887 0.6389 ( 5116 PWs) bands (ev): -89.1214 -89.1214 -89.1209 -89.1209 -88.8675 -88.8675 -88.8641 -88.8641 -88.8607 -88.8607 -51.3160 -51.3160 -25.6737 -25.6737 -18.0020 -18.0020 -17.9912 -17.9912 3.9645 3.9645 4.9068 4.9068 5.2108 5.2108 5.4227 5.4227 7.9506 7.9506 8.4112 8.4112 8.8996 8.8996 10.1660 10.1660 11.3241 11.3241 13.1355 13.1355 15.6381 15.6381 k = 0.5000 0.2887 0.6247 ( 5118 PWs) bands (ev): -89.1214 -89.1214 -89.1209 -89.1209 -88.8675 -88.8675 -88.8641 -88.8641 -88.8607 -88.8607 -51.3160 -51.3160 -25.6736 -25.6736 -18.0020 -18.0020 -17.9908 -17.9908 3.9533 3.9533 4.8543 4.8543 5.2382 5.2382 5.4691 5.4691 7.9335 7.9335 8.4309 8.4309 8.8766 8.8766 10.1914 10.1914 11.3182 11.3182 13.1384 13.1384 15.6235 15.6235 k = 0.5000 0.2887 0.6105 ( 5118 PWs) bands (ev): -89.1214 -89.1214 -89.1209 -89.1209 -88.8675 -88.8675 -88.8641 -88.8641 -88.8607 -88.8607 -51.3161 -51.3161 -25.6735 -25.6735 -18.0019 -18.0019 -17.9902 -17.9902 3.9351 3.9351 4.7856 4.7856 5.2737 5.2737 5.5370 5.5370 7.9080 7.9080 8.4595 8.4595 8.8419 8.8419 10.2315 10.2315 11.3083 11.3083 13.1434 13.1434 15.5998 15.5998 k = 0.5000 0.2887 0.5963 ( 5120 PWs) bands (ev): -89.1214 -89.1214 -89.1209 -89.1209 -88.8675 -88.8675 -88.8641 -88.8641 -88.8607 -88.8607 -51.3161 -51.3161 -25.6733 -25.6733 -18.0019 -18.0019 -17.9894 -17.9894 3.9110 3.9110 4.7095 4.7095 5.3159 5.3159 5.6184 5.6184 7.8768 7.8768 8.4913 8.4913 8.8010 8.8010 10.2833 10.2833 11.2948 11.2948 13.1503 13.1503 15.5678 15.5678 k = 0.5000 0.2887 0.5821 ( 5124 PWs) bands (ev): -89.1214 -89.1214 -89.1209 -89.1209 -88.8675 -88.8675 -88.8641 -88.8641 -88.8607 -88.8607 -51.3162 -51.3162 -25.6730 -25.6730 -18.0019 -18.0019 -17.9882 -17.9882 3.8817 3.8817 4.6302 4.6302 5.3646 5.3646 5.7082 5.7082 7.8422 7.8422 8.5165 8.5165 8.7643 8.7643 10.3440 10.3440 11.2778 11.2778 13.1592 13.1592 15.5285 15.5285 k = 0.5000 0.2887 0.5679 ( 5124 PWs) bands (ev): -89.1214 -89.1214 -89.1209 -89.1209 -88.8675 -88.8675 -88.8641 -88.8641 -88.8607 -88.8607 -51.3163 -51.3163 -25.6727 -25.6727 -18.0019 -18.0019 -17.9867 -17.9867 3.8483 3.8483 4.5495 4.5495 5.4197 5.4197 5.8035 5.8035 7.8057 7.8057 8.5176 8.5176 8.7500 8.7500 10.4110 10.4110 11.2575 11.2575 13.1699 13.1699 15.4829 15.4829 k = 0.5000 0.2887 0.5537 ( 5138 PWs) bands (ev): -89.1214 -89.1214 -89.1209 -89.1209 -88.8675 -88.8675 -88.8641 -88.8641 -88.8607 -88.8607 -51.3163 -51.3163 -25.6724 -25.6724 -18.0021 -18.0021 -17.9850 -17.9850 3.8117 3.8117 4.4687 4.4687 5.4807 5.4807 5.9027 5.9027 7.7683 7.7683 8.4834 8.4834 8.7706 8.7706 10.4819 10.4819 11.2343 11.2343 13.1824 13.1824 15.4324 15.4324 k = 0.5000 0.2887 0.5395 ( 5136 PWs) bands (ev): -89.1215 -89.1215 -89.1209 -89.1209 -88.8675 -88.8675 -88.8641 -88.8641 -88.8607 -88.8607 -51.3164 -51.3164 -25.6719 -25.6719 -18.0024 -18.0024 -17.9828 -17.9828 3.7727 3.7727 4.3883 4.3883 5.5472 5.5472 6.0048 6.0048 7.7307 7.7307 8.4246 8.4246 8.8160 8.8160 10.5548 10.5548 11.2087 11.2087 13.1966 13.1966 15.3782 15.3782 k = 0.5000 0.2887 0.5253 ( 5136 PWs) bands (ev): -89.1215 -89.1215 -89.1209 -89.1209 -88.8675 -88.8675 -88.8641 -88.8641 -88.8607 -88.8607 -51.3165 -51.3165 -25.6715 -25.6715 -18.0027 -18.0027 -17.9804 -17.9804 3.7320 3.7320 4.3088 4.3088 5.6186 5.6186 6.1092 6.1092 7.6933 7.6933 8.3539 8.3539 8.8745 8.8745 10.6278 10.6278 11.1811 11.1811 13.2126 13.2126 15.3217 15.3217 k = 0.5000 0.2887 0.5111 ( 5132 PWs) bands (ev): -89.1215 -89.1215 -89.1209 -89.1209 -88.8674 -88.8674 -88.8641 -88.8641 -88.8607 -88.8607 -51.3167 -51.3167 -25.6710 -25.6710 -18.0031 -18.0031 -17.9777 -17.9777 3.6902 3.6902 4.2304 4.2304 5.6943 5.6943 6.2153 6.2153 7.6565 7.6565 8.2777 8.2777 8.9404 8.9404 10.6993 10.6993 11.1523 11.1523 13.2301 13.2301 15.2641 15.2641 k = 0.5000 0.2887 0.4969 ( 5124 PWs) bands (ev): -89.1215 -89.1215 -89.1209 -89.1209 -88.8674 -88.8674 -88.8641 -88.8641 -88.8607 -88.8607 -51.3168 -51.3168 -25.6704 -25.6704 -18.0036 -18.0036 -17.9747 -17.9747 3.6477 3.6477 4.1533 4.1533 5.7739 5.7739 6.3229 6.3229 7.6204 7.6204 8.1991 8.1991 9.0114 9.0114 10.7672 10.7672 11.1235 11.1235 13.2490 13.2490 15.2065 15.2065 k = 0.5000 0.2887 0.4827 ( 5128 PWs) bands (ev): -89.1215 -89.1215 -89.1209 -89.1209 -88.8674 -88.8674 -88.8641 -88.8641 -88.8607 -88.8607 -51.3169 -51.3169 -25.6698 -25.6698 -18.0041 -18.0041 -17.9715 -17.9715 3.6049 3.6049 4.0776 4.0776 5.8570 5.8570 6.4316 6.4316 7.5851 7.5851 8.1197 8.1197 9.0862 9.0862 10.8285 10.8285 11.0970 11.0970 13.2693 13.2693 15.1498 15.1498 k = 0.5000 0.2887 0.4685 ( 5128 PWs) bands (ev): -89.1215 -89.1215 -89.1209 -89.1209 -88.8674 -88.8674 -88.8641 -88.8641 -88.8607 -88.8607 -51.3171 -51.3171 -25.6691 -25.6691 -18.0047 -18.0047 -17.9680 -17.9680 3.5622 3.5622 4.0034 4.0034 5.9433 5.9433 6.5408 6.5408 7.5506 7.5506 8.0410 8.0410 9.1644 9.1644 10.8772 10.8772 11.0783 11.0783 13.2907 13.2907 15.0949 15.0949 k = 0.5000 0.2887 0.4543 ( 5132 PWs) bands (ev): -89.1215 -89.1215 -89.1209 -89.1209 -88.8674 -88.8674 -88.8640 -88.8640 -88.8607 -88.8607 -51.3172 -51.3172 -25.6685 -25.6685 -18.0054 -18.0054 -17.9642 -17.9642 3.5197 3.5197 3.9308 3.9308 6.0324 6.0324 6.6500 6.6500 7.5171 7.5171 7.9639 7.9639 9.2455 9.2455 10.9026 10.9026 11.0775 11.0775 13.3132 13.3132 15.0425 15.0425 k = 0.5000 0.2887 0.4402 ( 5130 PWs) bands (ev): -89.1215 -89.1215 -89.1209 -89.1209 -88.8674 -88.8674 -88.8640 -88.8640 -88.8607 -88.8607 -51.3174 -51.3174 -25.6678 -25.6678 -18.0061 -18.0061 -17.9603 -17.9603 3.4778 3.4778 3.8599 3.8599 6.1240 6.1240 6.7585 6.7585 7.4845 7.4845 7.8900 7.8900 9.3293 9.3293 10.8988 10.8988 11.1003 11.1003 13.3364 13.3364 14.9930 14.9930 k = 0.5000 0.2887 0.4260 ( 5134 PWs) bands (ev): -89.1216 -89.1216 -89.1210 -89.1210 -88.8674 -88.8674 -88.8640 -88.8640 -88.8607 -88.8607 -51.3176 -51.3176 -25.6670 -25.6670 -18.0068 -18.0068 -17.9562 -17.9562 3.4365 3.4365 3.7907 3.7907 6.2180 6.2180 6.8646 6.8646 7.4528 7.4528 7.8207 7.8207 9.4157 9.4157 10.8759 10.8759 11.1361 11.1361 13.3603 13.3603 14.9466 14.9466 k = 0.5000 0.2887 0.4118 ( 5142 PWs) bands (ev): -89.1216 -89.1216 -89.1210 -89.1210 -88.8673 -88.8673 -88.8640 -88.8640 -88.8607 -88.8607 -51.3178 -51.3178 -25.6663 -25.6663 -18.0076 -18.0076 -17.9519 -17.9519 3.3960 3.3960 3.7232 3.7232 6.3140 6.3140 6.9661 6.9661 7.4221 7.4221 7.7588 7.7588 9.5044 9.5044 10.8443 10.8443 11.1744 11.1744 13.3844 13.3844 14.9031 14.9031 k = 0.5000 0.2887 0.3976 ( 5138 PWs) bands (ev): -89.1216 -89.1216 -89.1210 -89.1210 -88.8673 -88.8673 -88.8640 -88.8640 -88.8607 -88.8607 -51.3179 -51.3179 -25.6655 -25.6655 -18.0084 -18.0084 -17.9475 -17.9475 3.3564 3.3564 3.6576 3.6576 6.4119 6.4119 7.0581 7.0581 7.3927 7.3927 7.7088 7.7088 9.5955 9.5955 10.8089 10.8089 11.2103 11.2103 13.4086 13.4086 14.8623 14.8623 k = 0.5000 0.2887 0.3834 ( 5140 PWs) bands (ev): -89.1216 -89.1216 -89.1210 -89.1210 -88.8673 -88.8673 -88.8640 -88.8640 -88.8607 -88.8607 -51.3181 -51.3181 -25.6647 -25.6647 -18.0092 -18.0092 -17.9430 -17.9430 3.3178 3.3178 3.5939 3.5939 6.5113 6.5113 7.1315 7.1315 7.3661 7.3661 7.6787 7.6787 9.6888 9.6888 10.7718 10.7718 11.2417 11.2417 13.4325 13.4325 14.8234 14.8234 k = 0.5000 0.2887 0.3692 ( 5134 PWs) bands (ev): -89.1216 -89.1216 -89.1210 -89.1210 -88.8673 -88.8673 -88.8640 -88.8640 -88.8607 -88.8607 -51.3183 -51.3183 -25.6638 -25.6638 -18.0101 -18.0101 -17.9383 -17.9383 3.2803 3.2803 3.5320 3.5320 6.6120 6.6120 7.1728 7.1728 7.3447 7.3447 7.6795 7.6795 9.7841 9.7841 10.7340 10.7340 11.2678 11.2678 13.4558 13.4558 14.7854 14.7854 k = 0.5000 0.2887 0.3550 ( 5138 PWs) bands (ev): -89.1216 -89.1216 -89.1210 -89.1210 -88.8673 -88.8673 -88.8640 -88.8640 -88.8607 -88.8607 -51.3185 -51.3185 -25.6630 -25.6630 -18.0109 -18.0109 -17.9336 -17.9336 3.2439 3.2439 3.4721 3.4721 6.7135 6.7135 7.1745 7.1745 7.3289 7.3289 7.7189 7.7189 9.8815 9.8815 10.6960 10.6960 11.2884 11.2884 13.4781 13.4781 14.7473 14.7473 k = 0.5000 0.2887 0.3408 ( 5130 PWs) bands (ev): -89.1217 -89.1217 -89.1210 -89.1210 -88.8673 -88.8673 -88.8640 -88.8640 -88.8607 -88.8607 -51.3187 -51.3187 -25.6622 -25.6622 -18.0118 -18.0118 -17.9289 -17.9289 3.2087 3.2087 3.4143 3.4143 6.8149 6.8149 7.1477 7.1477 7.3136 7.3136 7.7913 7.7913 9.9807 9.9807 10.6584 10.6584 11.3036 11.3036 13.4989 13.4989 14.7077 14.7077 k = 0.5000 0.2887 0.3266 ( 5130 PWs) bands (ev): -89.1217 -89.1217 -89.1210 -89.1210 -88.8673 -88.8673 -88.8640 -88.8640 -88.8607 -88.8607 -51.3189 -51.3189 -25.6613 -25.6613 -18.0127 -18.0127 -17.9241 -17.9241 3.1747 3.1747 3.3584 3.3584 6.9141 6.9141 7.1079 7.1079 7.2973 7.2973 7.8847 7.8847 10.0816 10.0816 10.6214 10.6214 11.3137 11.3137 13.5180 13.5180 14.6652 14.6652 k = 0.5000 0.2887 0.3124 ( 5134 PWs) bands (ev): -89.1217 -89.1217 -89.1210 -89.1210 -88.8672 -88.8672 -88.8640 -88.8640 -88.8607 -88.8607 -51.3191 -51.3191 -25.6605 -25.6605 -18.0136 -18.0136 -17.9192 -17.9192 3.1419 3.1419 3.3047 3.3047 6.9959 6.9959 7.0765 7.0765 7.2828 7.2828 7.9898 7.9898 10.1838 10.1838 10.5856 10.5856 11.3191 11.3191 13.5347 13.5347 14.6185 14.6185 k = 0.5000 0.2887 0.2982 ( 5134 PWs) bands (ev): -89.1217 -89.1217 -89.1210 -89.1210 -88.8672 -88.8672 -88.8640 -88.8640 -88.8607 -88.8607 -51.3193 -51.3193 -25.6596 -25.6596 -18.0145 -18.0145 -17.9144 -17.9144 3.1104 3.1104 3.2532 3.2532 6.9858 6.9858 7.1253 7.1253 7.2775 7.2775 8.1016 8.1016 10.2864 10.2864 10.5519 10.5519 11.3204 11.3204 13.5487 13.5487 14.5667 14.5667 k = 0.5000 0.2887 0.2840 ( 5122 PWs) bands (ev): -89.1217 -89.1217 -89.1210 -89.1210 -88.8672 -88.8672 -88.8640 -88.8640 -88.8607 -88.8607 -51.3195 -51.3195 -25.6588 -25.6588 -18.0153 -18.0153 -17.9097 -17.9097 3.0800 3.0800 3.2039 3.2039 6.9371 6.9371 7.1781 7.1781 7.3068 7.3068 8.2170 8.2170 10.3855 10.3855 10.5243 10.5243 11.3184 11.3184 13.5595 13.5595 14.5088 14.5088 k = 0.5000 0.2887 0.2698 ( 5136 PWs) bands (ev): -89.1217 -89.1217 -89.1210 -89.1210 -88.8672 -88.8672 -88.8639 -88.8639 -88.8607 -88.8607 -51.3197 -51.3197 -25.6580 -25.6580 -18.0162 -18.0162 -17.9050 -17.9050 3.0508 3.0508 3.1570 3.1570 6.8850 6.8850 7.1860 7.1860 7.3857 7.3857 8.3345 8.3345 10.4466 10.4466 10.5371 10.5371 11.3137 11.3137 13.5666 13.5666 14.4444 14.4444 k = 0.5000 0.2887 0.2556 ( 5148 PWs) bands (ev): -89.1218 -89.1218 -89.1211 -89.1211 -88.8672 -88.8672 -88.8639 -88.8639 -88.8607 -88.8607 -51.3199 -51.3199 -25.6572 -25.6572 -18.0171 -18.0171 -17.9003 -17.9003 3.0227 3.0227 3.1125 3.1125 6.8331 6.8331 7.1772 7.1772 7.4830 7.4830 8.4528 8.4528 10.4333 10.4333 10.6266 10.6266 11.3070 11.3070 13.5696 13.5696 14.3735 14.3735 k = 0.5000 0.2887 0.2414 ( 5144 PWs) bands (ev): -89.1218 -89.1218 -89.1211 -89.1211 -88.8672 -88.8672 -88.8639 -88.8639 -88.8607 -88.8607 -51.3201 -51.3201 -25.6564 -25.6564 -18.0179 -18.0179 -17.8958 -17.8958 2.9954 2.9954 3.0708 3.0708 6.7824 6.7824 7.1646 7.1646 7.5849 7.5849 8.5712 8.5712 10.4061 10.4061 10.7323 10.7323 11.2993 11.2993 13.5681 13.5681 14.2961 14.2961 k = 0.5000 0.2887 0.2272 ( 5144 PWs) bands (ev): -89.1218 -89.1218 -89.1211 -89.1211 -88.8671 -88.8671 -88.8639 -88.8639 -88.8607 -88.8607 -51.3202 -51.3202 -25.6557 -25.6557 -18.0187 -18.0187 -17.8914 -17.8914 2.9689 2.9689 3.0321 3.0321 6.7336 6.7336 7.1513 7.1513 7.6876 7.6876 8.6890 8.6890 10.3778 10.3778 10.8408 10.8408 11.2914 11.2914 13.5620 13.5620 14.2128 14.2128 k = 0.5000 0.2887 0.2130 ( 5150 PWs) bands (ev): -89.1218 -89.1218 -89.1211 -89.1211 -88.8671 -88.8671 -88.8639 -88.8639 -88.8607 -88.8607 -51.3204 -51.3204 -25.6549 -25.6549 -18.0195 -18.0195 -17.8871 -17.8871 2.9427 2.9427 2.9968 2.9968 6.6870 6.6870 7.1382 7.1382 7.7898 7.7898 8.8055 8.8055 10.3502 10.3502 10.9498 10.9498 11.2846 11.2846 13.5510 13.5510 14.1242 14.1242 k = 0.5000 0.2887 0.1988 ( 5150 PWs) bands (ev): -89.1218 -89.1218 -89.1211 -89.1211 -88.8671 -88.8671 -88.8639 -88.8639 -88.8607 -88.8607 -51.3206 -51.3206 -25.6542 -25.6542 -18.0202 -18.0202 -17.8830 -17.8830 2.9163 2.9163 2.9653 2.9653 6.6427 6.6427 7.1257 7.1257 7.8906 7.8906 8.9200 8.9200 10.3238 10.3238 11.0571 11.0571 11.2808 11.2808 13.5352 13.5352 14.0310 14.0310 k = 0.5000 0.2887 0.1846 ( 5150 PWs) bands (ev): -89.1218 -89.1218 -89.1211 -89.1211 -88.8671 -88.8671 -88.8639 -88.8639 -88.8607 -88.8607 -51.3207 -51.3207 -25.6536 -25.6536 -18.0210 -18.0210 -17.8791 -17.8791 2.8895 2.8895 2.9380 2.9380 6.6011 6.6011 7.1140 7.1140 7.9893 7.9893 9.0318 9.0318 10.2988 10.2988 11.1562 11.1562 11.2869 11.2869 13.5147 13.5147 13.9343 13.9343 k = 0.5000 0.2887 0.1704 ( 5152 PWs) bands (ev): -89.1218 -89.1218 -89.1211 -89.1211 -88.8671 -88.8671 -88.8639 -88.8639 -88.8607 -88.8607 -51.3209 -51.3209 -25.6530 -25.6530 -18.0216 -18.0216 -17.8754 -17.8754 2.8628 2.8628 2.9146 2.9146 6.5621 6.5621 7.1031 7.1031 8.0853 8.0853 9.1401 9.1401 10.2755 10.2755 11.2199 11.2199 11.3298 11.3298 13.4899 13.4899 13.8350 13.8350 k = 0.5000 0.2887 0.1562 ( 5146 PWs) bands (ev): -89.1219 -89.1219 -89.1211 -89.1211 -88.8671 -88.8671 -88.8639 -88.8639 -88.8607 -88.8607 -51.3210 -51.3210 -25.6524 -25.6524 -18.0223 -18.0223 -17.8720 -17.8720 2.8368 2.8368 2.8943 2.8943 6.5260 6.5260 7.0930 7.0930 8.1778 8.1778 9.2441 9.2441 10.2538 10.2538 11.2383 11.2383 11.4195 11.4195 13.4613 13.4613 13.7341 13.7341 k = 0.5000 0.2887 0.1420 ( 5152 PWs) bands (ev): -89.1219 -89.1219 -89.1211 -89.1211 -88.8671 -88.8671 -88.8639 -88.8639 -88.8607 -88.8607 -51.3211 -51.3211 -25.6518 -25.6518 -18.0229 -18.0229 -17.8687 -17.8687 2.8121 2.8121 2.8766 2.8766 6.4928 6.4928 7.0838 7.0838 8.2663 8.2663 9.3429 9.3429 10.2339 10.2339 11.2457 11.2457 11.5217 11.5217 13.4298 13.4298 13.6328 13.6328 k = 0.5000 0.2887 0.1278 ( 5140 PWs) bands (ev): -89.1219 -89.1219 -89.1211 -89.1211 -88.8670 -88.8670 -88.8639 -88.8639 -88.8607 -88.8607 -51.3213 -51.3213 -25.6513 -25.6513 -18.0234 -18.0234 -17.8657 -17.8657 2.7891 2.7891 2.8612 2.8612 6.4626 6.4626 7.0755 7.0755 8.3498 8.3498 9.4357 9.4357 10.2157 10.2157 11.2531 11.2531 11.6246 11.6246 13.3960 13.3960 13.5323 13.5323 k = 0.5000 0.2887 0.1136 ( 5144 PWs) bands (ev): -89.1219 -89.1219 -89.1211 -89.1211 -88.8670 -88.8670 -88.8639 -88.8639 -88.8607 -88.8607 -51.3214 -51.3214 -25.6508 -25.6508 -18.0239 -18.0239 -17.8630 -17.8630 2.7682 2.7682 2.8476 2.8476 6.4354 6.4354 7.0681 7.0681 8.4277 8.4277 9.5213 9.5213 10.1994 10.1994 11.2629 11.2629 11.7250 11.7250 13.3612 13.3612 13.4342 13.4342 k = 0.5000 0.2887 0.0994 ( 5140 PWs) bands (ev): -89.1219 -89.1219 -89.1211 -89.1211 -88.8670 -88.8670 -88.8639 -88.8639 -88.8607 -88.8607 -51.3215 -51.3215 -25.6504 -25.6504 -18.0243 -18.0243 -17.8606 -17.8606 2.7495 2.7495 2.8358 2.8358 6.4113 6.4113 7.0616 7.0616 8.4991 8.4991 9.5988 9.5988 10.1849 10.1849 11.2758 11.2758 11.8209 11.8209 13.3252 13.3252 13.3411 13.3411 k = 0.5000 0.2887 0.0852 ( 5144 PWs) bands (ev): -89.1219 -89.1219 -89.1211 -89.1211 -88.8670 -88.8670 -88.8639 -88.8639 -88.8607 -88.8607 -51.3215 -51.3215 -25.6501 -25.6501 -18.0247 -18.0247 -17.8585 -17.8585 2.7332 2.7332 2.8256 2.8256 6.3903 6.3903 7.0559 7.0559 8.5633 8.5633 9.6675 9.6675 10.1723 10.1723 11.2916 11.2916 11.9106 11.9106 13.2499 13.2499 13.2942 13.2942 k = 0.5000 0.2887 0.0710 ( 5128 PWs) bands (ev): -89.1219 -89.1219 -89.1211 -89.1211 -88.8670 -88.8670 -88.8639 -88.8639 -88.8607 -88.8607 -51.3216 -51.3216 -25.6498 -25.6498 -18.0250 -18.0250 -17.8567 -17.8567 2.7193 2.7193 2.8171 2.8171 6.3726 6.3726 7.0511 7.0511 8.6193 8.6193 9.7265 9.7265 10.1617 10.1617 11.3094 11.3094 11.9921 11.9921 13.1688 13.1688 13.2632 13.2632 k = 0.5000 0.2887 0.0568 ( 5128 PWs) bands (ev): -89.1219 -89.1219 -89.1211 -89.1211 -88.8670 -88.8670 -88.8639 -88.8639 -88.8607 -88.8607 -51.3217 -51.3217 -25.6495 -25.6495 -18.0253 -18.0253 -17.8552 -17.8552 2.7078 2.7078 2.8102 2.8102 6.3580 6.3580 7.0472 7.0472 8.6664 8.6664 9.7752 9.7752 10.1530 10.1530 11.3280 11.3280 12.0633 12.0633 13.0972 13.0972 13.2361 13.2361 k = 0.5000 0.2887 0.0426 ( 5126 PWs) bands (ev): -89.1219 -89.1219 -89.1211 -89.1211 -88.8670 -88.8670 -88.8639 -88.8639 -88.8607 -88.8607 -51.3217 -51.3217 -25.6493 -25.6493 -18.0255 -18.0255 -17.8540 -17.8540 2.6989 2.6989 2.8048 2.8048 6.3466 6.3466 7.0441 7.0441 8.7038 8.7038 9.8134 9.8134 10.1462 10.1462 11.3457 11.3457 12.1220 12.1220 13.0379 13.0379 13.2138 13.2138 k = 0.5000 0.2887 0.0284 ( 5130 PWs) bands (ev): -89.1219 -89.1219 -89.1211 -89.1211 -88.8670 -88.8670 -88.8639 -88.8639 -88.8607 -88.8607 -51.3218 -51.3218 -25.6492 -25.6492 -18.0257 -18.0257 -17.8532 -17.8532 2.6925 2.6925 2.8010 2.8010 6.3385 6.3385 7.0420 7.0420 8.7311 8.7311 9.8407 9.8407 10.1413 10.1413 11.3603 11.3603 12.1659 12.1659 12.9933 12.9933 13.1972 13.1972 k = 0.5000 0.2887 0.0142 ( 5122 PWs) bands (ev): -89.1219 -89.1219 -89.1211 -89.1211 -88.8670 -88.8670 -88.8639 -88.8639 -88.8607 -88.8607 -51.3218 -51.3218 -25.6491 -25.6491 -18.0258 -18.0258 -17.8526 -17.8526 2.6886 2.6886 2.7987 2.7987 6.3336 6.3336 7.0407 7.0407 8.7476 8.7476 9.8571 9.8571 10.1384 10.1384 11.3701 11.3701 12.1932 12.1932 12.9655 12.9655 13.1869 13.1869 k = 0.5000 0.2887-0.0000 ( 5130 PWs) bands (ev): -89.1219 -89.1219 -89.1211 -89.1211 -88.8670 -88.8670 -88.8639 -88.8639 -88.8607 -88.8607 -51.3218 -51.3218 -25.6491 -25.6491 -18.0258 -18.0258 -17.8525 -17.8525 2.6874 2.6874 2.7979 2.7979 6.3320 6.3320 7.0402 7.0402 8.7531 8.7531 9.8626 9.8626 10.1375 10.1375 11.3735 11.3735 12.2025 12.2025 12.9560 12.9560 13.1834 13.1834 k = 0.3333 0.5774-0.0000 ( 5130 PWs) bands (ev): -89.1215 -89.1215 -89.1215 -89.1215 -88.8654 -88.8654 -88.8654 -88.8654 -88.8607 -88.8607 -51.3218 -51.3218 -25.6494 -25.6494 -18.0277 -18.0277 -17.8531 -17.8531 3.1224 3.1224 3.2819 3.2819 4.0646 4.0646 9.3509 9.3509 9.4997 9.4997 9.5280 9.5280 9.5901 9.5901 9.6447 9.6447 13.2822 13.2822 13.3834 13.3834 15.1535 15.1535 k = 0.3333 0.5774 0.0142 ( 5142 PWs) bands (ev): -89.1215 -89.1215 -89.1215 -89.1215 -88.8654 -88.8654 -88.8654 -88.8654 -88.8607 -88.8607 -51.3218 -51.3218 -25.6494 -25.6494 -18.0277 -18.0277 -17.8532 -17.8532 3.1233 3.1233 3.2826 3.2826 4.0663 4.0663 9.3488 9.3488 9.4935 9.4935 9.5233 9.5233 9.5910 9.5910 9.6448 9.6448 13.2855 13.2855 13.3867 13.3867 15.1521 15.1521 k = 0.3333 0.5774 0.0284 ( 5130 PWs) bands (ev): -89.1215 -89.1215 -89.1215 -89.1215 -88.8654 -88.8654 -88.8654 -88.8654 -88.8607 -88.8607 -51.3217 -51.3217 -25.6495 -25.6495 -18.0276 -18.0276 -17.8538 -17.8538 3.1257 3.1257 3.2849 3.2849 4.0716 4.0716 9.3419 9.3419 9.4749 9.4749 9.5099 9.5099 9.5935 9.5935 9.6455 9.6455 13.2950 13.2950 13.3961 13.3961 15.1480 15.1480 k = 0.3333 0.5774 0.0426 ( 5136 PWs) bands (ev): -89.1215 -89.1215 -89.1215 -89.1215 -88.8654 -88.8654 -88.8654 -88.8654 -88.8607 -88.8607 -51.3217 -51.3217 -25.6497 -25.6497 -18.0274 -18.0274 -17.8546 -17.8546 3.1297 3.1297 3.2888 3.2888 4.0803 4.0803 9.3278 9.3278 9.4437 9.4437 9.4906 9.4906 9.5977 9.5977 9.6472 9.6472 13.3097 13.3097 13.4106 13.4106 15.1413 15.1413 k = 0.3333 0.5774 0.0568 ( 5115 PWs) bands (ev): -89.1215 -89.1215 -89.1215 -89.1215 -88.8654 -88.8654 -88.8654 -88.8654 -88.8607 -88.8607 -51.3216 -51.3216 -25.6498 -25.6498 -18.0272 -18.0272 -17.8557 -17.8557 3.1353 3.1353 3.2942 3.2942 4.0926 4.0926 9.3031 9.3031 9.4002 9.4002 9.4696 9.4696 9.6035 9.6035 9.6506 9.6506 13.3282 13.3282 13.4285 13.4285 15.1317 15.1317 k = 0.3333 0.5774 0.0710 ( 5109 PWs) bands (ev): -89.1215 -89.1215 -89.1215 -89.1215 -88.8654 -88.8654 -88.8654 -88.8654 -88.8607 -88.8607 -51.3216 -51.3216 -25.6501 -25.6501 -18.0269 -18.0269 -17.8572 -17.8572 3.1425 3.1425 3.3011 3.3011 4.1082 4.1082 9.2641 9.2641 9.3452 9.3452 9.4515 9.4515 9.6108 9.6108 9.6558 9.6558 13.3483 13.3483 13.4477 13.4477 15.1172 15.1172 k = 0.3333 0.5774 0.0852 ( 5115 PWs) bands (ev): -89.1215 -89.1215 -89.1215 -89.1215 -88.8654 -88.8654 -88.8654 -88.8654 -88.8607 -88.8607 -51.3215 -51.3215 -25.6504 -25.6504 -18.0266 -18.0266 -17.8591 -17.8591 3.1514 3.1514 3.3095 3.3095 4.1273 4.1273 9.2098 9.2098 9.2798 9.2798 9.4381 9.4381 9.6197 9.6197 9.6628 9.6628 13.3678 13.3678 13.4657 13.4657 15.0947 15.0947 k = 0.3333 0.5774 0.0994 ( 5115 PWs) bands (ev): -89.1215 -89.1215 -89.1215 -89.1215 -88.8654 -88.8654 -88.8654 -88.8654 -88.8607 -88.8607 -51.3214 -51.3214 -25.6507 -25.6507 -18.0262 -18.0262 -17.8612 -17.8612 3.1619 3.1619 3.3195 3.3195 4.1498 4.1498 9.1421 9.1421 9.2051 9.2051 9.4287 9.4287 9.6301 9.6301 9.6714 9.6714 13.3842 13.3842 13.4800 13.4800 15.0614 15.0614 k = 0.3333 0.5774 0.1136 ( 5115 PWs) bands (ev): -89.1215 -89.1215 -89.1215 -89.1215 -88.8655 -88.8655 -88.8655 -88.8655 -88.8607 -88.8607 -51.3213 -51.3213 -25.6512 -25.6512 -18.0258 -18.0258 -17.8636 -17.8636 3.1739 3.1739 3.3310 3.3310 4.1757 4.1757 9.0635 9.0635 9.1223 9.1223 9.4217 9.4217 9.6420 9.6420 9.6817 9.6817 13.3953 13.3953 13.4884 13.4884 15.0187 15.0187 k = 0.3333 0.5774 0.1278 ( 5121 PWs) bands (ev): -89.1215 -89.1215 -89.1215 -89.1215 -88.8655 -88.8655 -88.8655 -88.8655 -88.8607 -88.8607 -51.3212 -51.3212 -25.6516 -25.6516 -18.0253 -18.0253 -17.8663 -17.8663 3.1877 3.1877 3.3440 3.3440 4.2048 4.2048 8.9761 8.9761 9.0328 9.0328 9.4157 9.4157 9.6554 9.6554 9.6935 9.6935 13.3992 13.3992 13.4890 13.4890 14.9698 14.9698 k = 0.3333 0.5774 0.1420 ( 5124 PWs) bands (ev): -89.1215 -89.1215 -89.1215 -89.1215 -88.8655 -88.8655 -88.8655 -88.8655 -88.8607 -88.8607 -51.3211 -51.3211 -25.6521 -25.6521 -18.0247 -18.0247 -17.8693 -17.8693 3.2030 3.2030 3.3586 3.3586 4.2372 4.2372 8.8817 8.8817 8.9374 8.9374 9.4100 9.4100 9.6702 9.6702 9.7068 9.7068 13.3945 13.3945 13.4808 13.4808 14.9178 14.9178 k = 0.3333 0.5774 0.1562 ( 5139 PWs) bands (ev): -89.1215 -89.1215 -89.1215 -89.1215 -88.8655 -88.8655 -88.8655 -88.8655 -88.8607 -88.8607 -51.3210 -51.3210 -25.6527 -25.6527 -18.0242 -18.0242 -17.8726 -17.8726 3.2199 3.2199 3.3747 3.3747 4.2728 4.2728 8.7817 8.7817 8.8372 8.8372 9.4038 9.4038 9.6864 9.6864 9.7217 9.7217 13.3806 13.3806 13.4632 13.4632 14.8646 14.8646 k = 0.3333 0.5774 0.1704 ( 5133 PWs) bands (ev): -89.1215 -89.1215 -89.1215 -89.1215 -88.8655 -88.8655 -88.8655 -88.8655 -88.8607 -88.8607 -51.3209 -51.3209 -25.6533 -25.6533 -18.0235 -18.0235 -17.8760 -17.8760 3.2385 3.2385 3.3923 3.3923 4.3115 4.3115 8.6770 8.6770 8.7330 8.7330 9.3967 9.3967 9.7040 9.7040 9.7379 9.7379 13.3575 13.3575 13.4366 13.4366 14.8120 14.8120 k = 0.3333 0.5774 0.1846 ( 5139 PWs) bands (ev): -89.1215 -89.1215 -89.1215 -89.1215 -88.8655 -88.8655 -88.8655 -88.8655 -88.8607 -88.8607 -51.3207 -51.3207 -25.6539 -25.6539 -18.0228 -18.0228 -17.8797 -17.8797 3.2587 3.2587 3.4115 3.4115 4.3534 4.3534 8.5688 8.5688 8.6256 8.6256 9.3881 9.3881 9.7229 9.7229 9.7556 9.7556 13.3254 13.3254 13.4017 13.4017 14.7610 14.7610 k = 0.3333 0.5774 0.1988 ( 5127 PWs) bands (ev): -89.1214 -89.1214 -89.1214 -89.1214 -88.8655 -88.8655 -88.8655 -88.8655 -88.8607 -88.8607 -51.3205 -51.3205 -25.6546 -25.6546 -18.0221 -18.0221 -17.8837 -17.8837 3.2806 3.2806 3.4321 3.4321 4.3982 4.3982 8.4576 8.4576 8.5157 8.5157 9.3777 9.3777 9.7431 9.7431 9.7746 9.7746 13.2854 13.2854 13.3593 13.3593 14.7126 14.7126 k = 0.3333 0.5774 0.2130 ( 5139 PWs) bands (ev): -89.1214 -89.1214 -89.1214 -89.1214 -88.8655 -88.8655 -88.8655 -88.8655 -88.8607 -88.8607 -51.3204 -51.3204 -25.6553 -25.6553 -18.0214 -18.0214 -17.8878 -17.8878 3.3041 3.3041 3.4543 3.4543 4.4459 4.4459 8.3442 8.3442 8.4040 8.4040 9.3651 9.3651 9.7646 9.7646 9.7950 9.7950 13.2383 13.2383 13.3106 13.3106 14.6676 14.6676 k = 0.3333 0.5774 0.2272 ( 5130 PWs) bands (ev): -89.1214 -89.1214 -89.1214 -89.1214 -88.8655 -88.8655 -88.8655 -88.8655 -88.8607 -88.8607 -51.3202 -51.3202 -25.6560 -25.6560 -18.0206 -18.0206 -17.8920 -17.8920 3.3292 3.3292 3.4779 3.4779 4.4964 4.4964 8.2292 8.2292 8.2908 8.2908 9.3500 9.3500 9.7874 9.7874 9.8167 9.8167 13.1853 13.1853 13.2566 13.2566 14.6269 14.6269 k = 0.3333 0.5774 0.2414 ( 5136 PWs) bands (ev): -89.1214 -89.1214 -89.1214 -89.1214 -88.8655 -88.8655 -88.8655 -88.8655 -88.8607 -88.8607 -51.3200 -51.3200 -25.6568 -25.6568 -18.0198 -18.0198 -17.8964 -17.8964 3.3559 3.3559 3.5031 3.5031 4.5498 4.5498 8.1131 8.1131 8.1768 8.1768 9.3321 9.3321 9.8114 9.8114 9.8397 9.8397 13.1272 13.1272 13.1982 13.1982 14.5910 14.5910 k = 0.3333 0.5774 0.2556 ( 5136 PWs) bands (ev): -89.1214 -89.1214 -89.1214 -89.1214 -88.8656 -88.8656 -88.8656 -88.8656 -88.8607 -88.8607 -51.3199 -51.3199 -25.6575 -25.6575 -18.0189 -18.0189 -17.9010 -17.9010 3.3843 3.3843 3.5297 3.5297 4.6057 4.6057 7.9962 7.9962 8.0622 8.0622 9.3110 9.3110 9.8366 9.8366 9.8640 9.8640 13.0652 13.0652 13.1363 13.1363 14.5605 14.5605 k = 0.3333 0.5774 0.2698 ( 5130 PWs) bands (ev): -89.1214 -89.1214 -89.1214 -89.1214 -88.8656 -88.8656 -88.8656 -88.8656 -88.8607 -88.8607 -51.3197 -51.3197 -25.6583 -25.6583 -18.0181 -18.0181 -17.9056 -17.9056 3.4143 3.4143 3.5579 3.5579 4.6643 4.6643 7.8790 7.8790 7.9474 7.9474 9.2864 9.2864 9.8630 9.8630 9.8895 9.8895 12.9999 12.9999 13.0717 13.0717 14.5359 14.5359 k = 0.3333 0.5774 0.2840 ( 5118 PWs) bands (ev): -89.1214 -89.1214 -89.1214 -89.1214 -88.8656 -88.8656 -88.8656 -88.8656 -88.8607 -88.8607 -51.3195 -51.3195 -25.6591 -25.6591 -18.0172 -18.0172 -17.9103 -17.9103 3.4458 3.4458 3.5875 3.5875 4.7253 4.7253 7.7617 7.7617 7.8328 7.8328 9.2582 9.2582 9.8906 9.8906 9.9162 9.9162 12.9321 12.9321 13.0051 13.0051 14.5177 14.5177 k = 0.3333 0.5774 0.2982 ( 5124 PWs) bands (ev): -89.1214 -89.1214 -89.1214 -89.1214 -88.8656 -88.8656 -88.8656 -88.8656 -88.8607 -88.8607 -51.3193 -51.3193 -25.6600 -25.6600 -18.0163 -18.0163 -17.9151 -17.9151 3.4791 3.4791 3.6185 3.6185 4.7887 4.7887 7.6447 7.6447 7.7187 7.7187 9.2261 9.2261 9.9193 9.9193 9.9442 9.9442 12.8624 12.8624 12.9369 12.9369 14.5061 14.5061 k = 0.3333 0.5774 0.3124 ( 5130 PWs) bands (ev): -89.1213 -89.1213 -89.1213 -89.1213 -88.8656 -88.8656 -88.8656 -88.8656 -88.8607 -88.8607 -51.3191 -51.3191 -25.6608 -25.6608 -18.0154 -18.0154 -17.9199 -17.9199 3.5138 3.5138 3.6510 3.6510 4.8544 4.8544 7.5282 7.5282 7.6052 7.6052 9.1900 9.1900 9.9491 9.9491 9.9732 9.9732 12.7913 12.7913 12.8676 12.8676 14.5015 14.5015 k = 0.3333 0.5774 0.3266 ( 5130 PWs) bands (ev): -89.1213 -89.1213 -89.1213 -89.1213 -88.8656 -88.8656 -88.8656 -88.8656 -88.8607 -88.8607 -51.3189 -51.3189 -25.6617 -25.6617 -18.0145 -18.0145 -17.9248 -17.9248 3.5502 3.5502 3.6848 3.6848 4.9222 4.9222 7.4124 7.4124 7.4926 7.4926 9.1499 9.1499 9.9799 9.9799 10.0034 10.0034 12.7194 12.7194 12.7977 12.7977 14.5038 14.5038 k = 0.3333 0.5774 0.3408 ( 5130 PWs) bands (ev): -89.1213 -89.1213 -89.1213 -89.1213 -88.8656 -88.8656 -88.8656 -88.8656 -88.8607 -88.8607 -51.3187 -51.3187 -25.6625 -25.6625 -18.0136 -18.0136 -17.9296 -17.9296 3.5882 3.5882 3.7201 3.7201 4.9920 4.9920 7.2976 7.2976 7.3812 7.3812 9.1056 9.1056 10.0118 10.0118 10.0347 10.0347 12.6470 12.6470 12.7275 12.7275 14.5133 14.5133 k = 0.3333 0.5774 0.3550 ( 5136 PWs) bands (ev): -89.1213 -89.1213 -89.1213 -89.1213 -88.8656 -88.8656 -88.8656 -88.8656 -88.8607 -88.8607 -51.3185 -51.3185 -25.6634 -25.6634 -18.0127 -18.0127 -17.9344 -17.9344 3.6277 3.6277 3.7567 3.7567 5.0637 5.0637 7.1839 7.1839 7.2710 7.2710 9.0573 9.0573 10.0446 10.0446 10.0670 10.0670 12.5743 12.5743 12.6572 12.6572 14.5298 14.5298 k = 0.3333 0.5774 0.3692 ( 5130 PWs) bands (ev): -89.1213 -89.1213 -89.1213 -89.1213 -88.8656 -88.8656 -88.8656 -88.8656 -88.8607 -88.8607 -51.3183 -51.3183 -25.6642 -25.6642 -18.0118 -18.0118 -17.9391 -17.9391 3.6687 3.6687 3.7946 3.7946 5.1371 5.1371 7.0715 7.0715 7.1623 7.1623 9.0051 9.0051 10.0783 10.0783 10.1003 10.1003 12.5018 12.5018 12.5871 12.5871 14.5531 14.5531 k = 0.3333 0.5774 0.3834 ( 5130 PWs) bands (ev): -89.1213 -89.1213 -89.1213 -89.1213 -88.8657 -88.8657 -88.8657 -88.8657 -88.8607 -88.8607 -51.3181 -51.3181 -25.6650 -25.6650 -18.0109 -18.0109 -17.9438 -17.9438 3.7111 3.7111 3.8338 3.8338 5.2122 5.2122 6.9606 6.9606 7.0553 7.0553 8.9490 8.9490 10.1128 10.1128 10.1346 10.1346 12.4296 12.4296 12.5176 12.5176 14.5831 14.5831 k = 0.3333 0.5774 0.3976 ( 5124 PWs) bands (ev): -89.1213 -89.1213 -89.1213 -89.1213 -88.8657 -88.8657 -88.8657 -88.8657 -88.8607 -88.8607 -51.3179 -51.3179 -25.6658 -25.6658 -18.0101 -18.0101 -17.9483 -17.9483 3.7551 3.7551 3.8742 3.8742 5.2886 5.2886 6.8513 6.8513 6.9500 6.9500 8.8893 8.8893 10.1481 10.1481 10.1697 10.1697 12.3580 12.3580 12.4487 12.4487 14.6192 14.6192 k = 0.3333 0.5774 0.4118 ( 5139 PWs) bands (ev): -89.1213 -89.1213 -89.1213 -89.1213 -88.8657 -88.8657 -88.8657 -88.8657 -88.8607 -88.8607 -51.3177 -51.3177 -25.6666 -25.6666 -18.0092 -18.0092 -17.9528 -17.9528 3.8004 3.8004 3.9157 3.9157 5.3662 5.3662 6.7438 6.7438 6.8467 6.8467 8.8262 8.8262 10.1841 10.1841 10.2057 10.2057 12.2871 12.2871 12.3806 12.3806 14.6610 14.6610 k = 0.3333 0.5774 0.4260 ( 5121 PWs) bands (ev): -89.1212 -89.1212 -89.1212 -89.1212 -88.8657 -88.8657 -88.8657 -88.8657 -88.8607 -88.8607 -51.3175 -51.3175 -25.6674 -25.6674 -18.0084 -18.0084 -17.9571 -17.9571 3.8470 3.8470 3.9583 3.9583 5.4449 5.4449 6.6383 6.6383 6.7456 6.7456 8.7601 8.7601 10.2207 10.2207 10.2424 10.2424 12.2172 12.2172 12.3136 12.3136 14.7078 14.7078 k = 0.3333 0.5774 0.4402 ( 5121 PWs) bands (ev): -89.1212 -89.1212 -89.1212 -89.1212 -88.8657 -88.8657 -88.8657 -88.8657 -88.8607 -88.8607 -51.3174 -51.3174 -25.6681 -25.6681 -18.0076 -18.0076 -17.9613 -17.9613 3.8949 3.8949 4.0018 4.0018 5.5242 5.5242 6.5350 6.5350 6.6467 6.6467 8.6913 8.6913 10.2578 10.2578 10.2798 10.2798 12.1484 12.1484 12.2478 12.2478 14.7590 14.7590 k = 0.3333 0.5774 0.4543 ( 5127 PWs) bands (ev): -89.1212 -89.1212 -89.1212 -89.1212 -88.8657 -88.8657 -88.8657 -88.8657 -88.8607 -88.8607 -51.3172 -51.3172 -25.6688 -25.6688 -18.0069 -18.0069 -17.9653 -17.9653 3.9439 3.9439 4.0462 4.0462 5.6039 5.6039 6.4341 6.4341 6.5503 6.5503 8.6201 8.6201 10.2952 10.2952 10.3178 10.3178 12.0809 12.0809 12.1834 12.1834 14.8137 14.8137 k = 0.3333 0.5774 0.4685 ( 5130 PWs) bands (ev): -89.1212 -89.1212 -89.1212 -89.1212 -88.8657 -88.8657 -88.8657 -88.8657 -88.8607 -88.8607 -51.3171 -51.3171 -25.6695 -25.6695 -18.0061 -18.0061 -17.9690 -17.9690 3.9940 3.9940 4.0912 4.0912 5.6836 5.6836 6.3361 6.3361 6.4567 6.4567 8.5471 8.5471 10.3329 10.3329 10.3563 10.3563 12.0147 12.0147 12.1207 12.1207 14.8709 14.8709 k = 0.3333 0.5774 0.4827 ( 5142 PWs) bands (ev): -89.1212 -89.1212 -89.1212 -89.1212 -88.8657 -88.8657 -88.8657 -88.8657 -88.8607 -88.8607 -51.3169 -51.3169 -25.6701 -25.6701 -18.0055 -18.0055 -17.9726 -17.9726 4.0449 4.0449 4.1367 4.1367 5.7622 5.7622 6.2417 6.2417 6.3660 6.3660 8.4727 8.4727 10.3705 10.3705 10.3951 10.3951 11.9503 11.9503 12.0597 12.0597 14.9294 14.9294 k = 0.3333 0.5774 0.4969 ( 5142 PWs) bands (ev): -89.1212 -89.1212 -89.1212 -89.1212 -88.8657 -88.8657 -88.8657 -88.8657 -88.8607 -88.8607 -51.3168 -51.3168 -25.6708 -25.6708 -18.0048 -18.0048 -17.9760 -17.9760 4.0965 4.0965 4.1824 4.1824 5.8381 5.8381 6.1526 6.1526 6.2785 6.2785 8.3975 8.3975 10.4080 10.4080 10.4341 10.4341 11.8876 11.8876 12.0007 12.0007 14.9881 14.9881 k = 0.3333 0.5774 0.5111 ( 5139 PWs) bands (ev): -89.1212 -89.1212 -89.1212 -89.1212 -88.8658 -88.8658 -88.8658 -88.8658 -88.8607 -88.8607 -51.3166 -51.3166 -25.6713 -25.6713 -18.0042 -18.0042 -17.9791 -17.9791 4.1485 4.1485 4.2281 4.2281 5.9037 5.9037 6.0760 6.0760 6.1947 6.1947 8.3221 8.3221 10.4450 10.4450 10.4731 10.4731 11.8270 11.8270 11.9441 11.9441 15.0458 15.0458 k = 0.3333 0.5774 0.5253 ( 5142 PWs) bands (ev): -89.1212 -89.1212 -89.1212 -89.1212 -88.8658 -88.8658 -88.8658 -88.8658 -88.8607 -88.8607 -51.3165 -51.3165 -25.6718 -25.6718 -18.0037 -18.0037 -17.9820 -17.9820 4.2005 4.2005 4.2733 4.2733 5.9183 5.9183 6.0525 6.0525 6.1148 6.1148 8.2472 8.2472 10.4812 10.4812 10.5117 10.5117 11.7687 11.7687 11.8901 11.8901 15.1011 15.1011 k = 0.3333 0.5774 0.5395 ( 5154 PWs) bands (ev): -89.1212 -89.1212 -89.1212 -89.1212 -88.8658 -88.8658 -88.8658 -88.8658 -88.8607 -88.8607 -51.3164 -51.3164 -25.6723 -25.6723 -18.0032 -18.0032 -17.9846 -17.9846 4.2520 4.2520 4.3176 4.3176 5.8610 5.8610 6.0395 6.0395 6.1028 6.1028 8.1738 8.1738 10.5163 10.5163 10.5497 10.5497 11.7132 11.7132 11.8391 11.8391 15.1529 15.1529 k = 0.3333 0.5774 0.5537 ( 5142 PWs) bands (ev): -89.1212 -89.1212 -89.1212 -89.1212 -88.8658 -88.8658 -88.8658 -88.8658 -88.8607 -88.8607 -51.3163 -51.3163 -25.6727 -25.6727 -18.0027 -18.0027 -17.9869 -17.9869 4.3026 4.3026 4.3603 4.3603 5.7895 5.7895 5.9693 5.9693 6.1690 6.1690 8.1027 8.1027 10.5498 10.5498 10.5866 10.5866 11.6608 11.6608 11.7917 11.7917 15.2001 15.2001 k = 0.3333 0.5774 0.5679 ( 5130 PWs) bands (ev): -89.1212 -89.1212 -89.1212 -89.1212 -88.8658 -88.8658 -88.8658 -88.8658 -88.8607 -88.8607 -51.3162 -51.3162 -25.6731 -25.6731 -18.0024 -18.0024 -17.9889 -17.9889 4.3513 4.3513 4.4007 4.4007 5.7195 5.7195 5.9050 5.9050 6.2350 6.2350 8.0354 8.0354 10.5812 10.5812 10.6217 10.6217 11.6122 11.6122 11.7482 11.7482 15.2419 15.2419 k = 0.3333 0.5774 0.5821 ( 5136 PWs) bands (ev): -89.1212 -89.1212 -89.1212 -89.1212 -88.8658 -88.8658 -88.8658 -88.8658 -88.8607 -88.8607 -51.3162 -51.3162 -25.6734 -25.6734 -18.0020 -18.0020 -17.9906 -17.9906 4.3970 4.3970 4.4379 4.4379 5.6548 5.6548 5.8476 5.8476 6.2967 6.2967 7.9732 7.9732 10.6097 10.6097 10.6545 10.6545 11.5680 11.5680 11.7094 11.7094 15.2776 15.2776 k = 0.3333 0.5774 0.5963 ( 5136 PWs) bands (ev): -89.1212 -89.1212 -89.1212 -89.1212 -88.8658 -88.8658 -88.8658 -88.8658 -88.8607 -88.8607 -51.3161 -51.3161 -25.6736 -25.6736 -18.0017 -18.0017 -17.9920 -17.9920 4.4384 4.4384 4.4708 4.4708 5.5975 5.5975 5.7981 5.7981 6.3518 6.3518 7.9179 7.9179 10.6347 10.6347 10.6839 10.6839 11.5293 11.5293 11.6761 11.6761 15.3069 15.3069 k = 0.3333 0.5774 0.6105 ( 5142 PWs) bands (ev): -89.1212 -89.1212 -89.1212 -89.1212 -88.8658 -88.8658 -88.8658 -88.8658 -88.8607 -88.8607 -51.3161 -51.3161 -25.6739 -25.6739 -18.0015 -18.0015 -17.9932 -17.9932 4.4738 4.4738 4.4983 4.4983 5.5496 5.5496 5.7577 5.7577 6.3981 6.3981 7.8717 7.8717 10.6553 10.6553 10.7088 10.7088 11.4972 11.4972 11.6490 11.6490 15.3297 15.3297 k = 0.3333 0.5774 0.6247 ( 5142 PWs) bands (ev): -89.1212 -89.1212 -89.1212 -89.1212 -88.8658 -88.8658 -88.8658 -88.8658 -88.8607 -88.8607 -51.3160 -51.3160 -25.6740 -25.6740 -18.0014 -18.0014 -17.9940 -17.9940 4.5012 4.5012 4.5191 4.5191 5.5132 5.5132 5.7277 5.7277 6.4333 6.4333 7.8365 7.8365 10.6708 10.6708 10.7279 10.7279 11.4729 11.4729 11.6289 11.6289 15.3459 15.3459 k = 0.3333 0.5774 0.6389 ( 5136 PWs) bands (ev): -89.1211 -89.1211 -89.1211 -89.1211 -88.8658 -88.8658 -88.8658 -88.8658 -88.8607 -88.8607 -51.3160 -51.3160 -25.6741 -25.6741 -18.0013 -18.0013 -17.9944 -17.9944 4.5187 4.5187 4.5321 4.5321 5.4904 5.4904 5.7092 5.7092 6.4553 6.4553 7.8144 7.8144 10.6804 10.6804 10.7400 10.7400 11.4577 11.4577 11.6165 11.6165 15.3556 15.3556 k = 0.3333 0.5774 0.6531 ( 5130 PWs) bands (ev): -89.1211 -89.1211 -89.1211 -89.1211 -88.8658 -88.8658 -88.8658 -88.8658 -88.8607 -88.8607 -51.3160 -51.3160 -25.6741 -25.6741 -18.0013 -18.0013 -17.9946 -17.9946 4.5247 4.5247 4.5365 4.5365 5.4825 5.4825 5.7029 5.7029 6.4629 6.4629 7.8068 7.8068 10.6836 10.6836 10.7441 10.7441 11.4525 11.4525 11.6123 11.6123 15.3588 15.3588 Writing output data file HfBe5.save init_run : 0.36s CPU 0.58s WALL ( 1 calls) electrons : 162.62s CPU 164.78s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.12s WALL ( 1 calls) Called by electrons: c_bands : 162.62s CPU 164.77s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.09s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.05s WALL ( 371 calls) cegterg : 143.92s CPU 145.53s WALL ( 486 calls) Called by sum_band: Called by *egterg: h_psi : 101.94s CPU 103.36s WALL ( 7800 calls) s_psi : 2.93s CPU 2.85s WALL ( 7800 calls) g_psi : 0.21s CPU 0.25s WALL ( 6943 calls) cdiaghg : 40.78s CPU 41.37s WALL ( 7314 calls) cegterg:over : 4.72s CPU 4.93s WALL ( 6943 calls) cegterg:upda : 5.28s CPU 5.01s WALL ( 6943 calls) cegterg:last : 2.12s CPU 2.24s WALL ( 1294 calls) cdiaghg:chol : 2.38s CPU 2.33s WALL ( 7314 calls) cdiaghg:inve : 1.31s CPU 1.31s WALL ( 7314 calls) cdiaghg:para : 2.40s CPU 2.33s WALL ( 14628 calls) Called by h_psi: h_psi:vloc : 94.27s CPU 95.63s WALL ( 7800 calls) h_psi:vnl : 7.47s CPU 7.50s WALL ( 7800 calls) add_vuspsi : 3.23s CPU 3.41s WALL ( 7800 calls) General routines calbec : 4.22s CPU 4.07s WALL ( 7800 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 86.47s CPU 88.07s WALL ( 711916 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.22s CPU 0.22s WALL ( 742 calls) Parallel routines fft_scatter : 25.14s CPU 26.02s WALL ( 711939 calls) PWSCF : 2m58.53s CPU 3m11.25s WALL This run was terminated on: 14:26:46 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=