Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:21:53 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: ./HfBe2.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 85 31 9 3203 715 116 Max 86 32 11 3206 734 118 Sum 3079 1147 349 115347 26165 4207 bravais-lattice index = 14 lattice parameter (alat) = 7.1583 a.u. unit-cell volume = 265.6637 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 20.00 number of Kohn-Sham states= 28 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)= 7.158282 celldm(2)= 1.000000 celldm(3)= 0.836325 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 0.836325 ) 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 1.195707 ) 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= 423 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023641 k( 2) = ( 0.0104167 0.0060141 -0.0000000), wk = 0.0023641 k( 3) = ( 0.0208333 0.0120281 -0.0000000), wk = 0.0023641 k( 4) = ( 0.0312500 0.0180422 -0.0000000), wk = 0.0023641 k( 5) = ( 0.0416667 0.0240563 -0.0000000), wk = 0.0023641 k( 6) = ( 0.0520833 0.0300703 -0.0000000), wk = 0.0023641 k( 7) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0023641 k( 8) = ( 0.0729167 0.0420985 -0.0000000), wk = 0.0023641 k( 9) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0023641 k( 10) = ( 0.0937500 0.0541266 -0.0000000), wk = 0.0023641 k( 11) = ( 0.1041667 0.0601407 -0.0000000), wk = 0.0023641 k( 12) = ( 0.1145833 0.0661547 -0.0000000), wk = 0.0023641 k( 13) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0023641 k( 14) = ( 0.1354167 0.0781829 -0.0000000), wk = 0.0023641 k( 15) = ( 0.1458333 0.0841969 -0.0000000), wk = 0.0023641 k( 16) = ( 0.1562500 0.0902110 -0.0000000), wk = 0.0023641 k( 17) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0023641 k( 18) = ( 0.1770833 0.1022391 -0.0000000), wk = 0.0023641 k( 19) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0023641 k( 20) = ( 0.1979167 0.1142672 -0.0000000), wk = 0.0023641 k( 21) = ( 0.2083333 0.1202813 -0.0000000), wk = 0.0023641 k( 22) = ( 0.2187500 0.1262954 -0.0000000), wk = 0.0023641 k( 23) = ( 0.2291667 0.1323094 -0.0000000), wk = 0.0023641 k( 24) = ( 0.2395833 0.1383235 -0.0000000), wk = 0.0023641 k( 25) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0023641 k( 26) = ( 0.2604167 0.1503516 -0.0000000), wk = 0.0023641 k( 27) = ( 0.2708333 0.1563657 -0.0000000), wk = 0.0023641 k( 28) = ( 0.2812500 0.1623798 -0.0000000), wk = 0.0023641 k( 29) = ( 0.2916667 0.1683938 -0.0000000), wk = 0.0023641 k( 30) = ( 0.3020833 0.1744079 -0.0000000), wk = 0.0023641 k( 31) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0023641 k( 32) = ( 0.3229167 0.1864360 -0.0000000), wk = 0.0023641 k( 33) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0023641 k( 34) = ( 0.3437500 0.1984642 -0.0000000), wk = 0.0023641 k( 35) = ( 0.3541667 0.2044782 -0.0000000), wk = 0.0023641 k( 36) = ( 0.3645833 0.2104923 -0.0000000), wk = 0.0023641 k( 37) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0023641 k( 38) = ( 0.3854167 0.2225204 -0.0000000), wk = 0.0023641 k( 39) = ( 0.3958333 0.2285345 -0.0000000), wk = 0.0023641 k( 40) = ( 0.4062500 0.2345485 -0.0000000), wk = 0.0023641 k( 41) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0023641 k( 42) = ( 0.4270833 0.2465767 -0.0000000), wk = 0.0023641 k( 43) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0023641 k( 44) = ( 0.4479167 0.2586048 -0.0000000), wk = 0.0023641 k( 45) = ( 0.4583333 0.2646189 -0.0000000), wk = 0.0023641 k( 46) = ( 0.4687500 0.2706329 -0.0000000), wk = 0.0023641 k( 47) = ( 0.4791667 0.2766470 -0.0000000), wk = 0.0023641 k( 48) = ( 0.4895833 0.2826611 -0.0000000), wk = 0.0023641 k( 49) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0023641 k( 50) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0023641 k( 51) = ( 0.4940476 0.2989850 -0.0000000), wk = 0.0023641 k( 52) = ( 0.4880952 0.3092948 -0.0000000), wk = 0.0023641 k( 53) = ( 0.4821429 0.3196046 -0.0000000), wk = 0.0023641 k( 54) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0023641 k( 55) = ( 0.4702381 0.3402243 -0.0000000), wk = 0.0023641 k( 56) = ( 0.4642857 0.3505341 -0.0000000), wk = 0.0023641 k( 57) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0023641 k( 58) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0023641 k( 59) = ( 0.4464286 0.3814636 -0.0000000), wk = 0.0023641 k( 60) = ( 0.4404762 0.3917734 -0.0000000), wk = 0.0023641 k( 61) = ( 0.4345238 0.4020832 -0.0000000), wk = 0.0023641 k( 62) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0023641 k( 63) = ( 0.4226190 0.4227029 -0.0000000), wk = 0.0023641 k( 64) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0023641 k( 65) = ( 0.4107143 0.4433225 -0.0000000), wk = 0.0023641 k( 66) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0023641 k( 67) = ( 0.3988095 0.4639422 -0.0000000), wk = 0.0023641 k( 68) = ( 0.3928571 0.4742520 -0.0000000), wk = 0.0023641 k( 69) = ( 0.3869048 0.4845618 -0.0000000), wk = 0.0023641 k( 70) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0023641 k( 71) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0023641 k( 72) = ( 0.3690476 0.5154913 -0.0000000), wk = 0.0023641 k( 73) = ( 0.3630952 0.5258011 -0.0000000), wk = 0.0023641 k( 74) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0023641 k( 75) = ( 0.3511905 0.5464208 -0.0000000), wk = 0.0023641 k( 76) = ( 0.3452381 0.5567306 -0.0000000), wk = 0.0023641 k( 77) = ( 0.3392857 0.5670404 -0.0000000), wk = 0.0023641 k( 78) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0023641 k( 79) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0023641 k( 80) = ( 0.3273810 0.5670404 -0.0000000), wk = 0.0023641 k( 81) = ( 0.3214286 0.5567306 -0.0000000), wk = 0.0023641 k( 82) = ( 0.3154762 0.5464208 -0.0000000), wk = 0.0023641 k( 83) = ( 0.3095238 0.5361110 -0.0000000), wk = 0.0023641 k( 84) = ( 0.3035714 0.5258011 -0.0000000), wk = 0.0023641 k( 85) = ( 0.2976190 0.5154913 -0.0000000), wk = 0.0023641 k( 86) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0023641 k( 87) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0023641 k( 88) = ( 0.2797619 0.4845618 -0.0000000), wk = 0.0023641 k( 89) = ( 0.2738095 0.4742520 -0.0000000), wk = 0.0023641 k( 90) = ( 0.2678571 0.4639422 -0.0000000), wk = 0.0023641 k( 91) = ( 0.2619048 0.4536324 -0.0000000), wk = 0.0023641 k( 92) = ( 0.2559524 0.4433225 -0.0000000), wk = 0.0023641 k( 93) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0023641 k( 94) = ( 0.2440476 0.4227029 -0.0000000), wk = 0.0023641 k( 95) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0023641 k( 96) = ( 0.2321429 0.4020832 -0.0000000), wk = 0.0023641 k( 97) = ( 0.2261905 0.3917734 -0.0000000), wk = 0.0023641 k( 98) = ( 0.2202381 0.3814636 -0.0000000), wk = 0.0023641 k( 99) = ( 0.2142857 0.3711537 -0.0000000), wk = 0.0023641 k( 100) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0023641 k( 101) = ( 0.2023810 0.3505341 -0.0000000), wk = 0.0023641 k( 102) = ( 0.1964286 0.3402243 -0.0000000), wk = 0.0023641 k( 103) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0023641 k( 104) = ( 0.1845238 0.3196046 -0.0000000), wk = 0.0023641 k( 105) = ( 0.1785714 0.3092948 -0.0000000), wk = 0.0023641 k( 106) = ( 0.1726190 0.2989850 -0.0000000), wk = 0.0023641 k( 107) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0023641 k( 108) = ( 0.1607143 0.2783653 -0.0000000), wk = 0.0023641 k( 109) = ( 0.1547619 0.2680555 -0.0000000), wk = 0.0023641 k( 110) = ( 0.1488095 0.2577456 -0.0000000), wk = 0.0023641 k( 111) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0023641 k( 112) = ( 0.1369048 0.2371260 -0.0000000), wk = 0.0023641 k( 113) = ( 0.1309524 0.2268162 -0.0000000), wk = 0.0023641 k( 114) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0023641 k( 115) = ( 0.1190476 0.2061965 -0.0000000), wk = 0.0023641 k( 116) = ( 0.1130952 0.1958867 -0.0000000), wk = 0.0023641 k( 117) = ( 0.1071429 0.1855769 -0.0000000), wk = 0.0023641 k( 118) = ( 0.1011905 0.1752671 -0.0000000), wk = 0.0023641 k( 119) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0023641 k( 120) = ( 0.0892857 0.1546474 -0.0000000), wk = 0.0023641 k( 121) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0023641 k( 122) = ( 0.0773810 0.1340277 -0.0000000), wk = 0.0023641 k( 123) = ( 0.0714286 0.1237179 -0.0000000), wk = 0.0023641 k( 124) = ( 0.0654762 0.1134081 -0.0000000), wk = 0.0023641 k( 125) = ( 0.0595238 0.1030983 -0.0000000), wk = 0.0023641 k( 126) = ( 0.0535714 0.0927884 -0.0000000), wk = 0.0023641 k( 127) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0023641 k( 128) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0023641 k( 129) = ( 0.0357143 0.0618590 -0.0000000), wk = 0.0023641 k( 130) = ( 0.0297619 0.0515491 -0.0000000), wk = 0.0023641 k( 131) = ( 0.0238095 0.0412393 -0.0000000), wk = 0.0023641 k( 132) = ( 0.0178571 0.0309295 -0.0000000), wk = 0.0023641 k( 133) = ( 0.0119048 0.0206196 -0.0000000), wk = 0.0023641 k( 134) = ( 0.0059524 0.0103098 -0.0000000), wk = 0.0023641 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023641 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023641 k( 137) = ( 0.0000000 0.0000000 0.0119571), wk = 0.0023641 k( 138) = ( 0.0000000 0.0000000 0.0239141), wk = 0.0023641 k( 139) = ( 0.0000000 0.0000000 0.0358712), wk = 0.0023641 k( 140) = ( 0.0000000 0.0000000 0.0478283), wk = 0.0023641 k( 141) = ( 0.0000000 0.0000000 0.0597854), wk = 0.0023641 k( 142) = ( 0.0000000 0.0000000 0.0717424), wk = 0.0023641 k( 143) = ( 0.0000000 0.0000000 0.0836995), wk = 0.0023641 k( 144) = ( 0.0000000 0.0000000 0.0956566), wk = 0.0023641 k( 145) = ( 0.0000000 0.0000000 0.1076136), wk = 0.0023641 k( 146) = ( 0.0000000 0.0000000 0.1195707), wk = 0.0023641 k( 147) = ( 0.0000000 0.0000000 0.1315278), wk = 0.0023641 k( 148) = ( 0.0000000 0.0000000 0.1434848), wk = 0.0023641 k( 149) = ( 0.0000000 0.0000000 0.1554419), wk = 0.0023641 k( 150) = ( 0.0000000 0.0000000 0.1673990), wk = 0.0023641 k( 151) = ( 0.0000000 0.0000000 0.1793561), wk = 0.0023641 k( 152) = ( 0.0000000 0.0000000 0.1913131), wk = 0.0023641 k( 153) = ( 0.0000000 0.0000000 0.2032702), wk = 0.0023641 k( 154) = ( 0.0000000 0.0000000 0.2152273), wk = 0.0023641 k( 155) = ( 0.0000000 0.0000000 0.2271843), wk = 0.0023641 k( 156) = ( 0.0000000 0.0000000 0.2391414), wk = 0.0023641 k( 157) = ( 0.0000000 0.0000000 0.2510985), wk = 0.0023641 k( 158) = ( 0.0000000 0.0000000 0.2630556), wk = 0.0023641 k( 159) = ( 0.0000000 0.0000000 0.2750126), wk = 0.0023641 k( 160) = ( 0.0000000 0.0000000 0.2869697), wk = 0.0023641 k( 161) = ( 0.0000000 0.0000000 0.2989268), wk = 0.0023641 k( 162) = ( 0.0000000 0.0000000 0.3108838), wk = 0.0023641 k( 163) = ( 0.0000000 0.0000000 0.3228409), wk = 0.0023641 k( 164) = ( 0.0000000 0.0000000 0.3347980), wk = 0.0023641 k( 165) = ( 0.0000000 0.0000000 0.3467551), wk = 0.0023641 k( 166) = ( 0.0000000 0.0000000 0.3587121), wk = 0.0023641 k( 167) = ( 0.0000000 0.0000000 0.3706692), wk = 0.0023641 k( 168) = ( 0.0000000 0.0000000 0.3826263), wk = 0.0023641 k( 169) = ( 0.0000000 0.0000000 0.3945833), wk = 0.0023641 k( 170) = ( 0.0000000 0.0000000 0.4065404), wk = 0.0023641 k( 171) = ( 0.0000000 0.0000000 0.4184975), wk = 0.0023641 k( 172) = ( 0.0000000 0.0000000 0.4304545), wk = 0.0023641 k( 173) = ( 0.0000000 0.0000000 0.4424116), wk = 0.0023641 k( 174) = ( 0.0000000 0.0000000 0.4543687), wk = 0.0023641 k( 175) = ( 0.0000000 0.0000000 0.4663258), wk = 0.0023641 k( 176) = ( 0.0000000 0.0000000 0.4782828), wk = 0.0023641 k( 177) = ( 0.0000000 0.0000000 0.4902399), wk = 0.0023641 k( 178) = ( 0.0000000 0.0000000 0.5021970), wk = 0.0023641 k( 179) = ( 0.0000000 0.0000000 0.5141540), wk = 0.0023641 k( 180) = ( 0.0000000 0.0000000 0.5261111), wk = 0.0023641 k( 181) = ( 0.0000000 0.0000000 0.5380682), wk = 0.0023641 k( 182) = ( 0.0000000 0.0000000 0.5500253), wk = 0.0023641 k( 183) = ( 0.0000000 0.0000000 0.5619823), wk = 0.0023641 k( 184) = ( 0.0000000 0.0000000 0.5739394), wk = 0.0023641 k( 185) = ( 0.0000000 0.0000000 0.5858965), wk = 0.0023641 k( 186) = ( 0.0000000 0.0000000 0.5978535), wk = 0.0023641 k( 187) = ( 0.0000000 0.0000000 0.5978535), wk = 0.0023641 k( 188) = ( 0.0104167 0.0060141 0.5978535), wk = 0.0023641 k( 189) = ( 0.0208333 0.0120281 0.5978535), wk = 0.0023641 k( 190) = ( 0.0312500 0.0180422 0.5978535), wk = 0.0023641 k( 191) = ( 0.0416667 0.0240563 0.5978535), wk = 0.0023641 k( 192) = ( 0.0520833 0.0300703 0.5978535), wk = 0.0023641 k( 193) = ( 0.0625000 0.0360844 0.5978535), wk = 0.0023641 k( 194) = ( 0.0729167 0.0420985 0.5978535), wk = 0.0023641 k( 195) = ( 0.0833333 0.0481125 0.5978535), wk = 0.0023641 k( 196) = ( 0.0937500 0.0541266 0.5978535), wk = 0.0023641 k( 197) = ( 0.1041667 0.0601407 0.5978535), wk = 0.0023641 k( 198) = ( 0.1145833 0.0661547 0.5978535), wk = 0.0023641 k( 199) = ( 0.1250000 0.0721688 0.5978535), wk = 0.0023641 k( 200) = ( 0.1354167 0.0781829 0.5978535), wk = 0.0023641 k( 201) = ( 0.1458333 0.0841969 0.5978535), wk = 0.0023641 k( 202) = ( 0.1562500 0.0902110 0.5978535), wk = 0.0023641 k( 203) = ( 0.1666667 0.0962250 0.5978535), wk = 0.0023641 k( 204) = ( 0.1770833 0.1022391 0.5978535), wk = 0.0023641 k( 205) = ( 0.1875000 0.1082532 0.5978535), wk = 0.0023641 k( 206) = ( 0.1979167 0.1142672 0.5978535), wk = 0.0023641 k( 207) = ( 0.2083333 0.1202813 0.5978535), wk = 0.0023641 k( 208) = ( 0.2187500 0.1262954 0.5978535), wk = 0.0023641 k( 209) = ( 0.2291667 0.1323094 0.5978535), wk = 0.0023641 k( 210) = ( 0.2395833 0.1383235 0.5978535), wk = 0.0023641 k( 211) = ( 0.2500000 0.1443376 0.5978535), wk = 0.0023641 k( 212) = ( 0.2604167 0.1503516 0.5978535), wk = 0.0023641 k( 213) = ( 0.2708333 0.1563657 0.5978535), wk = 0.0023641 k( 214) = ( 0.2812500 0.1623798 0.5978535), wk = 0.0023641 k( 215) = ( 0.2916667 0.1683938 0.5978535), wk = 0.0023641 k( 216) = ( 0.3020833 0.1744079 0.5978535), wk = 0.0023641 k( 217) = ( 0.3125000 0.1804220 0.5978535), wk = 0.0023641 k( 218) = ( 0.3229167 0.1864360 0.5978535), wk = 0.0023641 k( 219) = ( 0.3333333 0.1924501 0.5978535), wk = 0.0023641 k( 220) = ( 0.3437500 0.1984642 0.5978535), wk = 0.0023641 k( 221) = ( 0.3541667 0.2044782 0.5978535), wk = 0.0023641 k( 222) = ( 0.3645833 0.2104923 0.5978535), wk = 0.0023641 k( 223) = ( 0.3750000 0.2165064 0.5978535), wk = 0.0023641 k( 224) = ( 0.3854167 0.2225204 0.5978535), wk = 0.0023641 k( 225) = ( 0.3958333 0.2285345 0.5978535), wk = 0.0023641 k( 226) = ( 0.4062500 0.2345485 0.5978535), wk = 0.0023641 k( 227) = ( 0.4166667 0.2405626 0.5978535), wk = 0.0023641 k( 228) = ( 0.4270833 0.2465767 0.5978535), wk = 0.0023641 k( 229) = ( 0.4375000 0.2525907 0.5978535), wk = 0.0023641 k( 230) = ( 0.4479167 0.2586048 0.5978535), wk = 0.0023641 k( 231) = ( 0.4583333 0.2646189 0.5978535), wk = 0.0023641 k( 232) = ( 0.4687500 0.2706329 0.5978535), wk = 0.0023641 k( 233) = ( 0.4791667 0.2766470 0.5978535), wk = 0.0023641 k( 234) = ( 0.4895833 0.2826611 0.5978535), wk = 0.0023641 k( 235) = ( 0.5000000 0.2886751 0.5978535), wk = 0.0023641 k( 236) = ( 0.5000000 0.2886751 0.5978535), wk = 0.0023641 k( 237) = ( 0.4940476 0.2989850 0.5978535), wk = 0.0023641 k( 238) = ( 0.4880952 0.3092948 0.5978535), wk = 0.0023641 k( 239) = ( 0.4821429 0.3196046 0.5978535), wk = 0.0023641 k( 240) = ( 0.4761905 0.3299144 0.5978535), wk = 0.0023641 k( 241) = ( 0.4702381 0.3402243 0.5978535), wk = 0.0023641 k( 242) = ( 0.4642857 0.3505341 0.5978535), wk = 0.0023641 k( 243) = ( 0.4583333 0.3608439 0.5978535), wk = 0.0023641 k( 244) = ( 0.4523810 0.3711537 0.5978535), wk = 0.0023641 k( 245) = ( 0.4464286 0.3814636 0.5978535), wk = 0.0023641 k( 246) = ( 0.4404762 0.3917734 0.5978535), wk = 0.0023641 k( 247) = ( 0.4345238 0.4020832 0.5978535), wk = 0.0023641 k( 248) = ( 0.4285714 0.4123930 0.5978535), wk = 0.0023641 k( 249) = ( 0.4226190 0.4227029 0.5978535), wk = 0.0023641 k( 250) = ( 0.4166667 0.4330127 0.5978535), wk = 0.0023641 k( 251) = ( 0.4107143 0.4433225 0.5978535), wk = 0.0023641 k( 252) = ( 0.4047619 0.4536324 0.5978535), wk = 0.0023641 k( 253) = ( 0.3988095 0.4639422 0.5978535), wk = 0.0023641 k( 254) = ( 0.3928571 0.4742520 0.5978535), wk = 0.0023641 k( 255) = ( 0.3869048 0.4845618 0.5978535), wk = 0.0023641 k( 256) = ( 0.3809524 0.4948717 0.5978535), wk = 0.0023641 k( 257) = ( 0.3750000 0.5051815 0.5978535), wk = 0.0023641 k( 258) = ( 0.3690476 0.5154913 0.5978535), wk = 0.0023641 k( 259) = ( 0.3630952 0.5258011 0.5978535), wk = 0.0023641 k( 260) = ( 0.3571429 0.5361110 0.5978535), wk = 0.0023641 k( 261) = ( 0.3511905 0.5464208 0.5978535), wk = 0.0023641 k( 262) = ( 0.3452381 0.5567306 0.5978535), wk = 0.0023641 k( 263) = ( 0.3392857 0.5670404 0.5978535), wk = 0.0023641 k( 264) = ( 0.3333333 0.5773503 0.5978535), wk = 0.0023641 k( 265) = ( 0.3333333 0.5773503 0.5978535), wk = 0.0023641 k( 266) = ( 0.3273810 0.5670404 0.5978535), wk = 0.0023641 k( 267) = ( 0.3214286 0.5567306 0.5978535), wk = 0.0023641 k( 268) = ( 0.3154762 0.5464208 0.5978535), wk = 0.0023641 k( 269) = ( 0.3095238 0.5361110 0.5978535), wk = 0.0023641 k( 270) = ( 0.3035714 0.5258011 0.5978535), wk = 0.0023641 k( 271) = ( 0.2976190 0.5154913 0.5978535), wk = 0.0023641 k( 272) = ( 0.2916667 0.5051815 0.5978535), wk = 0.0023641 k( 273) = ( 0.2857143 0.4948717 0.5978535), wk = 0.0023641 k( 274) = ( 0.2797619 0.4845618 0.5978535), wk = 0.0023641 k( 275) = ( 0.2738095 0.4742520 0.5978535), wk = 0.0023641 k( 276) = ( 0.2678571 0.4639422 0.5978535), wk = 0.0023641 k( 277) = ( 0.2619048 0.4536324 0.5978535), wk = 0.0023641 k( 278) = ( 0.2559524 0.4433225 0.5978535), wk = 0.0023641 k( 279) = ( 0.2500000 0.4330127 0.5978535), wk = 0.0023641 k( 280) = ( 0.2440476 0.4227029 0.5978535), wk = 0.0023641 k( 281) = ( 0.2380952 0.4123931 0.5978535), wk = 0.0023641 k( 282) = ( 0.2321429 0.4020832 0.5978535), wk = 0.0023641 k( 283) = ( 0.2261905 0.3917734 0.5978535), wk = 0.0023641 k( 284) = ( 0.2202381 0.3814636 0.5978535), wk = 0.0023641 k( 285) = ( 0.2142857 0.3711537 0.5978535), wk = 0.0023641 k( 286) = ( 0.2083333 0.3608439 0.5978535), wk = 0.0023641 k( 287) = ( 0.2023810 0.3505341 0.5978535), wk = 0.0023641 k( 288) = ( 0.1964286 0.3402243 0.5978535), wk = 0.0023641 k( 289) = ( 0.1904762 0.3299144 0.5978535), wk = 0.0023641 k( 290) = ( 0.1845238 0.3196046 0.5978535), wk = 0.0023641 k( 291) = ( 0.1785714 0.3092948 0.5978535), wk = 0.0023641 k( 292) = ( 0.1726190 0.2989850 0.5978535), wk = 0.0023641 k( 293) = ( 0.1666667 0.2886751 0.5978535), wk = 0.0023641 k( 294) = ( 0.1607143 0.2783653 0.5978535), wk = 0.0023641 k( 295) = ( 0.1547619 0.2680555 0.5978535), wk = 0.0023641 k( 296) = ( 0.1488095 0.2577456 0.5978535), wk = 0.0023641 k( 297) = ( 0.1428571 0.2474358 0.5978535), wk = 0.0023641 k( 298) = ( 0.1369048 0.2371260 0.5978535), wk = 0.0023641 k( 299) = ( 0.1309524 0.2268162 0.5978535), wk = 0.0023641 k( 300) = ( 0.1250000 0.2165064 0.5978535), wk = 0.0023641 k( 301) = ( 0.1190476 0.2061965 0.5978535), wk = 0.0023641 k( 302) = ( 0.1130952 0.1958867 0.5978535), wk = 0.0023641 k( 303) = ( 0.1071429 0.1855769 0.5978535), wk = 0.0023641 k( 304) = ( 0.1011905 0.1752671 0.5978535), wk = 0.0023641 k( 305) = ( 0.0952381 0.1649572 0.5978535), wk = 0.0023641 k( 306) = ( 0.0892857 0.1546474 0.5978535), wk = 0.0023641 k( 307) = ( 0.0833333 0.1443376 0.5978535), wk = 0.0023641 k( 308) = ( 0.0773810 0.1340277 0.5978535), wk = 0.0023641 k( 309) = ( 0.0714286 0.1237179 0.5978535), wk = 0.0023641 k( 310) = ( 0.0654762 0.1134081 0.5978535), wk = 0.0023641 k( 311) = ( 0.0595238 0.1030983 0.5978535), wk = 0.0023641 k( 312) = ( 0.0535714 0.0927884 0.5978535), wk = 0.0023641 k( 313) = ( 0.0476191 0.0824786 0.5978535), wk = 0.0023641 k( 314) = ( 0.0416667 0.0721688 0.5978535), wk = 0.0023641 k( 315) = ( 0.0357143 0.0618590 0.5978535), wk = 0.0023641 k( 316) = ( 0.0297619 0.0515491 0.5978535), wk = 0.0023641 k( 317) = ( 0.0238095 0.0412393 0.5978535), wk = 0.0023641 k( 318) = ( 0.0178571 0.0309295 0.5978535), wk = 0.0023641 k( 319) = ( 0.0119048 0.0206196 0.5978535), wk = 0.0023641 k( 320) = ( 0.0059524 0.0103098 0.5978535), wk = 0.0023641 k( 321) = ( 0.0000000 0.0000000 0.5978535), wk = 0.0023641 k( 322) = ( 0.5000000 0.2886751 0.5978535), wk = 0.0023641 k( 323) = ( 0.5000000 0.2886751 0.5858965), wk = 0.0023641 k( 324) = ( 0.5000000 0.2886751 0.5739394), wk = 0.0023641 k( 325) = ( 0.5000000 0.2886751 0.5619823), wk = 0.0023641 k( 326) = ( 0.5000000 0.2886751 0.5500253), wk = 0.0023641 k( 327) = ( 0.5000000 0.2886751 0.5380682), wk = 0.0023641 k( 328) = ( 0.5000000 0.2886751 0.5261111), wk = 0.0023641 k( 329) = ( 0.5000000 0.2886751 0.5141540), wk = 0.0023641 k( 330) = ( 0.5000000 0.2886751 0.5021970), wk = 0.0023641 k( 331) = ( 0.5000000 0.2886751 0.4902399), wk = 0.0023641 k( 332) = ( 0.5000000 0.2886751 0.4782828), wk = 0.0023641 k( 333) = ( 0.5000000 0.2886751 0.4663258), wk = 0.0023641 k( 334) = ( 0.5000000 0.2886751 0.4543687), wk = 0.0023641 k( 335) = ( 0.5000000 0.2886751 0.4424116), wk = 0.0023641 k( 336) = ( 0.5000000 0.2886751 0.4304545), wk = 0.0023641 k( 337) = ( 0.5000000 0.2886751 0.4184975), wk = 0.0023641 k( 338) = ( 0.5000000 0.2886751 0.4065404), wk = 0.0023641 k( 339) = ( 0.5000000 0.2886751 0.3945833), wk = 0.0023641 k( 340) = ( 0.5000000 0.2886751 0.3826263), wk = 0.0023641 k( 341) = ( 0.5000000 0.2886751 0.3706692), wk = 0.0023641 k( 342) = ( 0.5000000 0.2886751 0.3587121), wk = 0.0023641 k( 343) = ( 0.5000000 0.2886751 0.3467551), wk = 0.0023641 k( 344) = ( 0.5000000 0.2886751 0.3347980), wk = 0.0023641 k( 345) = ( 0.5000000 0.2886751 0.3228409), wk = 0.0023641 k( 346) = ( 0.5000000 0.2886751 0.3108838), wk = 0.0023641 k( 347) = ( 0.5000000 0.2886751 0.2989268), wk = 0.0023641 k( 348) = ( 0.5000000 0.2886751 0.2869697), wk = 0.0023641 k( 349) = ( 0.5000000 0.2886751 0.2750126), wk = 0.0023641 k( 350) = ( 0.5000000 0.2886751 0.2630556), wk = 0.0023641 k( 351) = ( 0.5000000 0.2886751 0.2510985), wk = 0.0023641 k( 352) = ( 0.5000000 0.2886751 0.2391414), wk = 0.0023641 k( 353) = ( 0.5000000 0.2886751 0.2271843), wk = 0.0023641 k( 354) = ( 0.5000000 0.2886751 0.2152273), wk = 0.0023641 k( 355) = ( 0.5000000 0.2886751 0.2032702), wk = 0.0023641 k( 356) = ( 0.5000000 0.2886751 0.1913131), wk = 0.0023641 k( 357) = ( 0.5000000 0.2886751 0.1793561), wk = 0.0023641 k( 358) = ( 0.5000000 0.2886751 0.1673990), wk = 0.0023641 k( 359) = ( 0.5000000 0.2886751 0.1554419), wk = 0.0023641 k( 360) = ( 0.5000000 0.2886751 0.1434848), wk = 0.0023641 k( 361) = ( 0.5000000 0.2886751 0.1315278), wk = 0.0023641 k( 362) = ( 0.5000000 0.2886751 0.1195707), wk = 0.0023641 k( 363) = ( 0.5000000 0.2886751 0.1076136), wk = 0.0023641 k( 364) = ( 0.5000000 0.2886751 0.0956566), wk = 0.0023641 k( 365) = ( 0.5000000 0.2886751 0.0836995), wk = 0.0023641 k( 366) = ( 0.5000000 0.2886751 0.0717424), wk = 0.0023641 k( 367) = ( 0.5000000 0.2886751 0.0597854), wk = 0.0023641 k( 368) = ( 0.5000000 0.2886751 0.0478283), wk = 0.0023641 k( 369) = ( 0.5000000 0.2886751 0.0358712), wk = 0.0023641 k( 370) = ( 0.5000000 0.2886751 0.0239141), wk = 0.0023641 k( 371) = ( 0.5000000 0.2886751 0.0119571), wk = 0.0023641 k( 372) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0023641 k( 373) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0023641 k( 374) = ( 0.3333333 0.5773503 0.0119571), wk = 0.0023641 k( 375) = ( 0.3333333 0.5773503 0.0239141), wk = 0.0023641 k( 376) = ( 0.3333333 0.5773503 0.0358712), wk = 0.0023641 k( 377) = ( 0.3333333 0.5773503 0.0478283), wk = 0.0023641 k( 378) = ( 0.3333333 0.5773503 0.0597854), wk = 0.0023641 k( 379) = ( 0.3333333 0.5773503 0.0717424), wk = 0.0023641 k( 380) = ( 0.3333333 0.5773503 0.0836995), wk = 0.0023641 k( 381) = ( 0.3333333 0.5773503 0.0956566), wk = 0.0023641 k( 382) = ( 0.3333333 0.5773503 0.1076136), wk = 0.0023641 k( 383) = ( 0.3333333 0.5773503 0.1195707), wk = 0.0023641 k( 384) = ( 0.3333333 0.5773503 0.1315278), wk = 0.0023641 k( 385) = ( 0.3333333 0.5773503 0.1434848), wk = 0.0023641 k( 386) = ( 0.3333333 0.5773503 0.1554419), wk = 0.0023641 k( 387) = ( 0.3333333 0.5773503 0.1673990), wk = 0.0023641 k( 388) = ( 0.3333333 0.5773503 0.1793561), wk = 0.0023641 k( 389) = ( 0.3333333 0.5773503 0.1913131), wk = 0.0023641 k( 390) = ( 0.3333333 0.5773503 0.2032702), wk = 0.0023641 k( 391) = ( 0.3333333 0.5773503 0.2152273), wk = 0.0023641 k( 392) = ( 0.3333333 0.5773503 0.2271843), wk = 0.0023641 k( 393) = ( 0.3333333 0.5773503 0.2391414), wk = 0.0023641 k( 394) = ( 0.3333333 0.5773503 0.2510985), wk = 0.0023641 k( 395) = ( 0.3333333 0.5773503 0.2630556), wk = 0.0023641 k( 396) = ( 0.3333333 0.5773503 0.2750126), wk = 0.0023641 k( 397) = ( 0.3333333 0.5773503 0.2869697), wk = 0.0023641 k( 398) = ( 0.3333333 0.5773503 0.2989268), wk = 0.0023641 k( 399) = ( 0.3333333 0.5773503 0.3108838), wk = 0.0023641 k( 400) = ( 0.3333333 0.5773503 0.3228409), wk = 0.0023641 k( 401) = ( 0.3333333 0.5773503 0.3347980), wk = 0.0023641 k( 402) = ( 0.3333333 0.5773503 0.3467551), wk = 0.0023641 k( 403) = ( 0.3333333 0.5773503 0.3587121), wk = 0.0023641 k( 404) = ( 0.3333333 0.5773503 0.3706692), wk = 0.0023641 k( 405) = ( 0.3333333 0.5773503 0.3826263), wk = 0.0023641 k( 406) = ( 0.3333333 0.5773503 0.3945833), wk = 0.0023641 k( 407) = ( 0.3333333 0.5773503 0.4065404), wk = 0.0023641 k( 408) = ( 0.3333333 0.5773503 0.4184975), wk = 0.0023641 k( 409) = ( 0.3333333 0.5773503 0.4304545), wk = 0.0023641 k( 410) = ( 0.3333333 0.5773503 0.4424116), wk = 0.0023641 k( 411) = ( 0.3333333 0.5773503 0.4543687), wk = 0.0023641 k( 412) = ( 0.3333333 0.5773503 0.4663258), wk = 0.0023641 k( 413) = ( 0.3333333 0.5773503 0.4782828), wk = 0.0023641 k( 414) = ( 0.3333333 0.5773503 0.4902399), wk = 0.0023641 k( 415) = ( 0.3333333 0.5773503 0.5021970), wk = 0.0023641 k( 416) = ( 0.3333333 0.5773503 0.5141540), wk = 0.0023641 k( 417) = ( 0.3333333 0.5773503 0.5261111), wk = 0.0023641 k( 418) = ( 0.3333333 0.5773503 0.5380682), wk = 0.0023641 k( 419) = ( 0.3333333 0.5773503 0.5500253), wk = 0.0023641 k( 420) = ( 0.3333333 0.5773503 0.5619823), wk = 0.0023641 k( 421) = ( 0.3333333 0.5773503 0.5739394), wk = 0.0023641 k( 422) = ( 0.3333333 0.5773503 0.5858965), wk = 0.0023641 k( 423) = ( 0.3333333 0.5773503 0.5978535), wk = 0.0023641 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023641 k( 2) = ( 0.0104167 -0.0000000 -0.0000000), wk = 0.0023641 k( 3) = ( 0.0208333 0.0000000 -0.0000000), wk = 0.0023641 k( 4) = ( 0.0312500 0.0000000 -0.0000000), wk = 0.0023641 k( 5) = ( 0.0416667 0.0000000 -0.0000000), wk = 0.0023641 k( 6) = ( 0.0520833 -0.0000000 -0.0000000), wk = 0.0023641 k( 7) = ( 0.0625000 0.0000000 -0.0000000), wk = 0.0023641 k( 8) = ( 0.0729167 -0.0000000 -0.0000000), wk = 0.0023641 k( 9) = ( 0.0833333 0.0000000 -0.0000000), wk = 0.0023641 k( 10) = ( 0.0937500 0.0000000 -0.0000000), wk = 0.0023641 k( 11) = ( 0.1041667 -0.0000000 -0.0000000), wk = 0.0023641 k( 12) = ( 0.1145833 0.0000000 -0.0000000), wk = 0.0023641 k( 13) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0023641 k( 14) = ( 0.1354167 -0.0000000 -0.0000000), wk = 0.0023641 k( 15) = ( 0.1458333 -0.0000000 -0.0000000), wk = 0.0023641 k( 16) = ( 0.1562500 -0.0000000 -0.0000000), wk = 0.0023641 k( 17) = ( 0.1666667 0.0000000 -0.0000000), wk = 0.0023641 k( 18) = ( 0.1770833 -0.0000000 -0.0000000), wk = 0.0023641 k( 19) = ( 0.1875000 0.0000000 -0.0000000), wk = 0.0023641 k( 20) = ( 0.1979167 -0.0000000 0.0000000), wk = 0.0023641 k( 21) = ( 0.2083333 -0.0000000 -0.0000000), wk = 0.0023641 k( 22) = ( 0.2187500 -0.0000000 -0.0000000), wk = 0.0023641 k( 23) = ( 0.2291667 -0.0000000 -0.0000000), wk = 0.0023641 k( 24) = ( 0.2395833 0.0000000 -0.0000000), wk = 0.0023641 k( 25) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0023641 k( 26) = ( 0.2604167 -0.0000000 -0.0000000), wk = 0.0023641 k( 27) = ( 0.2708333 -0.0000000 -0.0000000), wk = 0.0023641 k( 28) = ( 0.2812500 -0.0000000 0.0000000), wk = 0.0023641 k( 29) = ( 0.2916667 -0.0000000 -0.0000000), wk = 0.0023641 k( 30) = ( 0.3020833 -0.0000000 -0.0000000), wk = 0.0023641 k( 31) = ( 0.3125000 -0.0000000 -0.0000000), wk = 0.0023641 k( 32) = ( 0.3229167 -0.0000000 -0.0000000), wk = 0.0023641 k( 33) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0023641 k( 34) = ( 0.3437500 -0.0000000 -0.0000000), wk = 0.0023641 k( 35) = ( 0.3541667 0.0000000 -0.0000000), wk = 0.0023641 k( 36) = ( 0.3645833 -0.0000000 -0.0000000), wk = 0.0023641 k( 37) = ( 0.3750000 0.0000000 -0.0000000), wk = 0.0023641 k( 38) = ( 0.3854167 -0.0000000 -0.0000000), wk = 0.0023641 k( 39) = ( 0.3958333 -0.0000000 -0.0000000), wk = 0.0023641 k( 40) = ( 0.4062500 -0.0000000 -0.0000000), wk = 0.0023641 k( 41) = ( 0.4166667 -0.0000000 -0.0000000), wk = 0.0023641 k( 42) = ( 0.4270833 -0.0000000 -0.0000000), wk = 0.0023641 k( 43) = ( 0.4375000 -0.0000000 -0.0000000), wk = 0.0023641 k( 44) = ( 0.4479167 -0.0000000 -0.0000000), wk = 0.0023641 k( 45) = ( 0.4583333 -0.0000000 -0.0000000), wk = 0.0023641 k( 46) = ( 0.4687500 -0.0000000 -0.0000000), wk = 0.0023641 k( 47) = ( 0.4791667 0.0000000 -0.0000000), wk = 0.0023641 k( 48) = ( 0.4895833 -0.0000000 -0.0000000), wk = 0.0023641 k( 49) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0023641 k( 50) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0023641 k( 51) = ( 0.4940476 0.0119048 -0.0000000), wk = 0.0023641 k( 52) = ( 0.4880952 0.0238095 -0.0000000), wk = 0.0023641 k( 53) = ( 0.4821429 0.0357143 -0.0000000), wk = 0.0023641 k( 54) = ( 0.4761905 0.0476190 -0.0000000), wk = 0.0023641 k( 55) = ( 0.4702381 0.0595238 -0.0000000), wk = 0.0023641 k( 56) = ( 0.4642857 0.0714286 0.0000000), wk = 0.0023641 k( 57) = ( 0.4583333 0.0833333 -0.0000000), wk = 0.0023641 k( 58) = ( 0.4523810 0.0952381 -0.0000000), wk = 0.0023641 k( 59) = ( 0.4464286 0.1071429 -0.0000000), wk = 0.0023641 k( 60) = ( 0.4404762 0.1190476 -0.0000000), wk = 0.0023641 k( 61) = ( 0.4345238 0.1309524 -0.0000000), wk = 0.0023641 k( 62) = ( 0.4285714 0.1428571 -0.0000000), wk = 0.0023641 k( 63) = ( 0.4226190 0.1547619 -0.0000000), wk = 0.0023641 k( 64) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0023641 k( 65) = ( 0.4107143 0.1785714 -0.0000000), wk = 0.0023641 k( 66) = ( 0.4047619 0.1904762 0.0000000), wk = 0.0023641 k( 67) = ( 0.3988095 0.2023810 -0.0000000), wk = 0.0023641 k( 68) = ( 0.3928571 0.2142857 -0.0000000), wk = 0.0023641 k( 69) = ( 0.3869048 0.2261905 -0.0000000), wk = 0.0023641 k( 70) = ( 0.3809524 0.2380952 -0.0000000), wk = 0.0023641 k( 71) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0023641 k( 72) = ( 0.3690476 0.2619048 -0.0000000), wk = 0.0023641 k( 73) = ( 0.3630952 0.2738095 -0.0000000), wk = 0.0023641 k( 74) = ( 0.3571429 0.2857143 -0.0000000), wk = 0.0023641 k( 75) = ( 0.3511905 0.2976190 -0.0000000), wk = 0.0023641 k( 76) = ( 0.3452381 0.3095238 -0.0000000), wk = 0.0023641 k( 77) = ( 0.3392857 0.3214286 -0.0000000), wk = 0.0023641 k( 78) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0023641 k( 79) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0023641 k( 80) = ( 0.3273810 0.3273810 -0.0000000), wk = 0.0023641 k( 81) = ( 0.3214286 0.3214286 0.0000000), wk = 0.0023641 k( 82) = ( 0.3154762 0.3154762 -0.0000000), wk = 0.0023641 k( 83) = ( 0.3095238 0.3095238 0.0000000), wk = 0.0023641 k( 84) = ( 0.3035714 0.3035714 -0.0000000), wk = 0.0023641 k( 85) = ( 0.2976190 0.2976190 -0.0000000), wk = 0.0023641 k( 86) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0023641 k( 87) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0023641 k( 88) = ( 0.2797619 0.2797619 -0.0000000), wk = 0.0023641 k( 89) = ( 0.2738095 0.2738095 0.0000000), wk = 0.0023641 k( 90) = ( 0.2678571 0.2678571 -0.0000000), wk = 0.0023641 k( 91) = ( 0.2619048 0.2619048 -0.0000000), wk = 0.0023641 k( 92) = ( 0.2559524 0.2559524 -0.0000000), wk = 0.0023641 k( 93) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0023641 k( 94) = ( 0.2440476 0.2440476 -0.0000000), wk = 0.0023641 k( 95) = ( 0.2380952 0.2380952 -0.0000000), wk = 0.0023641 k( 96) = ( 0.2321429 0.2321429 -0.0000000), wk = 0.0023641 k( 97) = ( 0.2261905 0.2261905 -0.0000000), wk = 0.0023641 k( 98) = ( 0.2202381 0.2202381 0.0000000), wk = 0.0023641 k( 99) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0023641 k( 100) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0023641 k( 101) = ( 0.2023810 0.2023810 -0.0000000), wk = 0.0023641 k( 102) = ( 0.1964286 0.1964286 -0.0000000), wk = 0.0023641 k( 103) = ( 0.1904762 0.1904762 -0.0000000), wk = 0.0023641 k( 104) = ( 0.1845238 0.1845238 -0.0000000), wk = 0.0023641 k( 105) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0023641 k( 106) = ( 0.1726190 0.1726190 -0.0000000), wk = 0.0023641 k( 107) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0023641 k( 108) = ( 0.1607143 0.1607143 -0.0000000), wk = 0.0023641 k( 109) = ( 0.1547619 0.1547619 -0.0000000), wk = 0.0023641 k( 110) = ( 0.1488095 0.1488095 -0.0000000), wk = 0.0023641 k( 111) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0023641 k( 112) = ( 0.1369048 0.1369048 0.0000000), wk = 0.0023641 k( 113) = ( 0.1309524 0.1309524 -0.0000000), wk = 0.0023641 k( 114) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0023641 k( 115) = ( 0.1190476 0.1190476 -0.0000000), wk = 0.0023641 k( 116) = ( 0.1130952 0.1130952 -0.0000000), wk = 0.0023641 k( 117) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0023641 k( 118) = ( 0.1011905 0.1011905 -0.0000000), wk = 0.0023641 k( 119) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0023641 k( 120) = ( 0.0892857 0.0892857 0.0000000), wk = 0.0023641 k( 121) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0023641 k( 122) = ( 0.0773810 0.0773810 -0.0000000), wk = 0.0023641 k( 123) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0023641 k( 124) = ( 0.0654762 0.0654762 -0.0000000), wk = 0.0023641 k( 125) = ( 0.0595238 0.0595238 -0.0000000), wk = 0.0023641 k( 126) = ( 0.0535714 0.0535714 -0.0000000), wk = 0.0023641 k( 127) = ( 0.0476191 0.0476191 -0.0000000), wk = 0.0023641 k( 128) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0023641 k( 129) = ( 0.0357143 0.0357143 -0.0000000), wk = 0.0023641 k( 130) = ( 0.0297619 0.0297619 -0.0000000), wk = 0.0023641 k( 131) = ( 0.0238095 0.0238095 -0.0000000), wk = 0.0023641 k( 132) = ( 0.0178571 0.0178571 -0.0000000), wk = 0.0023641 k( 133) = ( 0.0119048 0.0119048 -0.0000000), wk = 0.0023641 k( 134) = ( 0.0059524 0.0059524 -0.0000000), wk = 0.0023641 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023641 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023641 k( 137) = ( 0.0000000 0.0000000 0.0100000), wk = 0.0023641 k( 138) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0023641 k( 139) = ( 0.0000000 0.0000000 0.0300000), wk = 0.0023641 k( 140) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0023641 k( 141) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0023641 k( 142) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0023641 k( 143) = ( 0.0000000 0.0000000 0.0700000), wk = 0.0023641 k( 144) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0023641 k( 145) = ( 0.0000000 0.0000000 0.0900000), wk = 0.0023641 k( 146) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0023641 k( 147) = ( 0.0000000 0.0000000 0.1100000), wk = 0.0023641 k( 148) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0023641 k( 149) = ( 0.0000000 0.0000000 0.1300000), wk = 0.0023641 k( 150) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0023641 k( 151) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0023641 k( 152) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0023641 k( 153) = ( 0.0000000 0.0000000 0.1700000), wk = 0.0023641 k( 154) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0023641 k( 155) = ( 0.0000000 0.0000000 0.1900000), wk = 0.0023641 k( 156) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0023641 k( 157) = ( 0.0000000 0.0000000 0.2100000), wk = 0.0023641 k( 158) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0023641 k( 159) = ( 0.0000000 0.0000000 0.2300000), wk = 0.0023641 k( 160) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0023641 k( 161) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0023641 k( 162) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0023641 k( 163) = ( 0.0000000 0.0000000 0.2700000), wk = 0.0023641 k( 164) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0023641 k( 165) = ( 0.0000000 0.0000000 0.2900000), wk = 0.0023641 k( 166) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0023641 k( 167) = ( 0.0000000 0.0000000 0.3100000), wk = 0.0023641 k( 168) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0023641 k( 169) = ( 0.0000000 0.0000000 0.3300000), wk = 0.0023641 k( 170) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0023641 k( 171) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0023641 k( 172) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0023641 k( 173) = ( 0.0000000 0.0000000 0.3700000), wk = 0.0023641 k( 174) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0023641 k( 175) = ( 0.0000000 0.0000000 0.3900000), wk = 0.0023641 k( 176) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0023641 k( 177) = ( 0.0000000 0.0000000 0.4100000), wk = 0.0023641 k( 178) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0023641 k( 179) = ( 0.0000000 0.0000000 0.4300000), wk = 0.0023641 k( 180) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0023641 k( 181) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0023641 k( 182) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0023641 k( 183) = ( 0.0000000 0.0000000 0.4700000), wk = 0.0023641 k( 184) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0023641 k( 185) = ( 0.0000000 0.0000000 0.4900000), wk = 0.0023641 k( 186) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023641 k( 187) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023641 k( 188) = ( 0.0104167 -0.0000000 0.5000000), wk = 0.0023641 k( 189) = ( 0.0208333 0.0000000 0.5000000), wk = 0.0023641 k( 190) = ( 0.0312500 0.0000000 0.5000000), wk = 0.0023641 k( 191) = ( 0.0416667 0.0000000 0.5000000), wk = 0.0023641 k( 192) = ( 0.0520833 -0.0000000 0.5000000), wk = 0.0023641 k( 193) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0023641 k( 194) = ( 0.0729167 -0.0000000 0.5000000), wk = 0.0023641 k( 195) = ( 0.0833333 0.0000000 0.5000000), wk = 0.0023641 k( 196) = ( 0.0937500 0.0000000 0.5000000), wk = 0.0023641 k( 197) = ( 0.1041667 -0.0000000 0.5000000), wk = 0.0023641 k( 198) = ( 0.1145833 0.0000000 0.5000000), wk = 0.0023641 k( 199) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0023641 k( 200) = ( 0.1354167 -0.0000000 0.5000000), wk = 0.0023641 k( 201) = ( 0.1458333 -0.0000000 0.5000000), wk = 0.0023641 k( 202) = ( 0.1562500 -0.0000000 0.5000000), wk = 0.0023641 k( 203) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0023641 k( 204) = ( 0.1770833 -0.0000000 0.5000000), wk = 0.0023641 k( 205) = ( 0.1875000 0.0000000 0.5000000), wk = 0.0023641 k( 206) = ( 0.1979167 -0.0000000 0.5000000), wk = 0.0023641 k( 207) = ( 0.2083333 -0.0000000 0.5000000), wk = 0.0023641 k( 208) = ( 0.2187500 -0.0000000 0.5000000), wk = 0.0023641 k( 209) = ( 0.2291667 -0.0000000 0.5000000), wk = 0.0023641 k( 210) = ( 0.2395833 0.0000000 0.5000000), wk = 0.0023641 k( 211) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0023641 k( 212) = ( 0.2604167 -0.0000000 0.5000000), wk = 0.0023641 k( 213) = ( 0.2708333 -0.0000000 0.5000000), wk = 0.0023641 k( 214) = ( 0.2812500 -0.0000000 0.5000000), wk = 0.0023641 k( 215) = ( 0.2916667 -0.0000000 0.5000000), wk = 0.0023641 k( 216) = ( 0.3020833 -0.0000000 0.5000000), wk = 0.0023641 k( 217) = ( 0.3125000 -0.0000000 0.5000000), wk = 0.0023641 k( 218) = ( 0.3229167 -0.0000000 0.5000000), wk = 0.0023641 k( 219) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0023641 k( 220) = ( 0.3437500 -0.0000000 0.5000000), wk = 0.0023641 k( 221) = ( 0.3541667 0.0000000 0.5000000), wk = 0.0023641 k( 222) = ( 0.3645833 -0.0000000 0.5000000), wk = 0.0023641 k( 223) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0023641 k( 224) = ( 0.3854167 -0.0000000 0.5000000), wk = 0.0023641 k( 225) = ( 0.3958333 -0.0000000 0.5000000), wk = 0.0023641 k( 226) = ( 0.4062500 -0.0000000 0.5000000), wk = 0.0023641 k( 227) = ( 0.4166667 -0.0000000 0.5000000), wk = 0.0023641 k( 228) = ( 0.4270833 -0.0000000 0.5000000), wk = 0.0023641 k( 229) = ( 0.4375000 -0.0000000 0.5000000), wk = 0.0023641 k( 230) = ( 0.4479167 -0.0000000 0.5000000), wk = 0.0023641 k( 231) = ( 0.4583333 -0.0000000 0.5000000), wk = 0.0023641 k( 232) = ( 0.4687500 -0.0000000 0.5000000), wk = 0.0023641 k( 233) = ( 0.4791667 0.0000000 0.5000000), wk = 0.0023641 k( 234) = ( 0.4895833 -0.0000000 0.5000000), wk = 0.0023641 k( 235) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023641 k( 236) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023641 k( 237) = ( 0.4940476 0.0119048 0.5000000), wk = 0.0023641 k( 238) = ( 0.4880952 0.0238095 0.5000000), wk = 0.0023641 k( 239) = ( 0.4821429 0.0357143 0.5000000), wk = 0.0023641 k( 240) = ( 0.4761905 0.0476190 0.5000000), wk = 0.0023641 k( 241) = ( 0.4702381 0.0595238 0.5000000), wk = 0.0023641 k( 242) = ( 0.4642857 0.0714286 0.5000000), wk = 0.0023641 k( 243) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0023641 k( 244) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0023641 k( 245) = ( 0.4464286 0.1071429 0.5000000), wk = 0.0023641 k( 246) = ( 0.4404762 0.1190476 0.5000000), wk = 0.0023641 k( 247) = ( 0.4345238 0.1309524 0.5000000), wk = 0.0023641 k( 248) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0023641 k( 249) = ( 0.4226190 0.1547619 0.5000000), wk = 0.0023641 k( 250) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0023641 k( 251) = ( 0.4107143 0.1785714 0.5000000), wk = 0.0023641 k( 252) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0023641 k( 253) = ( 0.3988095 0.2023810 0.5000000), wk = 0.0023641 k( 254) = ( 0.3928571 0.2142857 0.5000000), wk = 0.0023641 k( 255) = ( 0.3869048 0.2261905 0.5000000), wk = 0.0023641 k( 256) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0023641 k( 257) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0023641 k( 258) = ( 0.3690476 0.2619048 0.5000000), wk = 0.0023641 k( 259) = ( 0.3630952 0.2738095 0.5000000), wk = 0.0023641 k( 260) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0023641 k( 261) = ( 0.3511905 0.2976190 0.5000000), wk = 0.0023641 k( 262) = ( 0.3452381 0.3095238 0.5000000), wk = 0.0023641 k( 263) = ( 0.3392857 0.3214286 0.5000000), wk = 0.0023641 k( 264) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0023641 k( 265) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0023641 k( 266) = ( 0.3273810 0.3273810 0.5000000), wk = 0.0023641 k( 267) = ( 0.3214286 0.3214286 0.5000000), wk = 0.0023641 k( 268) = ( 0.3154762 0.3154762 0.5000000), wk = 0.0023641 k( 269) = ( 0.3095238 0.3095238 0.5000000), wk = 0.0023641 k( 270) = ( 0.3035714 0.3035714 0.5000000), wk = 0.0023641 k( 271) = ( 0.2976190 0.2976190 0.5000000), wk = 0.0023641 k( 272) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0023641 k( 273) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0023641 k( 274) = ( 0.2797619 0.2797619 0.5000000), wk = 0.0023641 k( 275) = ( 0.2738095 0.2738095 0.5000000), wk = 0.0023641 k( 276) = ( 0.2678571 0.2678571 0.5000000), wk = 0.0023641 k( 277) = ( 0.2619048 0.2619048 0.5000000), wk = 0.0023641 k( 278) = ( 0.2559524 0.2559524 0.5000000), wk = 0.0023641 k( 279) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0023641 k( 280) = ( 0.2440476 0.2440476 0.5000000), wk = 0.0023641 k( 281) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0023641 k( 282) = ( 0.2321429 0.2321429 0.5000000), wk = 0.0023641 k( 283) = ( 0.2261905 0.2261905 0.5000000), wk = 0.0023641 k( 284) = ( 0.2202381 0.2202381 0.5000000), wk = 0.0023641 k( 285) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0023641 k( 286) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0023641 k( 287) = ( 0.2023810 0.2023810 0.5000000), wk = 0.0023641 k( 288) = ( 0.1964286 0.1964286 0.5000000), wk = 0.0023641 k( 289) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0023641 k( 290) = ( 0.1845238 0.1845238 0.5000000), wk = 0.0023641 k( 291) = ( 0.1785714 0.1785714 0.5000000), wk = 0.0023641 k( 292) = ( 0.1726190 0.1726190 0.5000000), wk = 0.0023641 k( 293) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0023641 k( 294) = ( 0.1607143 0.1607143 0.5000000), wk = 0.0023641 k( 295) = ( 0.1547619 0.1547619 0.5000000), wk = 0.0023641 k( 296) = ( 0.1488095 0.1488095 0.5000000), wk = 0.0023641 k( 297) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0023641 k( 298) = ( 0.1369048 0.1369048 0.5000000), wk = 0.0023641 k( 299) = ( 0.1309524 0.1309524 0.5000000), wk = 0.0023641 k( 300) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0023641 k( 301) = ( 0.1190476 0.1190476 0.5000000), wk = 0.0023641 k( 302) = ( 0.1130952 0.1130952 0.5000000), wk = 0.0023641 k( 303) = ( 0.1071429 0.1071429 0.5000000), wk = 0.0023641 k( 304) = ( 0.1011905 0.1011905 0.5000000), wk = 0.0023641 k( 305) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0023641 k( 306) = ( 0.0892857 0.0892857 0.5000000), wk = 0.0023641 k( 307) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0023641 k( 308) = ( 0.0773810 0.0773810 0.5000000), wk = 0.0023641 k( 309) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0023641 k( 310) = ( 0.0654762 0.0654762 0.5000000), wk = 0.0023641 k( 311) = ( 0.0595238 0.0595238 0.5000000), wk = 0.0023641 k( 312) = ( 0.0535714 0.0535714 0.5000000), wk = 0.0023641 k( 313) = ( 0.0476191 0.0476191 0.5000000), wk = 0.0023641 k( 314) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0023641 k( 315) = ( 0.0357143 0.0357143 0.5000000), wk = 0.0023641 k( 316) = ( 0.0297619 0.0297619 0.5000000), wk = 0.0023641 k( 317) = ( 0.0238095 0.0238095 0.5000000), wk = 0.0023641 k( 318) = ( 0.0178571 0.0178571 0.5000000), wk = 0.0023641 k( 319) = ( 0.0119048 0.0119048 0.5000000), wk = 0.0023641 k( 320) = ( 0.0059524 0.0059524 0.5000000), wk = 0.0023641 k( 321) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023641 k( 322) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023641 k( 323) = ( 0.5000000 0.0000000 0.4900000), wk = 0.0023641 k( 324) = ( 0.5000000 0.0000000 0.4800000), wk = 0.0023641 k( 325) = ( 0.5000000 0.0000000 0.4700000), wk = 0.0023641 k( 326) = ( 0.5000000 0.0000000 0.4600000), wk = 0.0023641 k( 327) = ( 0.5000000 0.0000000 0.4500000), wk = 0.0023641 k( 328) = ( 0.5000000 0.0000000 0.4400000), wk = 0.0023641 k( 329) = ( 0.5000000 0.0000000 0.4300000), wk = 0.0023641 k( 330) = ( 0.5000000 0.0000000 0.4200000), wk = 0.0023641 k( 331) = ( 0.5000000 0.0000000 0.4100000), wk = 0.0023641 k( 332) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0023641 k( 333) = ( 0.5000000 0.0000000 0.3900000), wk = 0.0023641 k( 334) = ( 0.5000000 0.0000000 0.3800000), wk = 0.0023641 k( 335) = ( 0.5000000 0.0000000 0.3700000), wk = 0.0023641 k( 336) = ( 0.5000000 0.0000000 0.3600000), wk = 0.0023641 k( 337) = ( 0.5000000 0.0000000 0.3500000), wk = 0.0023641 k( 338) = ( 0.5000000 0.0000000 0.3400000), wk = 0.0023641 k( 339) = ( 0.5000000 0.0000000 0.3300000), wk = 0.0023641 k( 340) = ( 0.5000000 0.0000000 0.3200000), wk = 0.0023641 k( 341) = ( 0.5000000 0.0000000 0.3100000), wk = 0.0023641 k( 342) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0023641 k( 343) = ( 0.5000000 0.0000000 0.2900000), wk = 0.0023641 k( 344) = ( 0.5000000 0.0000000 0.2800000), wk = 0.0023641 k( 345) = ( 0.5000000 0.0000000 0.2700000), wk = 0.0023641 k( 346) = ( 0.5000000 0.0000000 0.2600000), wk = 0.0023641 k( 347) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0023641 k( 348) = ( 0.5000000 0.0000000 0.2400000), wk = 0.0023641 k( 349) = ( 0.5000000 0.0000000 0.2300000), wk = 0.0023641 k( 350) = ( 0.5000000 0.0000000 0.2200000), wk = 0.0023641 k( 351) = ( 0.5000000 0.0000000 0.2100000), wk = 0.0023641 k( 352) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0023641 k( 353) = ( 0.5000000 0.0000000 0.1900000), wk = 0.0023641 k( 354) = ( 0.5000000 0.0000000 0.1800000), wk = 0.0023641 k( 355) = ( 0.5000000 0.0000000 0.1700000), wk = 0.0023641 k( 356) = ( 0.5000000 0.0000000 0.1600000), wk = 0.0023641 k( 357) = ( 0.5000000 0.0000000 0.1500000), wk = 0.0023641 k( 358) = ( 0.5000000 0.0000000 0.1400000), wk = 0.0023641 k( 359) = ( 0.5000000 0.0000000 0.1300000), wk = 0.0023641 k( 360) = ( 0.5000000 0.0000000 0.1200000), wk = 0.0023641 k( 361) = ( 0.5000000 0.0000000 0.1100000), wk = 0.0023641 k( 362) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0023641 k( 363) = ( 0.5000000 0.0000000 0.0900000), wk = 0.0023641 k( 364) = ( 0.5000000 0.0000000 0.0800000), wk = 0.0023641 k( 365) = ( 0.5000000 0.0000000 0.0700000), wk = 0.0023641 k( 366) = ( 0.5000000 0.0000000 0.0600000), wk = 0.0023641 k( 367) = ( 0.5000000 0.0000000 0.0500000), wk = 0.0023641 k( 368) = ( 0.5000000 0.0000000 0.0400000), wk = 0.0023641 k( 369) = ( 0.5000000 0.0000000 0.0300000), wk = 0.0023641 k( 370) = ( 0.5000000 0.0000000 0.0200000), wk = 0.0023641 k( 371) = ( 0.5000000 0.0000000 0.0100000), wk = 0.0023641 k( 372) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0023641 k( 373) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0023641 k( 374) = ( 0.3333333 0.3333333 0.0100000), wk = 0.0023641 k( 375) = ( 0.3333333 0.3333333 0.0200000), wk = 0.0023641 k( 376) = ( 0.3333333 0.3333333 0.0300000), wk = 0.0023641 k( 377) = ( 0.3333333 0.3333333 0.0400000), wk = 0.0023641 k( 378) = ( 0.3333333 0.3333333 0.0500000), wk = 0.0023641 k( 379) = ( 0.3333333 0.3333333 0.0600000), wk = 0.0023641 k( 380) = ( 0.3333333 0.3333333 0.0700000), wk = 0.0023641 k( 381) = ( 0.3333333 0.3333333 0.0800000), wk = 0.0023641 k( 382) = ( 0.3333333 0.3333333 0.0900000), wk = 0.0023641 k( 383) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0023641 k( 384) = ( 0.3333333 0.3333333 0.1100000), wk = 0.0023641 k( 385) = ( 0.3333333 0.3333333 0.1200000), wk = 0.0023641 k( 386) = ( 0.3333333 0.3333333 0.1300000), wk = 0.0023641 k( 387) = ( 0.3333333 0.3333333 0.1400000), wk = 0.0023641 k( 388) = ( 0.3333333 0.3333333 0.1500000), wk = 0.0023641 k( 389) = ( 0.3333333 0.3333333 0.1600000), wk = 0.0023641 k( 390) = ( 0.3333333 0.3333333 0.1700000), wk = 0.0023641 k( 391) = ( 0.3333333 0.3333333 0.1800000), wk = 0.0023641 k( 392) = ( 0.3333333 0.3333333 0.1900000), wk = 0.0023641 k( 393) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0023641 k( 394) = ( 0.3333333 0.3333333 0.2100000), wk = 0.0023641 k( 395) = ( 0.3333333 0.3333333 0.2200000), wk = 0.0023641 k( 396) = ( 0.3333333 0.3333333 0.2300000), wk = 0.0023641 k( 397) = ( 0.3333333 0.3333333 0.2400000), wk = 0.0023641 k( 398) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0023641 k( 399) = ( 0.3333333 0.3333333 0.2600000), wk = 0.0023641 k( 400) = ( 0.3333333 0.3333333 0.2700000), wk = 0.0023641 k( 401) = ( 0.3333333 0.3333333 0.2800000), wk = 0.0023641 k( 402) = ( 0.3333333 0.3333333 0.2900000), wk = 0.0023641 k( 403) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0023641 k( 404) = ( 0.3333333 0.3333333 0.3100000), wk = 0.0023641 k( 405) = ( 0.3333333 0.3333333 0.3200000), wk = 0.0023641 k( 406) = ( 0.3333333 0.3333333 0.3300000), wk = 0.0023641 k( 407) = ( 0.3333333 0.3333333 0.3400000), wk = 0.0023641 k( 408) = ( 0.3333333 0.3333333 0.3500000), wk = 0.0023641 k( 409) = ( 0.3333333 0.3333333 0.3600000), wk = 0.0023641 k( 410) = ( 0.3333333 0.3333333 0.3700000), wk = 0.0023641 k( 411) = ( 0.3333333 0.3333333 0.3800000), wk = 0.0023641 k( 412) = ( 0.3333333 0.3333333 0.3900000), wk = 0.0023641 k( 413) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0023641 k( 414) = ( 0.3333333 0.3333333 0.4100000), wk = 0.0023641 k( 415) = ( 0.3333333 0.3333333 0.4200000), wk = 0.0023641 k( 416) = ( 0.3333333 0.3333333 0.4300000), wk = 0.0023641 k( 417) = ( 0.3333333 0.3333333 0.4400000), wk = 0.0023641 k( 418) = ( 0.3333333 0.3333333 0.4500000), wk = 0.0023641 k( 419) = ( 0.3333333 0.3333333 0.4600000), wk = 0.0023641 k( 420) = ( 0.3333333 0.3333333 0.4700000), wk = 0.0023641 k( 421) = ( 0.3333333 0.3333333 0.4800000), wk = 0.0023641 k( 422) = ( 0.3333333 0.3333333 0.4900000), wk = 0.0023641 k( 423) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0023641 Dense grid: 115347 G-vectors FFT dimensions: ( 72, 72, 60) Smooth grid: 26165 G-vectors FFT dimensions: ( 45, 45, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 196, 28) NL pseudopotentials 0.09 Mb ( 98, 62) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 3205) G-vector shells 0.01 Mb ( 1369) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.33 Mb ( 196, 112) Each subspace H/S matrix 0.01 Mb ( 28, 28) Each matrix 0.05 Mb ( 62, 2, 28) The potential is recalculated from file : ./HfBe2.save/charge-density.dat Starting wfc are 40 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.8 secs Computing kpt #: 2 total cpu time spent up to now is 1.9 secs Computing kpt #: 3 total cpu time spent up to now is 2.1 secs Computing kpt #: 4 total cpu time spent up to now is 2.3 secs Computing kpt #: 5 total cpu time spent up to now is 2.4 secs Computing kpt #: 6 total cpu time spent up to now is 2.6 secs Computing kpt #: 7 total cpu time spent up to now is 2.8 secs Computing kpt #: 8 total cpu time spent up to now is 3.0 secs Computing kpt #: 9 total cpu time spent up to now is 3.1 secs Computing kpt #: 10 total cpu time spent up to now is 3.3 secs Computing kpt #: 11 total cpu time spent up to now is 3.5 secs Computing kpt #: 12 total cpu time spent up to now is 3.7 secs Computing kpt #: 13 total cpu time spent up to now is 3.9 secs Computing kpt #: 14 total cpu time spent up to now is 4.0 secs Computing kpt #: 15 total cpu time spent up to now is 4.2 secs Computing kpt #: 16 total cpu time spent up to now is 4.4 secs Computing kpt #: 17 total cpu time spent up to now is 4.5 secs Computing kpt #: 18 total cpu time spent up to now is 4.7 secs Computing kpt #: 19 total cpu time spent up to now is 4.8 secs Computing kpt #: 20 total cpu time spent up to now is 5.0 secs Computing kpt #: 21 total cpu time spent up to now is 5.1 secs Computing kpt #: 22 total cpu time spent up to now is 5.3 secs Computing kpt #: 23 total cpu time spent up to now is 5.4 secs Computing kpt #: 24 total cpu time spent up to now is 5.6 secs Computing kpt #: 25 total cpu time spent up to now is 5.7 secs Computing kpt #: 26 total cpu time spent up to now is 5.9 secs Computing kpt #: 27 total cpu time spent up to now is 6.0 secs Computing kpt #: 28 total cpu time spent up to now is 6.1 secs Computing kpt #: 29 total cpu time spent up to now is 6.3 secs Computing kpt #: 30 total cpu time spent up to now is 6.4 secs Computing kpt #: 31 total cpu time spent up to now is 6.5 secs Computing kpt #: 32 total cpu time spent up to now is 6.7 secs Computing kpt #: 33 total cpu time spent up to now is 6.8 secs Computing kpt #: 34 total cpu time spent up to now is 6.9 secs Computing kpt #: 35 total cpu time spent up to now is 7.1 secs Computing kpt #: 36 total cpu time spent up to now is 7.2 secs Computing kpt #: 37 total cpu time spent up to now is 7.3 secs Computing kpt #: 38 total cpu time spent up to now is 7.5 secs Computing kpt #: 39 total cpu time spent up to now is 7.6 secs Computing kpt #: 40 total cpu time spent up to now is 7.7 secs Computing kpt #: 41 total cpu time spent up to now is 7.9 secs Computing kpt #: 42 total cpu time spent up to now is 8.0 secs Computing kpt #: 43 total cpu time spent up to now is 8.1 secs Computing kpt #: 44 total cpu time spent up to now is 8.3 secs Computing kpt #: 45 total cpu time spent up to now is 8.4 secs Computing kpt #: 46 total cpu time spent up to now is 8.5 secs Computing kpt #: 47 total cpu time spent up to now is 8.6 secs Computing kpt #: 48 total cpu time spent up to now is 8.8 secs Computing kpt #: 49 total cpu time spent up to now is 8.9 secs Computing kpt #: 50 total cpu time spent up to now is 9.0 secs Computing kpt #: 51 total cpu time spent up to now is 9.2 secs Computing kpt #: 52 total cpu time spent up to now is 9.3 secs Computing kpt #: 53 total cpu time spent up to now is 9.4 secs Computing kpt #: 54 total cpu time spent up to now is 9.6 secs Computing kpt #: 55 total cpu time spent up to now is 9.7 secs Computing kpt #: 56 total cpu time spent up to now is 9.8 secs Computing kpt #: 57 total cpu time spent up to now is 10.0 secs Computing kpt #: 58 total cpu time spent up to now is 10.1 secs Computing kpt #: 59 total cpu time spent up to now is 10.2 secs Computing kpt #: 60 total cpu time spent up to now is 10.3 secs Computing kpt #: 61 total cpu time spent up to now is 10.5 secs Computing kpt #: 62 total cpu time spent up to now is 10.6 secs Computing kpt #: 63 total cpu time spent up to now is 10.7 secs Computing kpt #: 64 total cpu time spent up to now is 10.9 secs Computing kpt #: 65 total cpu time spent up to now is 11.0 secs Computing kpt #: 66 total cpu time spent up to now is 11.1 secs Computing kpt #: 67 total cpu time spent up to now is 11.2 secs Computing kpt #: 68 total cpu time spent up to now is 11.4 secs Computing kpt #: 69 total cpu time spent up to now is 11.5 secs Computing kpt #: 70 total cpu time spent up to now is 11.6 secs Computing kpt #: 71 total cpu time spent up to now is 11.7 secs Computing kpt #: 72 total cpu time spent up to now is 11.9 secs Computing kpt #: 73 total cpu time spent up to now is 12.0 secs Computing kpt #: 74 total cpu time spent up to now is 12.1 secs Computing kpt #: 75 total cpu time spent up to now is 12.2 secs Computing kpt #: 76 total cpu time spent up to now is 12.4 secs Computing kpt #: 77 total cpu time spent up to now is 12.5 secs Computing kpt #: 78 total cpu time spent up to now is 12.6 secs Computing kpt #: 79 total cpu time spent up to now is 12.7 secs Computing kpt #: 80 total cpu time spent up to now is 12.9 secs Computing kpt #: 81 total cpu time spent up to now is 13.0 secs Computing kpt #: 82 total cpu time spent up to now is 13.1 secs Computing kpt #: 83 total cpu time spent up to now is 13.2 secs Computing kpt #: 84 total cpu time spent up to now is 13.3 secs Computing kpt #: 85 total cpu time spent up to now is 13.5 secs Computing kpt #: 86 total cpu time spent up to now is 13.6 secs Computing kpt #: 87 total cpu time spent up to now is 13.7 secs Computing kpt #: 88 total cpu time spent up to now is 13.8 secs Computing kpt #: 89 total cpu time spent up to now is 14.0 secs Computing kpt #: 90 total cpu time spent up to now is 14.1 secs Computing kpt #: 91 total cpu time spent up to now is 14.2 secs Computing kpt #: 92 total cpu time spent up to now is 14.4 secs Computing kpt #: 93 total cpu time spent up to now is 14.5 secs Computing kpt #: 94 total cpu time spent up to now is 14.6 secs Computing kpt #: 95 total cpu time spent up to now is 14.7 secs Computing kpt #: 96 total cpu time spent up to now is 14.9 secs Computing kpt #: 97 total cpu time spent up to now is 15.0 secs Computing kpt #: 98 total cpu time spent up to now is 15.1 secs Computing kpt #: 99 total cpu time spent up to now is 15.3 secs Computing kpt #: 100 total cpu time spent up to now is 15.4 secs Computing kpt #: 101 total cpu time spent up to now is 15.6 secs Computing kpt #: 102 total cpu time spent up to now is 15.7 secs Computing kpt #: 103 total cpu time spent up to now is 15.8 secs Computing kpt #: 104 total cpu time spent up to now is 16.0 secs Computing kpt #: 105 total cpu time spent up to now is 16.1 secs Computing kpt #: 106 total cpu time spent up to now is 16.2 secs Computing kpt #: 107 total cpu time spent up to now is 16.4 secs Computing kpt #: 108 total cpu time spent up to now is 16.5 secs Computing kpt #: 109 total cpu time spent up to now is 16.7 secs Computing kpt #: 110 total cpu time spent up to now is 16.8 secs Computing kpt #: 111 total cpu time spent up to now is 17.0 secs Computing kpt #: 112 total cpu time spent up to now is 17.1 secs Computing kpt #: 113 total cpu time spent up to now is 17.2 secs Computing kpt #: 114 total cpu time spent up to now is 17.4 secs Computing kpt #: 115 total cpu time spent up to now is 17.5 secs Computing kpt #: 116 total cpu time spent up to now is 17.7 secs Computing kpt #: 117 total cpu time spent up to now is 17.8 secs Computing kpt #: 118 total cpu time spent up to now is 18.0 secs Computing kpt #: 119 total cpu time spent up to now is 18.1 secs Computing kpt #: 120 total cpu time spent up to now is 18.3 secs Computing kpt #: 121 total cpu time spent up to now is 18.5 secs Computing kpt #: 122 total cpu time spent up to now is 18.7 secs Computing kpt #: 123 total cpu time spent up to now is 18.8 secs Computing kpt #: 124 total cpu time spent up to now is 19.0 secs Computing kpt #: 125 total cpu time spent up to now is 19.2 secs Computing kpt #: 126 total cpu time spent up to now is 19.4 secs Computing kpt #: 127 total cpu time spent up to now is 19.6 secs Computing kpt #: 128 total cpu time spent up to now is 19.9 secs Computing kpt #: 129 total cpu time spent up to now is 20.1 secs Computing kpt #: 130 total cpu time spent up to now is 20.3 secs Computing kpt #: 131 total cpu time spent up to now is 20.6 secs Computing kpt #: 132 total cpu time spent up to now is 20.8 secs Computing kpt #: 133 total cpu time spent up to now is 21.0 secs Computing kpt #: 134 total cpu time spent up to now is 21.2 secs Computing kpt #: 135 total cpu time spent up to now is 21.4 secs Computing kpt #: 136 total cpu time spent up to now is 21.5 secs Computing kpt #: 137 total cpu time spent up to now is 21.7 secs Computing kpt #: 138 total cpu time spent up to now is 21.9 secs Computing kpt #: 139 total cpu time spent up to now is 22.0 secs Computing kpt #: 140 total cpu time spent up to now is 22.2 secs Computing kpt #: 141 total cpu time spent up to now is 22.4 secs Computing kpt #: 142 total cpu time spent up to now is 22.6 secs Computing kpt #: 143 total cpu time spent up to now is 22.8 secs Computing kpt #: 144 total cpu time spent up to now is 23.0 secs Computing kpt #: 145 total cpu time spent up to now is 23.2 secs Computing kpt #: 146 total cpu time spent up to now is 23.4 secs Computing kpt #: 147 total cpu time spent up to now is 23.6 secs Computing kpt #: 148 total cpu time spent up to now is 23.7 secs Computing kpt #: 149 total cpu time spent up to now is 23.9 secs Computing kpt #: 150 total cpu time spent up to now is 24.1 secs Computing kpt #: 151 total cpu time spent up to now is 24.3 secs Computing kpt #: 152 total cpu time spent up to now is 24.5 secs Computing kpt #: 153 total cpu time spent up to now is 24.7 secs Computing kpt #: 154 total cpu time spent up to now is 24.9 secs Computing kpt #: 155 total cpu time spent up to now is 25.1 secs Computing kpt #: 156 total cpu time spent up to now is 25.3 secs Computing kpt #: 157 total cpu time spent up to now is 25.5 secs Computing kpt #: 158 total cpu time spent up to now is 25.7 secs Computing kpt #: 159 total cpu time spent up to now is 25.9 secs Computing kpt #: 160 total cpu time spent up to now is 26.1 secs Computing kpt #: 161 total cpu time spent up to now is 26.4 secs Computing kpt #: 162 total cpu time spent up to now is 26.5 secs Computing kpt #: 163 total cpu time spent up to now is 26.7 secs Computing kpt #: 164 total cpu time spent up to now is 26.8 secs Computing kpt #: 165 total cpu time spent up to now is 27.0 secs Computing kpt #: 166 total cpu time spent up to now is 27.2 secs Computing kpt #: 167 total cpu time spent up to now is 27.3 secs Computing kpt #: 168 total cpu time spent up to now is 27.5 secs Computing kpt #: 169 total cpu time spent up to now is 27.6 secs Computing kpt #: 170 total cpu time spent up to now is 27.8 secs Computing kpt #: 171 total cpu time spent up to now is 27.9 secs Computing kpt #: 172 total cpu time spent up to now is 28.1 secs Computing kpt #: 173 total cpu time spent up to now is 28.2 secs Computing kpt #: 174 total cpu time spent up to now is 28.3 secs Computing kpt #: 175 total cpu time spent up to now is 28.4 secs Computing kpt #: 176 total cpu time spent up to now is 28.6 secs Computing kpt #: 177 total cpu time spent up to now is 28.7 secs Computing kpt #: 178 total cpu time spent up to now is 28.8 secs Computing kpt #: 179 total cpu time spent up to now is 28.9 secs Computing kpt #: 180 total cpu time spent up to now is 29.1 secs Computing kpt #: 181 total cpu time spent up to now is 29.2 secs Computing kpt #: 182 total cpu time spent up to now is 29.3 secs Computing kpt #: 183 total cpu time spent up to now is 29.4 secs Computing kpt #: 184 total cpu time spent up to now is 29.5 secs Computing kpt #: 185 total cpu time spent up to now is 29.6 secs Computing kpt #: 186 total cpu time spent up to now is 29.8 secs Computing kpt #: 187 total cpu time spent up to now is 29.9 secs Computing kpt #: 188 total cpu time spent up to now is 30.0 secs Computing kpt #: 189 total cpu time spent up to now is 30.1 secs Computing kpt #: 190 total cpu time spent up to now is 30.2 secs Computing kpt #: 191 total cpu time spent up to now is 30.4 secs Computing kpt #: 192 total cpu time spent up to now is 30.5 secs Computing kpt #: 193 total cpu time spent up to now is 30.6 secs Computing kpt #: 194 total cpu time spent up to now is 30.7 secs Computing kpt #: 195 total cpu time spent up to now is 30.8 secs Computing kpt #: 196 total cpu time spent up to now is 31.0 secs Computing kpt #: 197 total cpu time spent up to now is 31.1 secs Computing kpt #: 198 total cpu time spent up to now is 31.2 secs Computing kpt #: 199 total cpu time spent up to now is 31.3 secs Computing kpt #: 200 total cpu time spent up to now is 31.5 secs Computing kpt #: 201 total cpu time spent up to now is 31.6 secs Computing kpt #: 202 total cpu time spent up to now is 31.7 secs Computing kpt #: 203 total cpu time spent up to now is 31.9 secs Computing kpt #: 204 total cpu time spent up to now is 32.0 secs Computing kpt #: 205 total cpu time spent up to now is 32.1 secs Computing kpt #: 206 total cpu time spent up to now is 32.3 secs Computing kpt #: 207 total cpu time spent up to now is 32.5 secs Computing kpt #: 208 total cpu time spent up to now is 32.6 secs Computing kpt #: 209 total cpu time spent up to now is 32.7 secs Computing kpt #: 210 total cpu time spent up to now is 32.9 secs Computing kpt #: 211 total cpu time spent up to now is 33.0 secs Computing kpt #: 212 total cpu time spent up to now is 33.2 secs Computing kpt #: 213 total cpu time spent up to now is 33.3 secs Computing kpt #: 214 total cpu time spent up to now is 33.5 secs Computing kpt #: 215 total cpu time spent up to now is 33.7 secs Computing kpt #: 216 total cpu time spent up to now is 33.8 secs Computing kpt #: 217 total cpu time spent up to now is 34.0 secs Computing kpt #: 218 total cpu time spent up to now is 34.2 secs Computing kpt #: 219 total cpu time spent up to now is 34.4 secs Computing kpt #: 220 total cpu time spent up to now is 34.5 secs Computing kpt #: 221 total cpu time spent up to now is 34.7 secs Computing kpt #: 222 total cpu time spent up to now is 34.8 secs Computing kpt #: 223 total cpu time spent up to now is 35.0 secs Computing kpt #: 224 total cpu time spent up to now is 35.2 secs Computing kpt #: 225 total cpu time spent up to now is 35.3 secs Computing kpt #: 226 total cpu time spent up to now is 35.5 secs Computing kpt #: 227 total cpu time spent up to now is 35.7 secs Computing kpt #: 228 total cpu time spent up to now is 35.8 secs Computing kpt #: 229 total cpu time spent up to now is 36.0 secs Computing kpt #: 230 total cpu time spent up to now is 36.2 secs Computing kpt #: 231 total cpu time spent up to now is 36.3 secs Computing kpt #: 232 total cpu time spent up to now is 36.5 secs Computing kpt #: 233 total cpu time spent up to now is 36.7 secs Computing kpt #: 234 total cpu time spent up to now is 36.9 secs Computing kpt #: 235 total cpu time spent up to now is 37.1 secs Computing kpt #: 236 total cpu time spent up to now is 37.3 secs Computing kpt #: 237 total cpu time spent up to now is 37.5 secs Computing kpt #: 238 total cpu time spent up to now is 37.7 secs Computing kpt #: 239 total cpu time spent up to now is 37.9 secs Computing kpt #: 240 total cpu time spent up to now is 38.0 secs Computing kpt #: 241 total cpu time spent up to now is 38.2 secs Computing kpt #: 242 total cpu time spent up to now is 38.4 secs Computing kpt #: 243 total cpu time spent up to now is 38.6 secs Computing kpt #: 244 total cpu time spent up to now is 38.7 secs Computing kpt #: 245 total cpu time spent up to now is 38.9 secs Computing kpt #: 246 total cpu time spent up to now is 39.1 secs Computing kpt #: 247 total cpu time spent up to now is 39.2 secs Computing kpt #: 248 total cpu time spent up to now is 39.4 secs Computing kpt #: 249 total cpu time spent up to now is 39.6 secs Computing kpt #: 250 total cpu time spent up to now is 39.8 secs Computing kpt #: 251 total cpu time spent up to now is 40.0 secs Computing kpt #: 252 total cpu time spent up to now is 40.1 secs Computing kpt #: 253 total cpu time spent up to now is 40.3 secs Computing kpt #: 254 total cpu time spent up to now is 40.5 secs Computing kpt #: 255 total cpu time spent up to now is 40.7 secs Computing kpt #: 256 total cpu time spent up to now is 40.9 secs Computing kpt #: 257 total cpu time spent up to now is 41.0 secs Computing kpt #: 258 total cpu time spent up to now is 41.2 secs Computing kpt #: 259 total cpu time spent up to now is 41.4 secs Computing kpt #: 260 total cpu time spent up to now is 41.6 secs Computing kpt #: 261 total cpu time spent up to now is 41.8 secs Computing kpt #: 262 total cpu time spent up to now is 41.9 secs Computing kpt #: 263 total cpu time spent up to now is 42.1 secs Computing kpt #: 264 total cpu time spent up to now is 42.3 secs Computing kpt #: 265 total cpu time spent up to now is 42.4 secs Computing kpt #: 266 total cpu time spent up to now is 42.6 secs Computing kpt #: 267 total cpu time spent up to now is 42.7 secs Computing kpt #: 268 total cpu time spent up to now is 42.9 secs Computing kpt #: 269 total cpu time spent up to now is 43.1 secs Computing kpt #: 270 total cpu time spent up to now is 43.3 secs Computing kpt #: 271 total cpu time spent up to now is 43.4 secs Computing kpt #: 272 total cpu time spent up to now is 43.6 secs Computing kpt #: 273 total cpu time spent up to now is 43.8 secs Computing kpt #: 274 total cpu time spent up to now is 44.0 secs Computing kpt #: 275 total cpu time spent up to now is 44.2 secs Computing kpt #: 276 total cpu time spent up to now is 44.3 secs Computing kpt #: 277 total cpu time spent up to now is 44.5 secs Computing kpt #: 278 total cpu time spent up to now is 44.6 secs Computing kpt #: 279 total cpu time spent up to now is 44.8 secs Computing kpt #: 280 total cpu time spent up to now is 44.9 secs Computing kpt #: 281 total cpu time spent up to now is 45.1 secs Computing kpt #: 282 total cpu time spent up to now is 45.2 secs Computing kpt #: 283 total cpu time spent up to now is 45.4 secs Computing kpt #: 284 total cpu time spent up to now is 45.5 secs Computing kpt #: 285 total cpu time spent up to now is 45.7 secs Computing kpt #: 286 total cpu time spent up to now is 45.8 secs Computing kpt #: 287 total cpu time spent up to now is 46.0 secs Computing kpt #: 288 total cpu time spent up to now is 46.1 secs Computing kpt #: 289 total cpu time spent up to now is 46.3 secs Computing kpt #: 290 total cpu time spent up to now is 46.5 secs Computing kpt #: 291 total cpu time spent up to now is 46.7 secs Computing kpt #: 292 total cpu time spent up to now is 46.8 secs Computing kpt #: 293 total cpu time spent up to now is 47.0 secs Computing kpt #: 294 total cpu time spent up to now is 47.2 secs Computing kpt #: 295 total cpu time spent up to now is 47.4 secs Computing kpt #: 296 total cpu time spent up to now is 47.5 secs Computing kpt #: 297 total cpu time spent up to now is 47.7 secs Computing kpt #: 298 total cpu time spent up to now is 47.8 secs Computing kpt #: 299 total cpu time spent up to now is 48.0 secs Computing kpt #: 300 total cpu time spent up to now is 48.1 secs Computing kpt #: 301 total cpu time spent up to now is 48.2 secs Computing kpt #: 302 total cpu time spent up to now is 48.4 secs Computing kpt #: 303 total cpu time spent up to now is 48.5 secs Computing kpt #: 304 total cpu time spent up to now is 48.6 secs Computing kpt #: 305 total cpu time spent up to now is 48.8 secs Computing kpt #: 306 total cpu time spent up to now is 48.9 secs Computing kpt #: 307 total cpu time spent up to now is 49.0 secs Computing kpt #: 308 total cpu time spent up to now is 49.2 secs Computing kpt #: 309 total cpu time spent up to now is 49.3 secs Computing kpt #: 310 total cpu time spent up to now is 49.4 secs Computing kpt #: 311 total cpu time spent up to now is 49.5 secs Computing kpt #: 312 total cpu time spent up to now is 49.6 secs Computing kpt #: 313 total cpu time spent up to now is 49.8 secs Computing kpt #: 314 total cpu time spent up to now is 49.9 secs Computing kpt #: 315 total cpu time spent up to now is 50.0 secs Computing kpt #: 316 total cpu time spent up to now is 50.1 secs Computing kpt #: 317 total cpu time spent up to now is 50.2 secs Computing kpt #: 318 total cpu time spent up to now is 50.4 secs Computing kpt #: 319 total cpu time spent up to now is 50.5 secs Computing kpt #: 320 total cpu time spent up to now is 50.6 secs Computing kpt #: 321 total cpu time spent up to now is 50.7 secs Computing kpt #: 322 total cpu time spent up to now is 50.9 secs Computing kpt #: 323 total cpu time spent up to now is 51.1 secs Computing kpt #: 324 total cpu time spent up to now is 51.2 secs Computing kpt #: 325 total cpu time spent up to now is 51.4 secs Computing kpt #: 326 total cpu time spent up to now is 51.6 secs Computing kpt #: 327 total cpu time spent up to now is 51.7 secs Computing kpt #: 328 total cpu time spent up to now is 51.9 secs Computing kpt #: 329 total cpu time spent up to now is 52.1 secs Computing kpt #: 330 total cpu time spent up to now is 52.2 secs Computing kpt #: 331 total cpu time spent up to now is 52.3 secs Computing kpt #: 332 total cpu time spent up to now is 52.5 secs Computing kpt #: 333 total cpu time spent up to now is 52.6 secs Computing kpt #: 334 total cpu time spent up to now is 52.8 secs Computing kpt #: 335 total cpu time spent up to now is 52.9 secs Computing kpt #: 336 total cpu time spent up to now is 53.1 secs Computing kpt #: 337 total cpu time spent up to now is 53.2 secs Computing kpt #: 338 total cpu time spent up to now is 53.4 secs Computing kpt #: 339 total cpu time spent up to now is 53.5 secs Computing kpt #: 340 total cpu time spent up to now is 53.6 secs Computing kpt #: 341 total cpu time spent up to now is 53.8 secs Computing kpt #: 342 total cpu time spent up to now is 53.9 secs Computing kpt #: 343 total cpu time spent up to now is 54.1 secs Computing kpt #: 344 total cpu time spent up to now is 54.2 secs Computing kpt #: 345 total cpu time spent up to now is 54.4 secs Computing kpt #: 346 total cpu time spent up to now is 54.5 secs Computing kpt #: 347 total cpu time spent up to now is 54.7 secs Computing kpt #: 348 total cpu time spent up to now is 54.8 secs Computing kpt #: 349 total cpu time spent up to now is 55.0 secs Computing kpt #: 350 total cpu time spent up to now is 55.2 secs Computing kpt #: 351 total cpu time spent up to now is 55.4 secs Computing kpt #: 352 total cpu time spent up to now is 55.5 secs Computing kpt #: 353 total cpu time spent up to now is 55.7 secs Computing kpt #: 354 total cpu time spent up to now is 55.8 secs Computing kpt #: 355 total cpu time spent up to now is 56.0 secs Computing kpt #: 356 total cpu time spent up to now is 56.1 secs Computing kpt #: 357 total cpu time spent up to now is 56.3 secs Computing kpt #: 358 total cpu time spent up to now is 56.4 secs Computing kpt #: 359 total cpu time spent up to now is 56.5 secs Computing kpt #: 360 total cpu time spent up to now is 56.7 secs Computing kpt #: 361 total cpu time spent up to now is 56.8 secs Computing kpt #: 362 total cpu time spent up to now is 56.9 secs Computing kpt #: 363 total cpu time spent up to now is 57.1 secs Computing kpt #: 364 total cpu time spent up to now is 57.2 secs Computing kpt #: 365 total cpu time spent up to now is 57.3 secs Computing kpt #: 366 total cpu time spent up to now is 57.5 secs Computing kpt #: 367 total cpu time spent up to now is 57.6 secs Computing kpt #: 368 total cpu time spent up to now is 57.7 secs Computing kpt #: 369 total cpu time spent up to now is 57.8 secs Computing kpt #: 370 total cpu time spent up to now is 58.0 secs Computing kpt #: 371 total cpu time spent up to now is 58.1 secs Computing kpt #: 372 total cpu time spent up to now is 58.2 secs Computing kpt #: 373 total cpu time spent up to now is 58.3 secs Computing kpt #: 374 total cpu time spent up to now is 58.5 secs Computing kpt #: 375 total cpu time spent up to now is 58.6 secs Computing kpt #: 376 total cpu time spent up to now is 58.7 secs Computing kpt #: 377 total cpu time spent up to now is 58.8 secs Computing kpt #: 378 total cpu time spent up to now is 59.0 secs Computing kpt #: 379 total cpu time spent up to now is 59.1 secs Computing kpt #: 380 total cpu time spent up to now is 59.2 secs Computing kpt #: 381 total cpu time spent up to now is 59.3 secs Computing kpt #: 382 total cpu time spent up to now is 59.5 secs Computing kpt #: 383 total cpu time spent up to now is 59.6 secs Computing kpt #: 384 total cpu time spent up to now is 59.7 secs Computing kpt #: 385 total cpu time spent up to now is 59.9 secs Computing kpt #: 386 total cpu time spent up to now is 60.0 secs Computing kpt #: 387 total cpu time spent up to now is 60.1 secs Computing kpt #: 388 total cpu time spent up to now is 60.3 secs Computing kpt #: 389 total cpu time spent up to now is 60.4 secs Computing kpt #: 390 total cpu time spent up to now is 60.6 secs Computing kpt #: 391 total cpu time spent up to now is 60.7 secs Computing kpt #: 392 total cpu time spent up to now is 60.9 secs Computing kpt #: 393 total cpu time spent up to now is 61.0 secs Computing kpt #: 394 total cpu time spent up to now is 61.1 secs Computing kpt #: 395 total cpu time spent up to now is 61.3 secs Computing kpt #: 396 total cpu time spent up to now is 61.4 secs Computing kpt #: 397 total cpu time spent up to now is 61.6 secs Computing kpt #: 398 total cpu time spent up to now is 61.7 secs Computing kpt #: 399 total cpu time spent up to now is 61.9 secs Computing kpt #: 400 total cpu time spent up to now is 62.0 secs Computing kpt #: 401 total cpu time spent up to now is 62.2 secs Computing kpt #: 402 total cpu time spent up to now is 62.4 secs Computing kpt #: 403 total cpu time spent up to now is 62.5 secs Computing kpt #: 404 total cpu time spent up to now is 62.7 secs Computing kpt #: 405 total cpu time spent up to now is 62.8 secs Computing kpt #: 406 total cpu time spent up to now is 63.0 secs Computing kpt #: 407 total cpu time spent up to now is 63.2 secs Computing kpt #: 408 total cpu time spent up to now is 63.3 secs Computing kpt #: 409 total cpu time spent up to now is 63.5 secs Computing kpt #: 410 total cpu time spent up to now is 63.7 secs Computing kpt #: 411 total cpu time spent up to now is 63.8 secs Computing kpt #: 412 total cpu time spent up to now is 64.0 secs Computing kpt #: 413 total cpu time spent up to now is 64.2 secs Computing kpt #: 414 total cpu time spent up to now is 64.3 secs Computing kpt #: 415 total cpu time spent up to now is 64.5 secs Computing kpt #: 416 total cpu time spent up to now is 64.7 secs Computing kpt #: 417 total cpu time spent up to now is 64.8 secs Computing kpt #: 418 total cpu time spent up to now is 65.0 secs Computing kpt #: 419 total cpu time spent up to now is 65.2 secs Computing kpt #: 420 total cpu time spent up to now is 65.3 secs Computing kpt #: 421 total cpu time spent up to now is 65.5 secs Computing kpt #: 422 total cpu time spent up to now is 65.7 secs Computing kpt #: 423 total cpu time spent up to now is 65.8 secs ethr = 5.00E-08, avg # of iterations = 13.7 total cpu time spent up to now is 65.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3287 PWs) bands (ev): -87.8310 -87.8310 -87.8154 -87.8154 -50.4298 -50.4298 -24.6976 -24.6976 -17.0305 -17.0305 -16.8201 -16.8201 2.6618 2.6618 9.5708 9.5708 9.7234 9.7234 10.2689 10.2689 14.3858 14.3858 15.1715 15.1715 15.4184 15.4184 15.9700 15.9700 k = 0.0104 0.0060-0.0000 ( 3281 PWs) bands (ev): -87.8310 -87.8310 -87.8154 -87.8154 -50.4298 -50.4298 -24.6976 -24.6976 -17.0306 -17.0306 -16.8201 -16.8201 2.6635 2.6635 9.5697 9.5697 9.7225 9.7225 10.2690 10.2690 14.3741 14.3741 15.1784 15.1784 15.4243 15.4243 15.9652 15.9652 k = 0.0208 0.0120-0.0000 ( 3279 PWs) bands (ev): -87.8310 -87.8310 -87.8154 -87.8154 -50.4298 -50.4298 -24.6977 -24.6977 -17.0309 -17.0309 -16.8202 -16.8202 2.6684 2.6684 9.5662 9.5662 9.7200 9.7200 10.2691 10.2691 14.3408 14.3408 15.1959 15.1959 15.4433 15.4433 15.9510 15.9511 k = 0.0312 0.0180-0.0000 ( 3283 PWs) bands (ev): -87.8310 -87.8310 -87.8154 -87.8154 -50.4298 -50.4298 -24.6978 -24.6978 -17.0314 -17.0314 -16.8203 -16.8203 2.6767 2.6767 9.5593 9.5593 9.7170 9.7170 10.2693 10.2693 14.2908 14.2908 15.2161 15.2161 15.4781 15.4781 15.9280 15.9280 k = 0.0417 0.0241-0.0000 ( 3285 PWs) bands (ev): -87.8309 -87.8309 -87.8155 -87.8155 -50.4298 -50.4298 -24.6980 -24.6980 -17.0322 -17.0322 -16.8205 -16.8205 2.6884 2.6884 9.5477 9.5477 9.7148 9.7148 10.2696 10.2696 14.2289 14.2289 15.2322 15.2322 15.5297 15.5297 15.8974 15.8974 k = 0.0521 0.0301-0.0000 ( 3281 PWs) bands (ev): -87.8309 -87.8309 -87.8155 -87.8155 -50.4297 -50.4297 -24.6982 -24.6982 -17.0331 -17.0331 -16.8207 -16.8207 2.7033 2.7033 9.5303 9.5303 9.7148 9.7148 10.2700 10.2700 14.1594 14.1594 15.2420 15.2420 15.5939 15.5939 15.8621 15.8621 k = 0.0625 0.0361-0.0000 ( 3277 PWs) bands (ev): -87.8309 -87.8309 -87.8155 -87.8155 -50.4297 -50.4297 -24.6985 -24.6985 -17.0342 -17.0342 -16.8209 -16.8209 2.7214 2.7214 9.5061 9.5061 9.7180 9.7180 10.2705 10.2705 14.0851 14.0851 15.2460 15.2460 15.6573 15.6573 15.8325 15.8325 k = 0.0729 0.0421-0.0000 ( 3281 PWs) bands (ev): -87.8308 -87.8308 -87.8156 -87.8156 -50.4297 -50.4297 -24.6988 -24.6988 -17.0355 -17.0355 -16.8212 -16.8212 2.7429 2.7429 9.4752 9.4752 9.7246 9.7246 10.2709 10.2709 14.0082 14.0082 15.2457 15.2457 15.6797 15.6797 15.8462 15.8462 k = 0.0833 0.0481-0.0000 ( 3285 PWs) bands (ev): -87.8308 -87.8308 -87.8156 -87.8156 -50.4296 -50.4296 -24.6991 -24.6991 -17.0370 -17.0370 -16.8215 -16.8215 2.7675 2.7675 9.4378 9.4378 9.7346 9.7346 10.2714 10.2714 13.9299 13.9299 15.2422 15.2422 15.6435 15.6435 15.9186 15.9186 k = 0.0938 0.0541-0.0000 ( 3289 PWs) bands (ev): -87.8307 -87.8307 -87.8157 -87.8157 -50.4296 -50.4296 -24.6995 -24.6995 -17.0387 -17.0387 -16.8218 -16.8218 2.7954 2.7954 9.3946 9.3946 9.7477 9.7477 10.2718 10.2718 13.8513 13.8513 15.2362 15.2362 15.5845 15.5845 16.0089 16.0089 k = 0.1042 0.0601-0.0000 ( 3293 PWs) bands (ev): -87.8306 -87.8306 -87.8158 -87.8158 -50.4295 -50.4295 -24.7000 -24.7000 -17.0406 -17.0406 -16.8222 -16.8222 2.8264 2.8264 9.3462 9.3462 9.7634 9.7634 10.2721 10.2721 13.7730 13.7730 15.2281 15.2281 15.5168 15.5168 16.0149 16.0149 k = 0.1146 0.0662-0.0000 ( 3293 PWs) bands (ev): -87.8306 -87.8306 -87.8158 -87.8158 -50.4294 -50.4294 -24.7004 -24.7004 -17.0426 -17.0426 -16.8226 -16.8226 2.8606 2.8606 9.2931 9.2931 9.7815 9.7815 10.2720 10.2720 13.6954 13.6954 15.2177 15.2177 15.4451 15.4451 15.9485 15.9485 k = 0.1250 0.0722-0.0000 ( 3294 PWs) bands (ev): -87.8305 -87.8305 -87.8159 -87.8159 -50.4294 -50.4294 -24.7009 -24.7009 -17.0448 -17.0448 -16.8230 -16.8230 2.8978 2.8978 9.2357 9.2357 9.8018 9.8018 10.2716 10.2716 13.6190 13.6190 15.2045 15.2045 15.3720 15.3720 15.8783 15.8783 k = 0.1354 0.0782-0.0000 ( 3288 PWs) bands (ev): -87.8304 -87.8304 -87.8160 -87.8160 -50.4293 -50.4293 -24.7015 -24.7015 -17.0472 -17.0472 -16.8235 -16.8235 2.9381 2.9381 9.1746 9.1746 9.8241 9.8241 10.2706 10.2706 13.5439 13.5439 15.1862 15.1862 15.3012 15.3012 15.8076 15.8076 k = 0.1458 0.0842-0.0000 ( 3282 PWs) bands (ev): -87.8303 -87.8303 -87.8161 -87.8161 -50.4292 -50.4292 -24.7020 -24.7020 -17.0496 -17.0496 -16.8239 -16.8239 2.9814 2.9814 9.1102 9.1102 9.8482 9.8482 10.2690 10.2690 13.4704 13.4704 15.1553 15.1553 15.2415 15.2415 15.7373 15.7373 k = 0.1562 0.0902-0.0000 ( 3278 PWs) bands (ev): -87.8302 -87.8302 -87.8162 -87.8162 -50.4291 -50.4291 -24.7026 -24.7026 -17.0522 -17.0522 -16.8244 -16.8244 3.0276 3.0276 9.0427 9.0427 9.8739 9.8739 10.2666 10.2666 13.3986 13.3986 15.1019 15.1019 15.2037 15.2037 15.6680 15.6680 k = 0.1667 0.0962-0.0000 ( 3278 PWs) bands (ev): -87.8301 -87.8301 -87.8163 -87.8163 -50.4290 -50.4290 -24.7033 -24.7033 -17.0550 -17.0550 -16.8249 -16.8249 3.0767 3.0767 8.9726 8.9726 9.9013 9.9013 10.2633 10.2633 13.3286 13.3286 15.0343 15.0343 15.1800 15.1800 15.6002 15.6002 k = 0.1771 0.1022-0.0000 ( 3280 PWs) bands (ev): -87.8300 -87.8300 -87.8164 -87.8164 -50.4289 -50.4289 -24.7039 -24.7039 -17.0578 -17.0578 -16.8254 -16.8254 3.1287 3.1287 8.9001 8.9001 9.9300 9.9300 10.2589 10.2589 13.2605 13.2605 14.9633 14.9633 15.1606 15.1606 15.5341 15.5341 k = 0.1875 0.1083-0.0000 ( 3278 PWs) bands (ev): -87.8298 -87.8298 -87.8166 -87.8166 -50.4288 -50.4288 -24.7046 -24.7046 -17.0608 -17.0608 -16.8260 -16.8260 3.1834 3.1834 8.8254 8.8254 9.9600 9.9600 10.2533 10.2533 13.1944 13.1944 14.8929 14.8929 15.1418 15.1418 15.4703 15.4703 k = 0.1979 0.1143-0.0000 ( 3272 PWs) bands (ev): -87.8297 -87.8297 -87.8167 -87.8167 -50.4287 -50.4287 -24.7053 -24.7053 -17.0638 -17.0638 -16.8265 -16.8265 3.2408 3.2408 8.7489 8.7489 9.9911 9.9911 10.2464 10.2464 13.1303 13.1303 14.8247 14.8247 15.1224 15.1224 15.4093 15.4093 k = 0.2083 0.1203-0.0000 ( 3270 PWs) bands (ev): -87.8296 -87.8296 -87.8168 -87.8168 -50.4286 -50.4286 -24.7060 -24.7060 -17.0669 -17.0669 -16.8270 -16.8270 3.3008 3.3008 8.6706 8.6706 10.0232 10.0232 10.2380 10.2380 13.0683 13.0683 14.7596 14.7596 15.1013 15.1013 15.3516 15.3516 k = 0.2188 0.1263-0.0000 ( 3272 PWs) bands (ev): -87.8294 -87.8294 -87.8169 -87.8169 -50.4285 -50.4285 -24.7067 -24.7067 -17.0700 -17.0700 -16.8276 -16.8276 3.3633 3.3633 8.5909 8.5909 10.0562 10.0562 10.2282 10.2282 13.0085 13.0085 14.6983 14.6983 15.0778 15.0778 15.2982 15.2982 k = 0.2292 0.1323-0.0000 ( 3276 PWs) bands (ev): -87.8293 -87.8293 -87.8171 -87.8171 -50.4284 -50.4284 -24.7075 -24.7075 -17.0733 -17.0733 -16.8281 -16.8281 3.4283 3.4283 8.5097 8.5097 10.0897 10.0897 10.2171 10.2171 12.9508 12.9508 14.6412 14.6412 15.0511 15.0511 15.2500 15.2500 k = 0.2396 0.1383-0.0000 ( 3272 PWs) bands (ev): -87.8292 -87.8292 -87.8172 -87.8172 -50.4283 -50.4283 -24.7082 -24.7082 -17.0765 -17.0765 -16.8286 -16.8286 3.4957 3.4957 8.4274 8.4274 10.1232 10.1232 10.2048 10.2048 12.8952 12.8952 14.5886 14.5886 15.0204 15.0204 15.2078 15.2078 k = 0.2500 0.1443-0.0000 ( 3270 PWs) bands (ev): -87.8290 -87.8290 -87.8174 -87.8174 -50.4282 -50.4282 -24.7089 -24.7089 -17.0797 -17.0797 -16.8292 -16.8292 3.5653 3.5653 8.3440 8.3440 10.1540 10.1540 10.1941 10.1941 12.8419 12.8419 14.5408 14.5408 14.9855 14.9855 15.1719 15.1719 k = 0.2604 0.1504-0.0000 ( 3268 PWs) bands (ev): -87.8289 -87.8289 -87.8175 -87.8175 -50.4281 -50.4281 -24.7097 -24.7097 -17.0830 -17.0830 -16.8297 -16.8297 3.6371 3.6371 8.2596 8.2596 10.1629 10.1629 10.2041 10.2041 12.7908 12.7908 14.4978 14.4978 14.9471 14.9471 15.1418 15.1418 k = 0.2708 0.1564-0.0000 ( 3268 PWs) bands (ev): -87.8287 -87.8287 -87.8177 -87.8177 -50.4280 -50.4280 -24.7104 -24.7104 -17.0862 -17.0862 -16.8302 -16.8302 3.7109 3.7109 8.1744 8.1744 10.1489 10.1489 10.2356 10.2356 12.7419 12.7419 14.4599 14.4599 14.9063 14.9063 15.1164 15.1164 k = 0.2812 0.1624-0.0000 ( 3264 PWs) bands (ev): -87.8285 -87.8285 -87.8179 -87.8179 -50.4278 -50.4278 -24.7111 -24.7111 -17.0895 -17.0895 -16.8307 -16.8307 3.7867 3.7867 8.0884 8.0884 10.1302 10.1302 10.2702 10.2702 12.6952 12.6952 14.4269 14.4269 14.8645 14.8645 15.0946 15.0946 k = 0.2917 0.1684-0.0000 ( 3262 PWs) bands (ev): -87.8284 -87.8284 -87.8180 -87.8180 -50.4277 -50.4277 -24.7118 -24.7118 -17.0926 -17.0926 -16.8312 -16.8312 3.8643 3.8643 8.0017 8.0017 10.1096 10.1096 10.3054 10.3054 12.6507 12.6507 14.3988 14.3988 14.8227 14.8227 15.0755 15.0755 k = 0.3021 0.1744-0.0000 ( 3266 PWs) bands (ev): -87.8282 -87.8282 -87.8182 -87.8182 -50.4276 -50.4276 -24.7126 -24.7126 -17.0958 -17.0958 -16.8317 -16.8317 3.9435 3.9435 7.9143 7.9143 10.0876 10.0876 10.3405 10.3405 12.6084 12.6084 14.3755 14.3755 14.7817 14.7817 15.0584 15.0584 k = 0.3125 0.1804-0.0000 ( 3266 PWs) bands (ev): -87.8280 -87.8280 -87.8184 -87.8184 -50.4275 -50.4275 -24.7133 -24.7133 -17.0988 -17.0988 -16.8321 -16.8321 4.0243 4.0243 7.8265 7.8265 10.0644 10.0644 10.3753 10.3753 12.5684 12.5684 14.3566 14.3566 14.7422 14.7422 15.0427 15.0427 k = 0.3229 0.1864-0.0000 ( 3260 PWs) bands (ev): -87.8279 -87.8279 -87.8185 -87.8185 -50.4274 -50.4274 -24.7139 -24.7139 -17.1018 -17.1018 -16.8326 -16.8326 4.1064 4.1064 7.7383 7.7383 10.0405 10.0405 10.4096 10.4096 12.5306 12.5306 14.3418 14.3418 14.7045 14.7045 15.0284 15.0284 k = 0.3333 0.1925-0.0000 ( 3260 PWs) bands (ev): -87.8277 -87.8277 -87.8187 -87.8187 -50.4273 -50.4273 -24.7146 -24.7146 -17.1047 -17.1047 -16.8330 -16.8330 4.1897 4.1897 7.6498 7.6498 10.0159 10.0159 10.4431 10.4431 12.4950 12.4950 14.3308 14.3308 14.6690 14.6690 15.0152 15.0152 k = 0.3438 0.1985-0.0000 ( 3266 PWs) bands (ev): -87.8275 -87.8275 -87.8189 -87.8189 -50.4273 -50.4273 -24.7152 -24.7152 -17.1075 -17.1075 -16.8334 -16.8334 4.2739 4.2739 7.5611 7.5611 9.9911 9.9911 10.4758 10.4758 12.4615 12.4615 14.3229 14.3229 14.6362 14.6362 15.0030 15.0030 k = 0.3542 0.2045-0.0000 ( 3272 PWs) bands (ev): -87.8274 -87.8274 -87.8190 -87.8190 -50.4272 -50.4272 -24.7158 -24.7158 -17.1101 -17.1101 -16.8338 -16.8338 4.3588 4.3588 7.4724 7.4724 9.9663 9.9663 10.5073 10.5073 12.4303 12.4303 14.3177 14.3177 14.6062 14.6062 14.9918 14.9918 k = 0.3646 0.2105-0.0000 ( 3272 PWs) bands (ev): -87.8272 -87.8272 -87.8192 -87.8192 -50.4271 -50.4271 -24.7164 -24.7164 -17.1127 -17.1127 -16.8341 -16.8341 4.4441 4.4441 7.3839 7.3839 9.9417 9.9417 10.5375 10.5375 12.4013 12.4013 14.3145 14.3145 14.5795 14.5795 14.9814 14.9814 k = 0.3750 0.2165-0.0000 ( 3274 PWs) bands (ev): -87.8270 -87.8270 -87.8194 -87.8194 -50.4270 -50.4270 -24.7170 -24.7170 -17.1150 -17.1150 -16.8345 -16.8345 4.5296 4.5296 7.2959 7.2959 9.9177 9.9177 10.5663 10.5663 12.3744 12.3744 14.3124 14.3124 14.5564 14.5564 14.9720 14.9720 k = 0.3854 0.2225-0.0000 ( 3274 PWs) bands (ev): -87.8269 -87.8269 -87.8195 -87.8195 -50.4269 -50.4269 -24.7175 -24.7175 -17.1173 -17.1173 -16.8348 -16.8348 4.6148 4.6148 7.2087 7.2087 9.8946 9.8946 10.5935 10.5935 12.3498 12.3498 14.3107 14.3107 14.5373 14.5373 14.9634 14.9634 k = 0.3958 0.2285-0.0000 ( 3278 PWs) bands (ev): -87.8267 -87.8267 -87.8197 -87.8197 -50.4269 -50.4269 -24.7179 -24.7179 -17.1194 -17.1194 -16.8351 -16.8351 4.6992 4.6992 7.1226 7.1226 9.8724 9.8724 10.6190 10.6190 12.3273 12.3273 14.3086 14.3086 14.5224 14.5224 14.9558 14.9558 k = 0.4062 0.2345-0.0000 ( 3278 PWs) bands (ev): -87.8266 -87.8266 -87.8198 -87.8198 -50.4268 -50.4268 -24.7184 -24.7184 -17.1213 -17.1213 -16.8353 -16.8353 4.7823 4.7823 7.0382 7.0382 9.8517 9.8517 10.6425 10.6425 12.3069 12.3069 14.3057 14.3057 14.5119 14.5119 14.9490 14.9490 k = 0.4167 0.2406-0.0000 ( 3270 PWs) bands (ev): -87.8264 -87.8264 -87.8200 -87.8200 -50.4268 -50.4268 -24.7188 -24.7188 -17.1230 -17.1230 -16.8356 -16.8356 4.8634 4.8634 6.9561 6.9561 9.8324 9.8324 10.6640 10.6640 12.2887 12.2887 14.3016 14.3016 14.5054 14.5054 14.9430 14.9430 k = 0.4271 0.2466-0.0000 ( 3274 PWs) bands (ev): -87.8263 -87.8263 -87.8201 -87.8201 -50.4267 -50.4267 -24.7191 -24.7191 -17.1245 -17.1245 -16.8358 -16.8358 4.9415 4.9415 6.8772 6.8772 9.8150 9.8150 10.6833 10.6833 12.2727 12.2727 14.2965 14.2965 14.5025 14.5025 14.9379 14.9379 k = 0.4375 0.2526-0.0000 ( 3278 PWs) bands (ev): -87.8262 -87.8262 -87.8202 -87.8202 -50.4267 -50.4267 -24.7194 -24.7194 -17.1259 -17.1259 -16.8360 -16.8360 5.0154 5.0154 6.8027 6.8027 9.7994 9.7994 10.7003 10.7003 12.2588 12.2588 14.2909 14.2909 14.5022 14.5022 14.9336 14.9336 k = 0.4479 0.2586-0.0000 ( 3284 PWs) bands (ev): -87.8261 -87.8261 -87.8203 -87.8203 -50.4266 -50.4266 -24.7197 -24.7197 -17.1271 -17.1271 -16.8361 -16.8361 5.0838 5.0838 6.7339 6.7339 9.7860 9.7860 10.7149 10.7149 12.2471 12.2471 14.2851 14.2851 14.5037 14.5037 14.9301 14.9301 k = 0.4583 0.2646-0.0000 ( 3280 PWs) bands (ev): -87.8260 -87.8260 -87.8204 -87.8204 -50.4266 -50.4266 -24.7199 -24.7199 -17.1280 -17.1280 -16.8362 -16.8362 5.1447 5.1447 6.6726 6.6726 9.7748 9.7748 10.7269 10.7269 12.2375 12.2375 14.2797 14.2797 14.5061 14.5061 14.9273 14.9273 k = 0.4688 0.2706-0.0000 ( 3276 PWs) bands (ev): -87.8259 -87.8259 -87.8205 -87.8205 -50.4266 -50.4266 -24.7201 -24.7201 -17.1287 -17.1287 -16.8363 -16.8363 5.1960 5.1960 6.6211 6.6211 9.7660 9.7660 10.7364 10.7364 12.2300 12.2300 14.2751 14.2751 14.5086 14.5086 14.9252 14.9252 k = 0.4792 0.2766-0.0000 ( 3272 PWs) bands (ev): -87.8258 -87.8258 -87.8206 -87.8206 -50.4265 -50.4265 -24.7202 -24.7202 -17.1293 -17.1293 -16.8364 -16.8364 5.2352 5.2352 6.5818 6.5818 9.7597 9.7597 10.7432 10.7432 12.2247 12.2247 14.2716 14.2716 14.5109 14.5109 14.9238 14.9238 k = 0.4896 0.2827-0.0000 ( 3272 PWs) bands (ev): -87.8258 -87.8258 -87.8206 -87.8206 -50.4265 -50.4265 -24.7203 -24.7203 -17.1296 -17.1296 -16.8364 -16.8364 5.2600 5.2600 6.5570 6.5570 9.7559 9.7559 10.7473 10.7473 12.2215 12.2215 14.2695 14.2695 14.5124 14.5124 14.9229 14.9229 k = 0.5000 0.2887-0.0000 ( 3264 PWs) bands (ev): -87.8258 -87.8258 -87.8206 -87.8206 -50.4265 -50.4265 -24.7203 -24.7203 -17.1297 -17.1297 -16.8365 -16.8365 5.2684 5.2684 6.5485 6.5485 9.7546 9.7546 10.7486 10.7486 12.2204 12.2204 14.2687 14.2687 14.5129 14.5129 14.9226 14.9226 k = 0.5000 0.2887-0.0000 ( 3264 PWs) bands (ev): -87.8258 -87.8258 -87.8206 -87.8206 -50.4265 -50.4265 -24.7203 -24.7203 -17.1297 -17.1297 -16.8365 -16.8365 5.2684 5.2684 6.5485 6.5485 9.7546 9.7546 10.7486 10.7486 12.2204 12.2204 14.2687 14.2687 14.5129 14.5129 14.9226 14.9226 k = 0.4940 0.2990-0.0000 ( 3276 PWs) bands (ev): -87.8258 -87.8258 -87.8206 -87.8206 -50.4265 -50.4265 -24.7203 -24.7203 -17.1297 -17.1297 -16.8365 -16.8365 5.2704 5.2704 6.5489 6.5489 9.7404 9.7404 10.7618 10.7618 12.2215 12.2215 14.2674 14.2674 14.5116 14.5116 14.9168 14.9168 k = 0.4881 0.3093-0.0000 ( 3276 PWs) bands (ev): -87.8258 -87.8258 -87.8206 -87.8206 -50.4265 -50.4265 -24.7203 -24.7203 -17.1298 -17.1298 -16.8365 -16.8365 5.2762 5.2762 6.5502 6.5502 9.7001 9.7001 10.7990 10.7990 12.2248 12.2248 14.2636 14.2636 14.5079 14.5079 14.8996 14.8996 k = 0.4821 0.3196-0.0000 ( 3272 PWs) bands (ev): -87.8258 -87.8258 -87.8206 -87.8206 -50.4265 -50.4265 -24.7204 -24.7204 -17.1299 -17.1299 -16.8366 -16.8366 5.2859 5.2859 6.5523 6.5523 9.6384 9.6384 10.8556 10.8556 12.2303 12.2303 14.2573 14.2573 14.5015 14.5015 14.8718 14.8718 k = 0.4762 0.3299-0.0000 ( 3284 PWs) bands (ev): -87.8257 -87.8257 -87.8207 -87.8207 -50.4265 -50.4265 -24.7204 -24.7204 -17.1300 -17.1300 -16.8368 -16.8368 5.2995 5.2995 6.5552 6.5552 9.5607 9.5607 10.9262 10.9262 12.2380 12.2380 14.2484 14.2484 14.4922 14.4922 14.8346 14.8346 k = 0.4702 0.3402-0.0000 ( 3286 PWs) bands (ev): -87.8257 -87.8257 -87.8207 -87.8207 -50.4265 -50.4265 -24.7205 -24.7205 -17.1302 -17.1302 -16.8370 -16.8370 5.3169 5.3169 6.5590 6.5590 9.4716 9.4716 11.0062 11.0062 12.2479 12.2479 14.2371 14.2371 14.4797 14.4797 14.7894 14.7894 k = 0.4643 0.3505-0.0000 ( 3288 PWs) bands (ev): -87.8257 -87.8257 -87.8207 -87.8207 -50.4265 -50.4265 -24.7206 -24.7206 -17.1305 -17.1305 -16.8372 -16.8372 5.3381 5.3381 6.5637 6.5637 9.3742 9.3742 11.0925 11.0925 12.2599 12.2599 14.2234 14.2234 14.4635 14.4635 14.7384 14.7384 k = 0.4583 0.3608-0.0000 ( 3280 PWs) bands (ev): -87.8256 -87.8256 -87.8208 -87.8208 -50.4265 -50.4265 -24.7207 -24.7207 -17.1307 -17.1307 -16.8374 -16.8374 5.3631 5.3631 6.5692 6.5692 9.2708 9.2708 11.1828 11.1828 12.2742 12.2742 14.2074 14.2074 14.4426 14.4426 14.6836 14.6836 k = 0.4524 0.3712-0.0000 ( 3280 PWs) bands (ev): -87.8256 -87.8256 -87.8208 -87.8208 -50.4265 -50.4265 -24.7208 -24.7208 -17.1310 -17.1310 -16.8377 -16.8377 5.3918 5.3918 6.5756 6.5756 9.1630 9.1630 11.2756 11.2756 12.2906 12.2906 14.1890 14.1890 14.4155 14.4155 14.6280 14.6280 k = 0.4464 0.3815-0.0000 ( 3282 PWs) bands (ev): -87.8255 -87.8255 -87.8209 -87.8209 -50.4265 -50.4265 -24.7209 -24.7209 -17.1314 -17.1314 -16.8380 -16.8380 5.4242 5.4242 6.5828 6.5828 9.0520 9.0520 11.3697 11.3697 12.3092 12.3092 14.1681 14.1681 14.3806 14.3806 14.5746 14.5746 k = 0.4405 0.3918-0.0000 ( 3278 PWs) bands (ev): -87.8254 -87.8254 -87.8210 -87.8210 -50.4264 -50.4264 -24.7210 -24.7210 -17.1317 -17.1317 -16.8383 -16.8383 5.4603 5.4603 6.5909 6.5909 8.9384 8.9384 11.4645 11.4645 12.3300 12.3300 14.1445 14.1445 14.3366 14.3366 14.5261 14.5261 k = 0.4345 0.4021-0.0000 ( 3278 PWs) bands (ev): -87.8254 -87.8254 -87.8210 -87.8210 -50.4264 -50.4264 -24.7211 -24.7211 -17.1321 -17.1321 -16.8386 -16.8386 5.4999 5.4999 6.5999 6.5999 8.8230 8.8230 11.5592 11.5592 12.3530 12.3530 14.1174 14.1174 14.2846 14.2846 14.4832 14.4832 k = 0.4286 0.4124-0.0000 ( 3278 PWs) bands (ev): -87.8253 -87.8253 -87.8211 -87.8211 -50.4264 -50.4264 -24.7213 -24.7213 -17.1325 -17.1325 -16.8390 -16.8390 5.5431 5.5431 6.6098 6.6098 8.7061 8.7061 11.6534 11.6534 12.3782 12.3782 14.0853 14.0853 14.2283 14.2283 14.4448 14.4448 k = 0.4226 0.4227-0.0000 ( 3272 PWs) bands (ev): -87.8252 -87.8252 -87.8212 -87.8212 -50.4264 -50.4264 -24.7214 -24.7214 -17.1329 -17.1329 -16.8393 -16.8393 5.5896 5.5896 6.6206 6.6206 8.5881 8.5881 11.7467 11.7467 12.4057 12.4057 14.0453 14.0453 14.1735 14.1735 14.4089 14.4089 k = 0.4167 0.4330-0.0000 ( 3274 PWs) bands (ev): -87.8251 -87.8251 -87.8213 -87.8213 -50.4263 -50.4263 -24.7216 -24.7216 -17.1334 -17.1334 -16.8397 -16.8397 5.6396 5.6396 6.6323 6.6323 8.4693 8.4693 11.8387 11.8387 12.4354 12.4354 13.9945 13.9945 14.1254 14.1254 14.3739 14.3739 k = 0.4107 0.4433-0.0000 ( 3266 PWs) bands (ev): -87.8250 -87.8250 -87.8214 -87.8214 -50.4263 -50.4263 -24.7217 -24.7217 -17.1339 -17.1339 -16.8400 -16.8400 5.6927 5.6927 6.6448 6.6448 8.3501 8.3501 11.9289 11.9289 12.4674 12.4674 13.9334 13.9334 14.0856 14.0856 14.3390 14.3390 k = 0.4048 0.4536-0.0000 ( 3270 PWs) bands (ev): -87.8249 -87.8249 -87.8215 -87.8215 -50.4263 -50.4263 -24.7219 -24.7219 -17.1343 -17.1343 -16.8404 -16.8404 5.7491 5.7491 6.6582 6.6582 8.2305 8.2305 12.0170 12.0170 12.5019 12.5019 13.8655 13.8655 14.0515 14.0515 14.3035 14.3035 k = 0.3988 0.4639-0.0000 ( 3274 PWs) bands (ev): -87.8248 -87.8248 -87.8216 -87.8216 -50.4263 -50.4263 -24.7220 -24.7220 -17.1348 -17.1348 -16.8407 -16.8407 5.8084 5.8084 6.6725 6.6725 8.1110 8.1110 12.1025 12.1025 12.5388 12.5388 13.7944 13.7944 14.0206 14.0206 14.2676 14.2676 k = 0.3929 0.4743-0.0000 ( 3274 PWs) bands (ev): -87.8247 -87.8247 -87.8217 -87.8217 -50.4263 -50.4263 -24.7222 -24.7222 -17.1353 -17.1353 -16.8410 -16.8410 5.8706 5.8706 6.6876 6.6876 7.9917 7.9917 12.1846 12.1846 12.5784 12.5784 13.7222 13.7222 13.9916 13.9916 14.2313 14.2313 k = 0.3869 0.4846-0.0000 ( 3274 PWs) bands (ev): -87.8245 -87.8245 -87.8219 -87.8219 -50.4262 -50.4262 -24.7223 -24.7223 -17.1357 -17.1357 -16.8413 -16.8413 5.9356 5.9356 6.7033 6.7033 7.8730 7.8730 12.2627 12.2627 12.6208 12.6208 13.6502 13.6502 13.9635 13.9635 14.1951 14.1951 k = 0.3810 0.4949-0.0000 ( 3276 PWs) bands (ev): -87.8244 -87.8244 -87.8220 -87.8220 -50.4262 -50.4262 -24.7225 -24.7225 -17.1362 -17.1362 -16.8416 -16.8416 6.0030 6.0030 6.7197 6.7197 7.7552 7.7552 12.3360 12.3360 12.6661 12.6661 13.5794 13.5794 13.9361 13.9361 14.1595 14.1595 k = 0.3750 0.5052-0.0000 ( 3280 PWs) bands (ev): -87.8243 -87.8243 -87.8221 -87.8221 -50.4262 -50.4262 -24.7226 -24.7226 -17.1366 -17.1366 -16.8419 -16.8419 6.0728 6.0728 6.7363 6.7363 7.6389 7.6389 12.4035 12.4035 12.7143 12.7143 13.5101 13.5101 13.9093 13.9093 14.1255 14.1255 k = 0.3690 0.5155-0.0000 ( 3280 PWs) bands (ev): -87.8241 -87.8241 -87.8223 -87.8223 -50.4262 -50.4262 -24.7227 -24.7227 -17.1370 -17.1370 -16.8421 -16.8421 6.1444 6.1444 6.7529 6.7529 7.5248 7.5248 12.4645 12.4645 12.7651 12.7651 13.4428 13.4428 13.8832 13.8832 14.0937 14.0937 k = 0.3631 0.5258-0.0000 ( 3280 PWs) bands (ev): -87.8240 -87.8240 -87.8224 -87.8224 -50.4262 -50.4262 -24.7228 -24.7228 -17.1373 -17.1373 -16.8423 -16.8423 6.2175 6.2175 6.7685 6.7685 7.4142 7.4142 12.5182 12.5182 12.8181 12.8181 13.3778 13.3778 13.8584 13.8584 14.0650 14.0650 k = 0.3571 0.5361-0.0000 ( 3276 PWs) bands (ev): -87.8238 -87.8238 -87.8226 -87.8226 -50.4262 -50.4262 -24.7229 -24.7229 -17.1376 -17.1376 -16.8425 -16.8425 6.2913 6.2913 6.7815 6.7815 7.3096 7.3096 12.5638 12.5638 12.8725 12.8725 13.3153 13.3153 13.8356 13.8356 14.0402 14.0402 k = 0.3512 0.5464-0.0000 ( 3276 PWs) bands (ev): -87.8237 -87.8237 -87.8227 -87.8227 -50.4261 -50.4261 -24.7230 -24.7230 -17.1379 -17.1379 -16.8426 -16.8426 6.3645 6.3645 6.7889 6.7889 7.2152 7.2152 12.6007 12.6007 12.9273 12.9273 13.2554 13.2554 13.8160 13.8160 14.0199 14.0199 k = 0.3452 0.5567-0.0000 ( 3272 PWs) bands (ev): -87.8235 -87.8235 -87.8229 -87.8229 -50.4261 -50.4261 -24.7230 -24.7230 -17.1381 -17.1381 -16.8427 -16.8427 6.4342 6.4342 6.7856 6.7856 7.1391 7.1391 12.6280 12.6280 12.9818 12.9818 13.1978 13.1978 13.8011 13.8011 14.0046 14.0046 k = 0.3393 0.5670-0.0000 ( 3268 PWs) bands (ev): -87.8234 -87.8234 -87.8230 -87.8230 -50.4261 -50.4261 -24.7231 -24.7231 -17.1382 -17.1382 -16.8427 -16.8427 6.4928 6.4928 6.7686 6.7686 7.0916 7.0916 12.6448 12.6448 13.0356 13.0356 13.1425 13.1425 13.7919 13.7919 13.9949 13.9949 k = 0.3333 0.5774-0.0000 ( 3258 PWs) bands (ev): -87.8232 -87.8232 -87.8232 -87.8232 -50.4261 -50.4261 -24.7230 -24.7230 -17.1382 -17.1382 -16.8427 -16.8427 6.5197 6.5197 6.7545 6.7545 7.0769 7.0769 12.6504 12.6504 13.0869 13.0869 13.0907 13.0907 13.7889 13.7889 13.9915 13.9915 k = 0.3333 0.5774-0.0000 ( 3258 PWs) bands (ev): -87.8232 -87.8232 -87.8232 -87.8232 -50.4261 -50.4261 -24.7230 -24.7230 -17.1382 -17.1382 -16.8427 -16.8427 6.5197 6.5197 6.7545 6.7545 7.0769 7.0769 12.6504 12.6504 13.0869 13.0869 13.0907 13.0907 13.7889 13.7889 13.9915 13.9915 k = 0.3274 0.5670-0.0000 ( 3262 PWs) bands (ev): -87.8234 -87.8234 -87.8230 -87.8230 -50.4261 -50.4261 -24.7230 -24.7230 -17.1382 -17.1382 -16.8427 -16.8427 6.4888 6.4888 6.7756 6.7756 7.0885 7.0885 12.6448 12.6448 13.0363 13.0363 13.1417 13.1417 13.7915 13.7915 13.9952 13.9952 k = 0.3214 0.5567-0.0000 ( 3270 PWs) bands (ev): -87.8235 -87.8235 -87.8229 -87.8229 -50.4261 -50.4261 -24.7230 -24.7230 -17.1380 -17.1380 -16.8427 -16.8427 6.4141 6.4141 6.8258 6.8258 7.1187 7.1187 12.6286 12.6286 12.9848 12.9848 13.1949 13.1949 13.7985 13.7985 14.0067 14.0067 k = 0.3155 0.5464-0.0000 ( 3274 PWs) bands (ev): -87.8237 -87.8237 -87.8227 -87.8227 -50.4261 -50.4261 -24.7230 -24.7230 -17.1378 -17.1378 -16.8426 -16.8426 6.3201 6.3201 6.8846 6.8846 7.1634 7.1634 12.6026 12.6026 12.9341 12.9341 13.2487 13.2487 13.8080 13.8080 14.0264 14.0264 k = 0.3095 0.5361-0.0000 ( 3278 PWs) bands (ev): -87.8239 -87.8239 -87.8225 -87.8225 -50.4262 -50.4262 -24.7229 -24.7229 -17.1375 -17.1375 -16.8424 -16.8424 6.2179 6.2179 6.9425 6.9425 7.2207 7.2207 12.5679 12.5679 12.8846 12.8846 13.3034 13.3034 13.8188 13.8188 14.0539 14.0539 k = 0.3036 0.5258-0.0000 ( 3282 PWs) bands (ev): -87.8241 -87.8241 -87.8223 -87.8223 -50.4262 -50.4262 -24.7228 -24.7228 -17.1370 -17.1370 -16.8423 -16.8423 6.1119 6.1119 6.9967 6.9967 7.2892 7.2892 12.5255 12.5255 12.8371 12.8371 13.3593 13.3593 13.8302 13.8302 14.0880 14.0880 k = 0.2976 0.5155-0.0000 ( 3282 PWs) bands (ev): -87.8243 -87.8243 -87.8221 -87.8221 -50.4262 -50.4262 -24.7226 -24.7226 -17.1365 -17.1365 -16.8421 -16.8421 6.0042 6.0042 7.0469 7.0469 7.3669 7.3669 12.4759 12.4759 12.7924 12.7924 13.4161 13.4161 13.8422 13.8422 14.1269 14.1269 k = 0.2917 0.5052-0.0000 ( 3286 PWs) bands (ev): -87.8245 -87.8245 -87.8219 -87.8219 -50.4262 -50.4262 -24.7224 -24.7224 -17.1358 -17.1358 -16.8418 -16.8418 5.8957 5.8957 7.0943 7.0943 7.4514 7.4514 12.4200 12.4200 12.7513 12.7513 13.4739 13.4739 13.8552 13.8552 14.1689 14.1689 k = 0.2857 0.4949-0.0000 ( 3286 PWs) bands (ev): -87.8246 -87.8246 -87.8218 -87.8218 -50.4263 -50.4263 -24.7222 -24.7222 -17.1350 -17.1350 -16.8416 -16.8416 5.7870 5.7870 7.1401 7.1401 7.5411 7.5411 12.3585 12.3585 12.7142 12.7142 13.5323 13.5323 13.8698 13.8698 14.2124 14.2124 k = 0.2798 0.4846-0.0000 ( 3286 PWs) bands (ev): -87.8248 -87.8248 -87.8216 -87.8216 -50.4263 -50.4263 -24.7220 -24.7220 -17.1340 -17.1340 -16.8413 -16.8413 5.6787 5.6787 7.1851 7.1851 7.6343 7.6343 12.2922 12.2922 12.6814 12.6814 13.5911 13.5911 13.8863 13.8863 14.2561 14.2561 k = 0.2738 0.4743-0.0000 ( 3286 PWs) bands (ev): -87.8250 -87.8250 -87.8214 -87.8214 -50.4263 -50.4263 -24.7217 -24.7217 -17.1329 -17.1329 -16.8409 -16.8409 5.5709 5.5709 7.2301 7.2301 7.7300 7.7300 12.2220 12.2220 12.6527 12.6527 13.6500 13.6500 13.9051 13.9051 14.2988 14.2988 k = 0.2679 0.4639-0.0000 ( 3282 PWs) bands (ev): -87.8252 -87.8252 -87.8212 -87.8212 -50.4264 -50.4264 -24.7214 -24.7214 -17.1317 -17.1317 -16.8406 -16.8406 5.4639 5.4639 7.2754 7.2754 7.8275 7.8275 12.1488 12.1488 12.6281 12.6281 13.7084 13.7084 13.9269 13.9269 14.3398 14.3398 k = 0.2619 0.4536-0.0000 ( 3278 PWs) bands (ev): -87.8254 -87.8254 -87.8210 -87.8210 -50.4264 -50.4264 -24.7210 -24.7210 -17.1304 -17.1304 -16.8402 -16.8402 5.3578 5.3578 7.3215 7.3215 7.9260 7.9260 12.0732 12.0732 12.6073 12.6073 13.7656 13.7656 13.9522 13.9522 14.3786 14.3786 k = 0.2560 0.4433-0.0000 ( 3278 PWs) bands (ev): -87.8256 -87.8256 -87.8208 -87.8208 -50.4265 -50.4265 -24.7207 -24.7207 -17.1289 -17.1289 -16.8398 -16.8398 5.2527 5.2527 7.3685 7.3685 8.0253 8.0253 11.9959 11.9959 12.5904 12.5904 13.8209 13.8209 13.9819 13.9819 14.4146 14.4146 k = 0.2500 0.4330-0.0000 ( 3282 PWs) bands (ev): -87.8258 -87.8258 -87.8206 -87.8206 -50.4265 -50.4265 -24.7203 -24.7203 -17.1272 -17.1272 -16.8393 -16.8393 5.1487 5.1487 7.4165 7.4165 8.1248 8.1248 11.9175 11.9175 12.5770 12.5770 13.8730 13.8730 14.0168 14.0168 14.4479 14.4479 k = 0.2440 0.4227-0.0000 ( 3272 PWs) bands (ev): -87.8260 -87.8260 -87.8204 -87.8204 -50.4266 -50.4266 -24.7198 -24.7198 -17.1255 -17.1255 -16.8389 -16.8389 5.0459 5.0459 7.4657 7.4657 8.2241 8.2241 11.8384 11.8384 12.5672 12.5672 13.9212 13.9212 14.0576 14.0576 14.4782 14.4782 k = 0.2381 0.4124-0.0000 ( 3272 PWs) bands (ev): -87.8262 -87.8262 -87.8202 -87.8202 -50.4267 -50.4267 -24.7193 -24.7193 -17.1236 -17.1236 -16.8384 -16.8384 4.9444 4.9444 7.5161 7.5161 8.3230 8.3230 11.7589 11.7589 12.5608 12.5608 13.9655 13.9655 14.1040 14.1040 14.5058 14.5058 k = 0.2321 0.4021-0.0000 ( 3274 PWs) bands (ev): -87.8264 -87.8264 -87.8200 -87.8200 -50.4267 -50.4267 -24.7188 -24.7188 -17.1215 -17.1215 -16.8379 -16.8379 4.8443 4.8443 7.5677 7.5677 8.4211 8.4211 11.6795 11.6795 12.5579 12.5579 14.0068 14.0068 14.1550 14.1550 14.5308 14.5308 k = 0.2262 0.3918-0.0000 ( 3274 PWs) bands (ev): -87.8266 -87.8266 -87.8198 -87.8198 -50.4268 -50.4268 -24.7183 -24.7183 -17.1193 -17.1193 -16.8374 -16.8374 4.7457 4.7457 7.6206 7.6206 8.5181 8.5181 11.6003 11.6003 12.5582 12.5582 14.0465 14.0465 14.2089 14.2089 14.5538 14.5538 k = 0.2202 0.3815-0.0000 ( 3278 PWs) bands (ev): -87.8268 -87.8268 -87.8196 -87.8196 -50.4269 -50.4269 -24.7178 -24.7178 -17.1170 -17.1170 -16.8369 -16.8369 4.6486 4.6486 7.6748 7.6748 8.6137 8.6137 11.5216 11.5216 12.5619 12.5619 14.0855 14.0855 14.2643 14.2643 14.5751 14.5751 k = 0.2143 0.3712-0.0000 ( 3278 PWs) bands (ev): -87.8270 -87.8270 -87.8194 -87.8194 -50.4270 -50.4270 -24.7172 -24.7172 -17.1146 -17.1146 -16.8363 -16.8363 4.5530 4.5530 7.7303 7.7303 8.7076 8.7076 11.4436 11.4436 12.5689 12.5689 14.1247 14.1247 14.3203 14.3203 14.5955 14.5955 k = 0.2083 0.3608-0.0000 ( 3276 PWs) bands (ev): -87.8271 -87.8271 -87.8193 -87.8193 -50.4271 -50.4271 -24.7166 -24.7166 -17.1121 -17.1121 -16.8358 -16.8358 4.4591 4.4591 7.7870 7.7870 8.7995 8.7995 11.3666 11.3666 12.5791 12.5791 14.1644 14.1644 14.3759 14.3759 14.6158 14.6158 k = 0.2024 0.3505-0.0000 ( 3276 PWs) bands (ev): -87.8273 -87.8273 -87.8191 -87.8191 -50.4272 -50.4272 -24.7159 -24.7159 -17.1094 -17.1094 -16.8352 -16.8352 4.3669 4.3669 7.8450 7.8450 8.8891 8.8891 11.2907 11.2907 12.5926 12.5926 14.2046 14.2046 14.4305 14.4305 14.6367 14.6367 k = 0.1964 0.3402-0.0000 ( 3270 PWs) bands (ev): -87.8275 -87.8275 -87.8189 -87.8189 -50.4273 -50.4273 -24.7153 -24.7153 -17.1067 -17.1067 -16.8346 -16.8346 4.2764 4.2764 7.9042 7.9042 8.9761 8.9761 11.2161 11.2161 12.6092 12.6092 14.2455 14.2455 14.4837 14.4837 14.6594 14.6594 k = 0.1905 0.3299-0.0000 ( 3282 PWs) bands (ev): -87.8277 -87.8277 -87.8187 -87.8187 -50.4274 -50.4274 -24.7146 -24.7146 -17.1038 -17.1038 -16.8341 -16.8341 4.1878 4.1878 7.9646 7.9646 9.0602 9.0602 11.1430 11.1430 12.6290 12.6290 14.2869 14.2869 14.5349 14.5349 14.6847 14.6847 k = 0.1845 0.3196-0.0000 ( 3286 PWs) bands (ev): -87.8279 -87.8279 -87.8185 -87.8185 -50.4275 -50.4275 -24.7139 -24.7139 -17.1009 -17.1009 -16.8335 -16.8335 4.1011 4.1011 8.0261 8.0261 9.1410 9.1410 11.0715 11.0715 12.6520 12.6520 14.3287 14.3287 14.5838 14.5838 14.7137 14.7137 k = 0.1786 0.3093-0.0000 ( 3290 PWs) bands (ev): -87.8281 -87.8281 -87.8183 -87.8183 -50.4276 -50.4276 -24.7132 -24.7132 -17.0979 -17.0979 -16.8329 -16.8329 4.0164 4.0164 8.0887 8.0887 9.2184 9.2184 11.0018 11.0018 12.6781 12.6781 14.3707 14.3707 14.6302 14.6302 14.7470 14.7470 k = 0.1726 0.2990-0.0000 ( 3292 PWs) bands (ev): -87.8282 -87.8282 -87.8182 -87.8182 -50.4277 -50.4277 -24.7125 -24.7125 -17.0948 -17.0948 -16.8323 -16.8323 3.9336 3.9336 8.1523 8.1523 9.2920 9.2920 10.9341 10.9341 12.7072 12.7072 14.4128 14.4128 14.6747 14.6747 14.7845 14.7845 k = 0.1667 0.2887-0.0000 ( 3292 PWs) bands (ev): -87.8284 -87.8284 -87.8180 -87.8180 -50.4278 -50.4278 -24.7118 -24.7118 -17.0917 -17.0917 -16.8317 -16.8317 3.8530 3.8530 8.2168 8.2168 9.3615 9.3615 10.8685 10.8685 12.7394 12.7394 14.4550 14.4550 14.7182 14.7182 14.8258 14.8258 k = 0.1607 0.2784-0.0000 ( 3290 PWs) bands (ev): -87.8286 -87.8286 -87.8178 -87.8178 -50.4279 -50.4279 -24.7110 -24.7110 -17.0885 -17.0885 -16.8312 -16.8312 3.7744 3.7744 8.2822 8.2822 9.4267 9.4267 10.8052 10.8052 12.7747 12.7747 14.4976 14.4976 14.7615 14.7615 14.8700 14.8700 k = 0.1548 0.2681-0.0000 ( 3286 PWs) bands (ev): -87.8287 -87.8287 -87.8177 -87.8177 -50.4280 -50.4280 -24.7103 -24.7103 -17.0853 -17.0853 -16.8306 -16.8306 3.6981 3.6981 8.3483 8.3483 9.4873 9.4873 10.7445 10.7445 12.8129 12.8129 14.5409 14.5409 14.8050 14.8050 14.9168 14.9168 k = 0.1488 0.2577-0.0000 ( 3282 PWs) bands (ev): -87.8289 -87.8289 -87.8175 -87.8175 -50.4281 -50.4281 -24.7095 -24.7095 -17.0821 -17.0821 -16.8300 -16.8300 3.6240 3.6240 8.4150 8.4150 9.5430 9.5430 10.6865 10.6865 12.8541 12.8541 14.5852 14.5852 14.8486 14.8486 14.9661 14.9661 k = 0.1429 0.2474-0.0000 ( 3278 PWs) bands (ev): -87.8290 -87.8290 -87.8174 -87.8174 -50.4282 -50.4282 -24.7088 -24.7088 -17.0789 -17.0789 -16.8294 -16.8294 3.5523 3.5523 8.4821 8.4821 9.5937 9.5937 10.6315 10.6315 12.8982 12.8982 14.6310 14.6310 14.8915 14.8915 15.0182 15.0182 k = 0.1369 0.2371-0.0000 ( 3278 PWs) bands (ev): -87.8292 -87.8292 -87.8172 -87.8172 -50.4283 -50.4283 -24.7081 -24.7081 -17.0757 -17.0757 -16.8288 -16.8288 3.4829 3.4829 8.5497 8.5497 9.6390 9.6390 10.5798 10.5798 12.9451 12.9451 14.6788 14.6788 14.9330 14.9330 15.0736 15.0736 k = 0.1310 0.2268-0.0000 ( 3274 PWs) bands (ev): -87.8293 -87.8293 -87.8171 -87.8171 -50.4284 -50.4284 -24.7073 -24.7073 -17.0725 -17.0725 -16.8282 -16.8282 3.4160 3.4160 8.6174 8.6174 9.6789 9.6789 10.5316 10.5316 12.9949 12.9949 14.7289 14.7289 14.9724 14.9724 15.1324 15.1324 k = 0.1250 0.2165-0.0000 ( 3279 PWs) bands (ev): -87.8295 -87.8295 -87.8169 -87.8169 -50.4285 -50.4285 -24.7066 -24.7066 -17.0693 -17.0693 -16.8276 -16.8276 3.3516 3.3516 8.6851 8.6851 9.7130 9.7130 10.4873 10.4873 13.0474 13.0474 14.7815 14.7815 15.0095 15.0095 15.1948 15.1948 k = 0.1190 0.2062-0.0000 ( 3275 PWs) bands (ev): -87.8296 -87.8296 -87.8168 -87.8168 -50.4286 -50.4286 -24.7059 -24.7059 -17.0662 -17.0662 -16.8271 -16.8271 3.2897 3.2897 8.7526 8.7526 9.7412 9.7412 10.4471 10.4471 13.1026 13.1026 14.8365 14.8365 15.0443 15.0443 15.2605 15.2605 k = 0.1131 0.1959-0.0000 ( 3275 PWs) bands (ev): -87.8297 -87.8297 -87.8167 -87.8167 -50.4287 -50.4287 -24.7052 -24.7052 -17.0632 -17.0632 -16.8265 -16.8265 3.2304 3.2304 8.8197 8.8197 9.7634 9.7634 10.4114 10.4114 13.1605 13.1605 14.8938 14.8938 15.0770 15.0770 15.3292 15.3292 k = 0.1071 0.1856-0.0000 ( 3275 PWs) bands (ev): -87.8299 -87.8299 -87.8165 -87.8165 -50.4288 -50.4288 -24.7045 -24.7045 -17.0602 -17.0602 -16.8259 -16.8259 3.1738 3.1738 8.8862 8.8862 9.7796 9.7796 10.3804 10.3804 13.2209 13.2209 14.9526 14.9526 15.1085 15.1085 15.4004 15.4004 k = 0.1012 0.1753-0.0000 ( 3279 PWs) bands (ev): -87.8300 -87.8300 -87.8164 -87.8164 -50.4289 -50.4289 -24.7038 -24.7038 -17.0573 -17.0573 -16.8254 -16.8254 3.1199 3.1199 8.9517 8.9517 9.7899 9.7899 10.3542 10.3542 13.2837 13.2837 15.0114 15.0114 15.1400 15.1400 15.4738 15.4738 k = 0.0952 0.1650-0.0000 ( 3275 PWs) bands (ev): -87.8301 -87.8301 -87.8163 -87.8163 -50.4290 -50.4290 -24.7032 -24.7032 -17.0545 -17.0545 -16.8249 -16.8249 3.0688 3.0688 9.0161 9.0161 9.7947 9.7947 10.3328 10.3328 13.3490 13.3490 15.0672 15.0672 15.1746 15.1746 15.5490 15.5490 k = 0.0893 0.1546-0.0000 ( 3279 PWs) bands (ev): -87.8302 -87.8302 -87.8162 -87.8162 -50.4291 -50.4291 -24.7025 -24.7025 -17.0518 -17.0518 -16.8244 -16.8244 3.0206 3.0206 9.0789 9.0789 9.7946 9.7946 10.3157 10.3157 13.4165 13.4165 15.1146 15.1146 15.2173 15.2173 15.6254 15.6254 k = 0.0833 0.1443-0.0000 ( 3283 PWs) bands (ev): -87.8303 -87.8303 -87.8161 -87.8161 -50.4292 -50.4292 -24.7020 -24.7020 -17.0493 -17.0493 -16.8239 -16.8239 2.9751 2.9751 9.1399 9.1399 9.7903 9.7903 10.3026 10.3026 13.4861 13.4861 15.1500 15.1500 15.2713 15.2713 15.7028 15.7028 k = 0.0774 0.1340-0.0000 ( 3281 PWs) bands (ev): -87.8304 -87.8304 -87.8160 -87.8160 -50.4293 -50.4293 -24.7014 -24.7014 -17.0468 -17.0468 -16.8234 -16.8234 2.9326 2.9326 9.1987 9.1987 9.7827 9.7827 10.2928 10.2928 13.5577 13.5577 15.1756 15.1756 15.3337 15.3337 15.7805 15.7805 k = 0.0714 0.1237-0.0000 ( 3277 PWs) bands (ev): -87.8305 -87.8305 -87.8159 -87.8159 -50.4294 -50.4294 -24.7009 -24.7009 -17.0445 -17.0445 -16.8230 -16.8230 2.8931 2.8931 9.2548 9.2548 9.7730 9.7730 10.2857 10.2857 13.6311 13.6311 15.1952 15.1952 15.4001 15.4001 15.8580 15.8580 k = 0.0655 0.1134-0.0000 ( 3277 PWs) bands (ev): -87.8306 -87.8306 -87.8158 -87.8158 -50.4294 -50.4294 -24.7004 -24.7004 -17.0424 -17.0424 -16.8225 -16.8225 2.8566 2.8566 9.3079 9.3079 9.7619 9.7619 10.2806 10.2806 13.7061 13.7061 15.2108 15.2108 15.4676 15.4676 15.9344 15.9344 k = 0.0595 0.1031-0.0000 ( 3281 PWs) bands (ev): -87.8306 -87.8306 -87.8158 -87.8158 -50.4295 -50.4295 -24.6999 -24.6999 -17.0404 -17.0404 -16.8221 -16.8221 2.8231 2.8231 9.3574 9.3574 9.7505 9.7505 10.2770 10.2770 13.7823 13.7823 15.2233 15.2233 15.5340 15.5340 16.0064 16.0064 k = 0.0536 0.0928-0.0000 ( 3293 PWs) bands (ev): -87.8307 -87.8307 -87.8157 -87.8157 -50.4296 -50.4296 -24.6995 -24.6995 -17.0386 -17.0386 -16.8218 -16.8218 2.7927 2.7927 9.4029 9.4029 9.7395 9.7395 10.2745 10.2745 13.8594 13.8594 15.2332 15.2332 15.5968 15.5968 16.0043 16.0043 k = 0.0476 0.0825-0.0000 ( 3285 PWs) bands (ev): -87.8308 -87.8308 -87.8156 -87.8156 -50.4296 -50.4296 -24.6991 -24.6991 -17.0369 -17.0369 -16.8214 -16.8214 2.7654 2.7654 9.4436 9.4436 9.7298 9.7298 10.2728 10.2728 13.9369 13.9369 15.2403 15.2403 15.6513 15.6513 15.9142 15.9142 k = 0.0417 0.0722-0.0000 ( 3289 PWs) bands (ev): -87.8308 -87.8308 -87.8156 -87.8156 -50.4297 -50.4297 -24.6988 -24.6988 -17.0354 -17.0354 -16.8212 -16.8212 2.7412 2.7412 9.4790 9.4790 9.7220 9.7220 10.2715 10.2715 14.0140 14.0140 15.2445 15.2445 15.6820 15.6820 15.8448 15.8448 k = 0.0357 0.0619-0.0000 ( 3283 PWs) bands (ev): -87.8309 -87.8309 -87.8155 -87.8155 -50.4297 -50.4297 -24.6985 -24.6985 -17.0341 -17.0341 -16.8209 -16.8209 2.7202 2.7202 9.5085 9.5085 9.7168 9.7168 10.2707 10.2707 14.0899 14.0899 15.2452 15.2452 15.6546 15.6546 15.8348 15.8348 k = 0.0298 0.0515-0.0000 ( 3283 PWs) bands (ev): -87.8309 -87.8309 -87.8155 -87.8155 -50.4297 -50.4297 -24.6982 -24.6982 -17.0330 -17.0330 -16.8207 -16.8207 2.7024 2.7024 9.5316 9.5316 9.7144 9.7144 10.2701 10.2701 14.1631 14.1631 15.2413 15.2413 15.5907 15.5907 15.8644 15.8644 k = 0.0238 0.0412-0.0000 ( 3283 PWs) bands (ev): -87.8309 -87.8309 -87.8155 -87.8155 -50.4298 -50.4298 -24.6980 -24.6980 -17.0321 -17.0321 -16.8205 -16.8205 2.6878 2.6878 9.5484 9.5484 9.7148 9.7148 10.2696 10.2696 14.2316 14.2316 15.2316 15.2316 15.5274 15.5274 15.8989 15.8989 k = 0.0179 0.0309-0.0000 ( 3283 PWs) bands (ev): -87.8310 -87.8310 -87.8154 -87.8154 -50.4298 -50.4298 -24.6978 -24.6978 -17.0314 -17.0314 -16.8203 -16.8203 2.6764 2.6764 9.5596 9.5596 9.7171 9.7171 10.2693 10.2693 14.2925 14.2925 15.2155 15.2155 15.4768 15.4768 15.9289 15.9289 k = 0.0119 0.0206-0.0000 ( 3279 PWs) bands (ev): -87.8310 -87.8310 -87.8154 -87.8154 -50.4298 -50.4298 -24.6977 -24.6977 -17.0309 -17.0309 -16.8202 -16.8202 2.6683 2.6683 9.5663 9.5663 9.7201 9.7201 10.2691 10.2691 14.3417 14.3417 15.1955 15.1955 15.4428 15.4428 15.9514 15.9514 k = 0.0060 0.0103-0.0000 ( 3281 PWs) bands (ev): -87.8310 -87.8310 -87.8154 -87.8154 -50.4298 -50.4298 -24.6976 -24.6976 -17.0306 -17.0306 -16.8201 -16.8201 2.6634 2.6634 9.5698 9.5698 9.7225 9.7225 10.2690 10.2690 14.3743 14.3743 15.1783 15.1783 15.4242 15.4242 15.9653 15.9653 k = 0.0000 0.0000 0.0000 ( 3287 PWs) bands (ev): -87.8310 -87.8310 -87.8154 -87.8154 -50.4298 -50.4298 -24.6976 -24.6976 -17.0305 -17.0305 -16.8201 -16.8201 2.6618 2.6618 9.5708 9.5708 9.7234 9.7234 10.2689 10.2689 14.3858 14.3858 15.1715 15.1715 15.4184 15.4184 15.9700 15.9700 k = 0.0000 0.0000 0.0000 ( 3287 PWs) bands (ev): -87.8310 -87.8310 -87.8154 -87.8154 -50.4298 -50.4298 -24.6976 -24.6976 -17.0305 -17.0305 -16.8201 -16.8201 2.6618 2.6618 9.5708 9.5708 9.7234 9.7234 10.2689 10.2689 14.3858 14.3858 15.1715 15.1715 15.4184 15.4184 15.9700 15.9700 k = 0.0000 0.0000 0.0120 ( 3275 PWs) bands (ev): -87.8310 -87.8310 -87.8154 -87.8154 -50.4298 -50.4298 -24.6977 -24.6977 -17.0304 -17.0304 -16.8205 -16.8205 2.6636 2.6636 9.5721 9.5721 9.7247 9.7247 10.2686 10.2686 14.3822 14.3822 15.1424 15.1424 15.3917 15.3917 16.0025 16.0025 k = 0.0000 0.0000 0.0239 ( 3275 PWs) bands (ev): -87.8310 -87.8310 -87.8154 -87.8154 -50.4297 -50.4297 -24.6979 -24.6979 -17.0302 -17.0302 -16.8216 -16.8216 2.6689 2.6689 9.5761 9.5761 9.7288 9.7288 10.2678 10.2678 14.3713 14.3713 15.0664 15.0664 15.3189 15.3189 16.0889 16.0889 k = 0.0000 0.0000 0.0359 ( 3275 PWs) bands (ev): -87.8310 -87.8310 -87.8154 -87.8154 -50.4296 -50.4296 -24.6982 -24.6982 -17.0299 -17.0299 -16.8234 -16.8234 2.6778 2.6778 9.5827 9.5827 9.7354 9.7354 10.2663 10.2663 14.3527 14.3527 14.9640 14.9640 15.2147 15.2147 16.2092 16.2092 k = 0.0000 0.0000 0.0478 ( 3275 PWs) bands (ev): -87.8310 -87.8310 -87.8154 -87.8154 -50.4295 -50.4295 -24.6986 -24.6986 -17.0295 -17.0295 -16.8259 -16.8259 2.6902 2.6902 9.5919 9.5919 9.7448 9.7448 10.2640 10.2640 14.3258 14.3258 14.8506 14.8506 15.0919 15.0919 16.3494 16.3494 k = 0.0000 0.0000 0.0598 ( 3281 PWs) bands (ev): -87.8310 -87.8310 -87.8154 -87.8154 -50.4293 -50.4293 -24.6992 -24.6992 -17.0290 -17.0290 -16.8291 -16.8291 2.7061 2.7061 9.6037 9.6037 9.7568 9.7568 10.2605 10.2605 14.2888 14.2888 14.7361 14.7361 14.9587 14.9587 16.5017 16.5017 k = 0.0000 0.0000 0.0717 ( 3281 PWs) bands (ev): -87.8310 -87.8310 -87.8154 -87.8154 -50.4291 -50.4291 -24.6999 -24.6999 -17.0284 -17.0284 -16.8330 -16.8330 2.7255 2.7255 9.6181 9.6181 9.7716 9.7716 10.2557 10.2557 14.2392 14.2392 14.6281 14.6281 14.8198 14.8198 16.5633 16.5633 k = 0.0000 0.0000 0.0837 ( 3281 PWs) bands (ev): -87.8310 -87.8310 -87.8154 -87.8154 -50.4289 -50.4289 -24.7007 -24.7007 -17.0276 -17.0276 -16.8376 -16.8376 2.7484 2.7484 9.6352 9.6352 9.7889 9.7889 10.2491 10.2491 14.1732 14.1732 14.5334 14.5334 14.6782 14.6782 16.5601 16.5601 k = 0.0000 0.0000 0.0957 ( 3275 PWs) bands (ev): -87.8310 -87.8310 -87.8154 -87.8154 -50.4286 -50.4286 -24.7017 -24.7017 -17.0267 -17.0267 -16.8428 -16.8428 2.7747 2.7747 9.6549 9.6549 9.8090 9.8090 10.2403 10.2403 14.0889 14.0889 14.4563 14.4563 14.5356 14.5356 16.5564 16.5564 k = 0.0000 0.0000 0.1076 ( 3257 PWs) bands (ev): -87.8310 -87.8310 -87.8154 -87.8154 -50.4282 -50.4282 -24.7027 -24.7027 -17.0257 -17.0257 -16.8486 -16.8486 2.8044 2.8044 9.6772 9.6772 9.8317 9.8317 10.2288 10.2288 13.9885 13.9885 14.3933 14.3933 14.3964 14.3964 16.5523 16.5523 k = 0.0000 0.0000 0.1196 ( 3245 PWs) bands (ev): -87.8310 -87.8310 -87.8154 -87.8154 -50.4278 -50.4278 -24.7038 -24.7038 -17.0247 -17.0247 -16.8551 -16.8551 2.8374 2.8374 9.7020 9.7020 9.8571 9.8571 10.2142 10.2142 13.8771 13.8771 14.2519 14.2519 14.3504 14.3504 16.5478 16.5478 k = 0.0000 0.0000 0.1315 ( 3257 PWs) bands (ev): -87.8310 -87.8310 -87.8154 -87.8154 -50.4274 -50.4274 -24.7051 -24.7051 -17.0235 -17.0235 -16.8621 -16.8621 2.8738 2.8738 9.7295 9.7295 9.8851 9.8851 10.1959 10.1959 13.7596 13.7596 14.1119 14.1119 14.3150 14.3150 16.5429 16.5429 k = 0.0000 0.0000 0.1435 ( 3269 PWs) bands (ev): -87.8310 -87.8310 -87.8154 -87.8154 -50.4270 -50.4270 -24.7065 -24.7065 -17.0222 -17.0222 -16.8696 -16.8696 2.9133 2.9133 9.7596 9.7596 9.9158 9.9158 10.1733 10.1733 13.6392 13.6392 13.9739 13.9739 14.2882 14.2882 16.5376 16.5376 k = 0.0000 0.0000 0.1554 ( 3269 PWs) bands (ev): -87.8310 -87.8310 -87.8154 -87.8154 -50.4266 -50.4266 -24.7080 -24.7080 -17.0209 -17.0209 -16.8777 -16.8777 2.9561 2.9561 9.7923 9.7923 9.9491 9.9491 10.1460 10.1460 13.5181 13.5181 13.8380 13.8380 14.2694 14.2694 16.5319 16.5319 k = 0.0000 0.0000 0.1674 ( 3269 PWs) bands (ev): -87.8310 -87.8310 -87.8154 -87.8154 -50.4261 -50.4261 -24.7096 -24.7096 -17.0195 -17.0195 -16.8862 -16.8862 3.0020 3.0020 9.8276 9.8276 9.9851 9.9851 10.1134 10.1134 13.3974 13.3974 13.7045 13.7045 14.2586 14.2586 16.5259 16.5259 k = 0.0000 0.0000 0.1794 ( 3269 PWs) bands (ev): -87.8310 -87.8310 -87.8154 -87.8154 -50.4256 -50.4256 -24.7112 -24.7112 -17.0179 -17.0179 -16.8951 -16.8951 3.0510 3.0510 9.8654 9.8654 10.0237 10.0237 10.0753 10.0753 13.2779 13.2779 13.5736 13.5736 14.2559 14.2559 16.5195 16.5195 k = 0.0000 0.0000 0.1913 ( 3281 PWs) bands (ev): -87.8310 -87.8310 -87.8154 -87.8154 -50.4251 -50.4251 -24.7130 -24.7130 -17.0164 -17.0164 -16.9044 -16.9044 3.1031 3.1031 9.9058 9.9058 10.0311 10.0311 10.0650 10.0650 13.1601 13.1601 13.4455 13.4455 14.2620 14.2620 16.5129 16.5129 k = 0.0000 0.0000 0.2033 ( 3293 PWs) bands (ev): -87.8310 -87.8310 -87.8154 -87.8154 -50.4245 -50.4245 -24.7148 -24.7148 -17.0147 -17.0147 -16.9141 -16.9141 3.1580 3.1580 9.9487 9.9487 9.9808 9.9808 10.1088 10.1088 13.0444 13.0444 13.3202 13.3202 14.2771 14.2771 16.5059 16.5059 k = 0.0000 0.0000 0.2152 ( 3293 PWs) bands (ev): -87.8310 -87.8310 -87.8154 -87.8154 -50.4239 -50.4239 -24.7167 -24.7167 -17.0130 -17.0130 -16.9241 -16.9241 3.2159 3.2159 9.9242 9.9242 9.9942 9.9942 10.1553 10.1553 12.9311 12.9311 13.1979 13.1979 14.3017 14.3017 16.4987 16.4987 k = 0.0000 0.0000 0.2272 ( 3281 PWs) bands (ev): -87.8310 -87.8310 -87.8154 -87.8154 -50.4233 -50.4233 -24.7186 -24.7186 -17.0113 -17.0113 -16.9343 -16.9343 3.2766 3.2766 9.8611 9.8611 10.0422 10.0422 10.2044 10.2044 12.8203 12.8203 13.0787 13.0787 14.3360 14.3360 16.4914 16.4914 k = 0.0000 0.0000 0.2391 ( 3281 PWs) bands (ev): -87.8310 -87.8310 -87.8154 -87.8154 -50.4227 -50.4227 -24.7206 -24.7206 -17.0095 -17.0095 -16.9447 -16.9447 3.3401 3.3401 9.7918 9.7918 10.0927 10.0927 10.2562 10.2562 12.7122 12.7122 12.9627 12.9627 14.3802 14.3802 16.4838 16.4838 k = 0.0000 0.0000 0.2511 ( 3281 PWs) bands (ev): -87.8310 -87.8310 -87.8154 -87.8154 -50.4221 -50.4221 -24.7226 -24.7226 -17.0076 -17.0076 -16.9554 -16.9554 3.4062 3.4062 9.7164 9.7164 10.1457 10.1457 10.3105 10.3105 12.6069 12.6069 12.8500 12.8500 14.4343 14.4343 16.4761 16.4761 k = 0.0000 0.0000 0.2631 ( 3293 PWs) bands (ev): -87.8310 -87.8310 -87.8154 -87.8154 -50.4215 -50.4215 -24.7247 -24.7247 -17.0058 -17.0058 -16.9662 -16.9662 3.4749 3.4749 9.6351 9.6351 10.2011 10.2011 10.3673 10.3673 12.5046 12.5046 12.7405 12.7405 14.4984 14.4984 16.4682 16.4682 k = 0.0000 0.0000 0.2750 ( 3293 PWs) bands (ev): -87.8310 -87.8310 -87.8154 -87.8154 -50.4208 -50.4208 -24.7268 -24.7268 -17.0039 -17.0039 -16.9770 -16.9770 3.5462 3.5462 9.5483 9.5483 10.2590 10.2590 10.4268 10.4268 12.4052 12.4052 12.6345 12.6345 14.5722 14.5722 16.4602 16.4602 k = 0.0000 0.0000 0.2870 ( 3293 PWs) bands (ev): -87.8310 -87.8310 -87.8154 -87.8154 -50.4202 -50.4202 -24.7289 -24.7289 -17.0019 -17.0019 -16.9879 -16.9879 3.6200 3.6200 9.4563 9.4563 10.3193 10.3193 10.4888 10.4888 12.3090 12.3090 12.5319 12.5319 14.6554 14.6554 16.4522 16.4522 k = 0.0000 0.0000 0.2989 ( 3281 PWs) bands (ev): -87.8310 -87.8310 -87.8154 -87.8154 -50.4195 -50.4195 -24.7310 -24.7310 -17.0000 -17.0000 -16.9988 -16.9988 3.6962 3.6962 9.3596 9.3596 10.3820 10.3820 10.5534 10.5534 12.2159 12.2159 12.4329 12.4329 14.7479 14.7479 16.4442 16.4627 k = 0.0000 0.0000 0.3109 ( 3281 PWs) bands (ev): -87.8310 -87.8310 -87.8154 -87.8154 -50.4189 -50.4189 -24.7331 -24.7331 -17.0096 -17.0096 -16.9981 -16.9981 3.7747 3.7747 9.2585 9.2585 10.4471 10.4471 10.6204 10.6204 12.1261 12.1261 12.3375 12.3375 14.8493 14.8493 16.3149 16.3149 k = 0.0000 0.0000 0.3228 ( 3281 PWs) bands (ev): -87.8310 -87.8310 -87.8154 -87.8154 -50.4183 -50.4183 -24.7353 -24.7353 -17.0204 -17.0204 -16.9962 -16.9962 3.8554 3.8554 9.1535 9.1535 10.5144 10.5144 10.6900 10.6900 12.0395 12.0395 12.2458 12.2458 14.9591 14.9591 16.1665 16.1665 k = 0.0000 0.0000 0.3348 ( 3269 PWs) bands (ev): -87.8310 -87.8310 -87.8154 -87.8154 -50.4176 -50.4176 -24.7374 -24.7374 -17.0311 -17.0311 -16.9943 -16.9943 3.9384 3.9384 9.0451 9.0451 10.5839 10.5839 10.7621 10.7621 11.9563 11.9563 12.1578 12.1578 15.0769 15.0769 16.0178 16.0178 k = 0.0000 0.0000 0.3468 ( 3269 PWs) bands (ev): -87.8310 -87.8310 -87.8154 -87.8154 -50.4170 -50.4170 -24.7395 -24.7395 -17.0415 -17.0415 -16.9924 -16.9924 4.0234 4.0234 8.9335 8.9335 10.6557 10.6557 10.8367 10.8367 11.8765 11.8765 12.0736 12.0736 15.2024 15.2024 15.8692 15.8692 k = 0.0000 0.0000 0.3587 ( 3269 PWs) bands (ev): -87.8310 -87.8310 -87.8154 -87.8154 -50.4164 -50.4164 -24.7415 -24.7415 -17.0518 -17.0518 -16.9905 -16.9905 4.1105 4.1105 8.8194 8.8194 10.7294 10.7294 10.9137 10.9137 11.8001 11.8001 11.9934 11.9934 15.3349 15.3349 15.7208 15.7208 k = 0.0000 0.0000 0.3707 ( 3269 PWs) bands (ev): -87.8310 -87.8310 -87.8154 -87.8154 -50.4157 -50.4157 -24.7436 -24.7436 -17.0619 -17.0619 -16.9887 -16.9887 4.1995 4.1995 8.7029 8.7029 10.8051 10.8051 10.9931 10.9931 11.7273 11.7273 11.9172 11.9172 15.4741 15.4741 15.5728 15.5728 k = 0.0000 0.0000 0.3826 ( 3281 PWs) bands (ev): -87.8310 -87.8310 -87.8154 -87.8154 -50.4152 -50.4152 -24.7456 -24.7456 -17.0716 -17.0716 -16.9870 -16.9870 4.2904 4.2904 8.5845 8.5845 10.8825 10.8825 11.0749 11.0749 11.6579 11.6579 11.8453 11.8453 15.4254 15.4254 15.6074 15.6074 k = 0.0000 0.0000 0.3946 ( 3263 PWs) bands (ev): -87.8310 -87.8310 -87.8153 -87.8153 -50.4146 -50.4146 -24.7475 -24.7475 -17.0811 -17.0811 -16.9852 -16.9852 4.3831 4.3831 8.4646 8.4646 10.9613 10.9613 11.1590 11.1590 11.5921 11.5921 11.7779 11.7779 15.2790 15.2790 15.4552 15.4552 k = 0.0000 0.0000 0.4065 ( 3251 PWs) bands (ev): -87.8309 -87.8309 -87.8153 -87.8153 -50.4140 -50.4140 -24.7493 -24.7493 -17.0901 -17.0901 -16.9835 -16.9835 4.4775 4.4775 8.3435 8.3435 11.0411 11.0411 11.2455 11.2455 11.5299 11.5299 11.7155 11.7155 15.1335 15.1335 15.3040 15.3040 k = 0.0000 0.0000 0.4185 ( 3245 PWs) bands (ev): -87.8309 -87.8309 -87.8153 -87.8153 -50.4135 -50.4135 -24.7511 -24.7511 -17.0988 -17.0988 -16.9819 -16.9819 4.5734 4.5734 8.2215 8.2215 11.1207 11.1207 11.3342 11.3342 11.4714 11.4714 11.6590 11.6590 14.9894 14.9894 15.1539 15.1539 k = 0.0000 0.0000 0.4305 ( 3239 PWs) bands (ev): -87.8309 -87.8309 -87.8153 -87.8153 -50.4129 -50.4129 -24.7528 -24.7528 -17.1071 -17.1071 -16.9804 -16.9804 4.6709 4.6709 8.0989 8.0989 11.1982 11.1982 11.4164 11.4164 11.4251 11.4251 11.6104 11.6104 14.8467 14.8467 15.0052 15.0052 k = 0.0000 0.0000 0.4424 ( 3245 PWs) bands (ev): -87.8309 -87.8309 -87.8153 -87.8153 -50.4125 -50.4125 -24.7545 -24.7545 -17.1150 -17.1150 -16.9790 -16.9790 4.7696 4.7696 7.9760 7.9760 11.2686 11.2686 11.3652 11.3652 11.5181 11.5181 11.5744 11.5744 14.7058 14.7058 14.8580 14.8580 k = 0.0000 0.0000 0.4544 ( 3245 PWs) bands (ev): -87.8309 -87.8309 -87.8153 -87.8153 -50.4120 -50.4120 -24.7560 -24.7560 -17.1223 -17.1223 -16.9776 -16.9776 4.8696 4.8696 7.8531 7.8531 11.3177 11.3177 11.3204 11.3204 11.5626 11.5626 11.6131 11.6131 14.5669 14.5669 14.7125 14.7125 k = 0.0000 0.0000 0.4663 ( 3245 PWs) bands (ev): -87.8309 -87.8309 -87.8153 -87.8153 -50.4116 -50.4116 -24.7575 -24.7575 -17.1292 -17.1292 -16.9763 -16.9763 4.9705 4.9705 7.7307 7.7307 11.2739 11.2739 11.3383 11.3383 11.5899 11.5899 11.7099 11.7099 14.4303 14.4303 14.5690 14.5690 k = 0.0000 0.0000 0.4783 ( 3245 PWs) bands (ev): -87.8309 -87.8309 -87.8153 -87.8153 -50.4112 -50.4112 -24.7588 -24.7588 -17.1356 -17.1356 -16.9751 -16.9751 5.0722 5.0722 7.6089 7.6089 11.2338 11.2338 11.3270 11.3270 11.6514 11.6514 11.8085 11.8085 14.2963 14.2963 14.4275 14.4275 k = 0.0000 0.0000 0.4902 ( 3245 PWs) bands (ev): -87.8309 -87.8309 -87.8153 -87.8153 -50.4108 -50.4108 -24.7600 -24.7600 -17.1414 -17.1414 -16.9741 -16.9741 5.1743 5.1743 7.4884 7.4884 11.1975 11.1975 11.3036 11.3036 11.7296 11.7296 11.9085 11.9085 14.1655 14.1655 14.2886 14.2886 k = 0.0000 0.0000 0.5022 ( 3239 PWs) bands (ev): -87.8309 -87.8309 -87.8153 -87.8153 -50.4105 -50.4105 -24.7611 -24.7611 -17.1467 -17.1467 -16.9731 -16.9731 5.2765 5.2765 7.3695 7.3695 11.1650 11.1650 11.2772 11.2772 11.8148 11.8148 12.0097 12.0097 14.0384 14.0384 14.1524 14.1524 k = 0.0000 0.0000 0.5142 ( 3240 PWs) bands (ev): -87.8309 -87.8309 -87.8153 -87.8153 -50.4102 -50.4102 -24.7621 -24.7621 -17.1513 -17.1513 -16.9722 -16.9722 5.3780 5.3780 7.2530 7.2530 11.1363 11.1363 11.2517 11.2517 11.9025 11.9025 12.1115 12.1115 13.9159 13.9159 14.0196 14.0196 k = 0.0000 0.0000 0.5261 ( 3240 PWs) bands (ev): -87.8309 -87.8309 -87.8153 -87.8153 -50.4099 -50.4099 -24.7630 -24.7630 -17.1554 -17.1554 -16.9714 -16.9714 5.4781 5.4781 7.1398 7.1398 11.1113 11.1113 11.2284 11.2284 11.9902 11.9902 12.2133 12.2133 13.7992 13.7992 13.8909 13.8909 k = 0.0000 0.0000 0.5381 ( 3240 PWs) bands (ev): -87.8309 -87.8309 -87.8153 -87.8153 -50.4097 -50.4097 -24.7638 -24.7638 -17.1589 -17.1589 -16.9708 -16.9708 5.5753 5.5753 7.0314 7.0314 11.0902 11.0902 11.2081 11.2081 12.0755 12.0755 12.3138 12.3138 13.6897 13.6897 13.7676 13.7676 k = 0.0000 0.0000 0.5500 ( 3240 PWs) bands (ev): -87.8309 -87.8309 -87.8153 -87.8153 -50.4095 -50.4095 -24.7644 -24.7644 -17.1618 -17.1618 -16.9702 -16.9702 5.6676 5.6676 6.9299 6.9299 11.0730 11.0730 11.1912 11.1912 12.1557 12.1557 12.4111 12.4111 13.5900 13.5900 13.6516 13.6516 k = 0.0000 0.0000 0.5620 ( 3240 PWs) bands (ev): -87.8309 -87.8309 -87.8153 -87.8153 -50.4094 -50.4094 -24.7649 -24.7649 -17.1640 -17.1640 -16.9698 -16.9698 5.7514 5.7514 6.8389 6.8389 11.0595 11.0595 11.1780 11.1780 12.2272 12.2272 12.5017 12.5017 13.5034 13.5034 13.5464 13.5464 k = 0.0000 0.0000 0.5739 ( 3234 PWs) bands (ev): -87.8309 -87.8309 -87.8153 -87.8153 -50.4093 -50.4093 -24.7652 -24.7652 -17.1656 -17.1656 -16.9695 -16.9695 5.8213 5.8213 6.7638 6.7638 11.0499 11.0499 11.1684 11.1684 12.2851 12.2851 12.5798 12.5798 13.4349 13.4349 13.4579 13.4579 k = 0.0000 0.0000 0.5859 ( 3246 PWs) bands (ev): -87.8309 -87.8309 -87.8153 -87.8153 -50.4092 -50.4092 -24.7654 -24.7654 -17.1666 -17.1666 -16.9693 -16.9693 5.8692 5.8692 6.7128 6.7128 11.0441 11.0441 11.1627 11.1627 12.3235 12.3235 12.6353 12.6353 13.3901 13.3901 13.3961 13.3961 k = 0.0000 0.0000 0.5979 ( 3246 PWs) bands (ev): -87.8309 -87.8309 -87.8153 -87.8153 -50.4092 -50.4092 -24.7655 -24.7655 -17.1669 -17.1669 -16.9693 -16.9693 5.8865 5.8865 6.6944 6.6944 11.0422 11.0422 11.1607 11.1607 12.3370 12.3370 12.6559 12.6559 13.3734 13.3734 13.3744 13.3744 k = 0.0000 0.0000 0.5979 ( 3246 PWs) bands (ev): -87.8309 -87.8309 -87.8153 -87.8153 -50.4092 -50.4092 -24.7655 -24.7655 -17.1669 -17.1669 -16.9693 -16.9693 5.8865 5.8865 6.6944 6.6944 11.0422 11.0422 11.1607 11.1607 12.3370 12.3370 12.6559 12.6559 13.3734 13.3734 13.3744 13.3744 k = 0.0104 0.0060 0.5979 ( 3242 PWs) bands (ev): -87.8309 -87.8309 -87.8153 -87.8153 -50.4092 -50.4092 -24.7655 -24.7655 -17.1669 -17.1669 -16.9694 -16.9694 5.8886 5.8886 6.6943 6.6943 11.0368 11.0368 11.1550 11.1550 12.3348 12.3348 12.6537 12.6537 13.3803 13.3803 13.3824 13.3824 k = 0.0208 0.0120 0.5979 ( 3238 PWs) bands (ev): -87.8309 -87.8309 -87.8154 -87.8154 -50.4092 -50.4092 -24.7656 -24.7656 -17.1670 -17.1670 -16.9696 -16.9696 5.8949 5.8949 6.6938 6.6938 11.0209 11.0209 11.1378 11.1378 12.3278 12.3278 12.6477 12.6477 13.3993 13.3993 13.4077 13.4077 k = 0.0312 0.0180 0.5979 ( 3230 PWs) bands (ev): -87.8309 -87.8309 -87.8154 -87.8154 -50.4092 -50.4092 -24.7657 -24.7657 -17.1670 -17.1670 -16.9701 -16.9701 5.9054 5.9054 6.6930 6.6930 10.9950 10.9950 11.1102 11.1102 12.3148 12.3148 12.6398 12.6398 13.4302 13.4302 13.4491 13.4491 k = 0.0417 0.0241 0.5979 ( 3234 PWs) bands (ev): -87.8309 -87.8309 -87.8154 -87.8154 -50.4091 -50.4091 -24.7658 -24.7658 -17.1671 -17.1671 -16.9708 -16.9708 5.9200 5.9200 6.6918 6.6918 10.9599 10.9599 11.0730 11.0730 12.2939 12.2939 12.6327 12.6327 13.4723 13.4723 13.5052 13.5052 k = 0.0521 0.0301 0.5979 ( 3238 PWs) bands (ev): -87.8308 -87.8308 -87.8154 -87.8154 -50.4091 -50.4091 -24.7660 -24.7660 -17.1672 -17.1672 -16.9716 -16.9716 5.9387 5.9387 6.6904 6.6904 10.9166 10.9166 11.0277 11.0277 12.2635 12.2635 12.6290 12.6290 13.5245 13.5245 13.5746 13.5746 k = 0.0625 0.0361 0.5979 ( 3242 PWs) bands (ev): -87.8308 -87.8308 -87.8155 -87.8155 -50.4091 -50.4091 -24.7662 -24.7662 -17.1674 -17.1674 -16.9726 -16.9726 5.9615 5.9615 6.6887 6.6887 10.8663 10.8663 10.9755 10.9755 12.2228 12.2228 12.6310 12.6310 13.5859 13.5859 13.6559 13.6559 k = 0.0729 0.0421 0.5979 ( 3246 PWs) bands (ev): -87.8307 -87.8307 -87.8155 -87.8155 -50.4090 -50.4090 -24.7665 -24.7665 -17.1676 -17.1676 -16.9738 -16.9738 5.9884 5.9884 6.6867 6.6867 10.8101 10.8101 10.9177 10.9177 12.1720 12.1720 12.6394 12.6394 13.6552 13.6552 13.7475 13.7475 k = 0.0833 0.0481 0.5979 ( 3250 PWs) bands (ev): -87.8307 -87.8307 -87.8156 -87.8156 -50.4090 -50.4090 -24.7668 -24.7668 -17.1678 -17.1678 -16.9752 -16.9752 6.0193 6.0193 6.6845 6.6845 10.7492 10.7492 10.8555 10.8555 12.1123 12.1123 12.6542 12.6542 13.7315 13.7315 13.8482 13.8482 k = 0.0938 0.0541 0.5979 ( 3254 PWs) bands (ev): -87.8306 -87.8306 -87.8156 -87.8156 -50.4089 -50.4089 -24.7671 -24.7671 -17.1680 -17.1680 -16.9767 -16.9767 6.0542 6.0542 6.6820 6.6820 10.6845 10.6845 10.7899 10.7899 12.0452 12.0452 12.6751 12.6751 13.8139 13.8139 13.9568 13.9568 k = 0.1042 0.0601 0.5979 ( 3250 PWs) bands (ev): -87.8306 -87.8306 -87.8157 -87.8157 -50.4089 -50.4089 -24.7675 -24.7675 -17.1682 -17.1682 -16.9783 -16.9783 6.0929 6.0929 6.6793 6.6793 10.6169 10.6169 10.7218 10.7218 11.9722 11.9722 12.7015 12.7015 13.9014 13.9014 14.0724 14.0724 k = 0.1146 0.0662 0.5979 ( 3252 PWs) bands (ev): -87.8305 -87.8305 -87.8158 -87.8158 -50.4088 -50.4088 -24.7679 -24.7679 -17.1685 -17.1685 -16.9801 -16.9801 6.1354 6.1354 6.6765 6.6765 10.5473 10.5473 10.6518 10.6518 11.8948 11.8948 12.7328 12.7328 13.9934 13.9934 14.1941 14.1941 k = 0.1250 0.0722 0.5979 ( 3260 PWs) bands (ev): -87.8304 -87.8304 -87.8159 -87.8159 -50.4087 -50.4087 -24.7683 -24.7683 -17.1688 -17.1688 -16.9821 -16.9821 6.1815 6.1815 6.6737 6.6737 10.4763 10.4763 10.5807 10.5807 11.8141 11.8141 12.7687 12.7687 14.0891 14.0891 14.3213 14.3213 k = 0.1354 0.0782 0.5979 ( 3266 PWs) bands (ev): -87.8303 -87.8303 -87.8160 -87.8160 -50.4087 -50.4087 -24.7688 -24.7688 -17.1691 -17.1691 -16.9842 -16.9842 6.2312 6.2312 6.6709 6.6709 10.4045 10.4045 10.5088 10.5088 11.7312 11.7312 12.8088 12.8088 14.1880 14.1880 14.4534 14.4534 k = 0.1458 0.0842 0.5979 ( 3266 PWs) bands (ev): -87.8302 -87.8302 -87.8161 -87.8161 -50.4086 -50.4086 -24.7693 -24.7693 -17.1695 -17.1695 -16.9863 -16.9863 6.2840 6.2840 6.6683 6.6683 10.3325 10.3325 10.4366 10.4366 11.6467 11.6467 12.8530 12.8530 14.2897 14.2897 14.5897 14.5897 k = 0.1562 0.0902 0.5979 ( 3270 PWs) bands (ev): -87.8301 -87.8301 -87.8162 -87.8162 -50.4085 -50.4085 -24.7698 -24.7698 -17.1699 -17.1699 -16.9886 -16.9886 6.3397 6.3397 6.6663 6.6663 10.2607 10.2607 10.3646 10.3646 11.5614 11.5614 12.9009 12.9009 14.3936 14.3936 14.7300 14.7300 k = 0.1667 0.0962 0.5979 ( 3266 PWs) bands (ev): -87.8300 -87.8300 -87.8163 -87.8163 -50.4084 -50.4084 -24.7704 -24.7704 -17.1703 -17.1703 -16.9910 -16.9910 6.3975 6.3975 6.6654 6.6654 10.1893 10.1893 10.2930 10.2930 11.4760 11.4760 12.9524 12.9524 14.4994 14.4994 14.8738 14.8738 k = 0.1771 0.1022 0.5979 ( 3264 PWs) bands (ev): -87.8299 -87.8299 -87.8164 -87.8164 -50.4083 -50.4083 -24.7709 -24.7709 -17.1707 -17.1707 -16.9934 -16.9934 6.4559 6.4559 6.6672 6.6672 10.1188 10.1188 10.2221 10.2221 11.3908 11.3908 13.0074 13.0074 14.6068 14.6068 15.0207 15.0207 k = 0.1875 0.1083 0.5979 ( 3258 PWs) bands (ev): -87.8298 -87.8298 -87.8165 -87.8165 -50.4082 -50.4082 -24.7715 -24.7715 -17.1711 -17.1711 -16.9959 -16.9959 6.5115 6.5115 6.6750 6.6750 10.0494 10.0494 10.1521 10.1521 11.3064 11.3064 13.0658 13.0658 14.7154 14.7154 15.1705 15.1705 k = 0.1979 0.1143 0.5979 ( 3262 PWs) bands (ev): -87.8296 -87.8296 -87.8166 -87.8166 -50.4081 -50.4081 -24.7721 -24.7721 -17.1716 -17.1716 -16.9985 -16.9985 6.5563 6.5563 6.6964 6.6964 9.9812 9.9812 10.0833 10.0833 11.2230 11.2230 13.1274 13.1274 14.8251 14.8251 15.3228 15.3228 k = 0.2083 0.1203 0.5979 ( 3264 PWs) bands (ev): -87.8295 -87.8295 -87.8168 -87.8168 -50.4080 -50.4080 -24.7727 -24.7727 -17.1721 -17.1721 -17.0011 -17.0011 6.5822 6.5822 6.7397 6.7397 9.9145 9.9145 10.0158 10.0158 11.1410 11.1410 13.1921 13.1921 14.9355 14.9355 15.4775 15.4775 k = 0.2188 0.1263 0.5979 ( 3260 PWs) bands (ev): -87.8294 -87.8294 -87.8169 -87.8169 -50.4079 -50.4079 -24.7733 -24.7733 -17.1726 -17.1726 -17.0037 -17.0037 6.5923 6.5923 6.8016 6.8016 9.8494 9.8494 9.9497 9.9497 11.0607 11.0607 13.2598 13.2598 15.0465 15.0465 15.6341 15.6341 k = 0.2292 0.1323 0.5979 ( 3252 PWs) bands (ev): -87.8292 -87.8292 -87.8170 -87.8170 -50.4078 -50.4078 -24.7739 -24.7739 -17.1732 -17.1732 -17.0064 -17.0064 6.5946 6.5946 6.8738 6.8738 9.7860 9.7860 9.8853 9.8853 10.9823 10.9823 13.3303 13.3303 15.1578 15.1578 15.7926 15.7926 k = 0.2396 0.1383 0.5979 ( 3248 PWs) bands (ev): -87.8291 -87.8291 -87.8172 -87.8172 -50.4077 -50.4077 -24.7745 -24.7745 -17.1737 -17.1737 -17.0090 -17.0090 6.5934 6.5934 6.9520 6.9520 9.7246 9.7246 9.8225 9.8225 10.9060 10.9060 13.4036 13.4036 15.2692 15.2692 15.9525 15.9525 k = 0.2500 0.1443 0.5979 ( 3256 PWs) bands (ev): -87.8289 -87.8289 -87.8173 -87.8173 -50.4076 -50.4076 -24.7752 -24.7752 -17.1743 -17.1743 -17.0116 -17.0116 6.5905 6.5905 7.0342 7.0342 9.6650 9.6650 9.7617 9.7617 10.8320 10.8320 13.4794 13.4794 15.3806 15.3806 16.1136 16.1136 k = 0.2604 0.1504 0.5979 ( 3254 PWs) bands (ev): -87.8288 -87.8288 -87.8175 -87.8175 -50.4075 -50.4075 -24.7758 -24.7758 -17.1749 -17.1749 -17.0143 -17.0143 6.5866 6.5866 7.1194 7.1194 9.6076 9.6076 9.7027 9.7027 10.7605 10.7605 13.5577 13.5577 15.4918 15.4918 16.2757 16.2757 k = 0.2708 0.1564 0.5979 ( 3254 PWs) bands (ev): -87.8286 -87.8286 -87.8176 -87.8176 -50.4074 -50.4074 -24.7764 -24.7764 -17.1755 -17.1755 -17.0169 -17.0169 6.5822 6.5822 7.2069 7.2069 9.5522 9.5522 9.6458 9.6458 10.6916 10.6916 13.6382 13.6382 15.6026 15.6026 16.4382 16.4382 k = 0.2812 0.1624 0.5979 ( 3266 PWs) bands (ev): -87.8285 -87.8285 -87.8178 -87.8178 -50.4073 -50.4073 -24.7771 -24.7771 -17.1762 -17.1762 -17.0194 -17.0194 6.5774 6.5774 7.2963 7.2963 9.4990 9.4990 9.5909 9.5909 10.6255 10.6255 13.7208 13.7208 15.7128 15.7128 16.6006 16.6006 k = 0.2917 0.1684 0.5979 ( 3274 PWs) bands (ev): -87.8283 -87.8283 -87.8180 -87.8180 -50.4072 -50.4072 -24.7777 -24.7777 -17.1768 -17.1768 -17.0219 -17.0219 6.5724 6.5724 7.3871 7.3871 9.4481 9.4481 9.5382 9.5382 10.5623 10.5623 13.8052 13.8052 15.8222 15.8222 16.7621 16.7621 k = 0.3021 0.1744 0.5979 ( 3270 PWs) bands (ev): -87.8281 -87.8281 -87.8181 -87.8181 -50.4071 -50.4071 -24.7783 -24.7783 -17.1775 -17.1775 -17.0243 -17.0243 6.5674 6.5674 7.4790 7.4790 9.3994 9.3994 9.4876 9.4876 10.5021 10.5021 13.8913 13.8913 15.9307 15.9307 16.9204 16.9204 k = 0.3125 0.1804 0.5979 ( 3276 PWs) bands (ev): -87.8280 -87.8280 -87.8183 -87.8183 -50.4070 -50.4070 -24.7789 -24.7789 -17.1781 -17.1781 -17.0267 -17.0267 6.5623 6.5623 7.5715 7.5715 9.3531 9.3531 9.4393 9.4393 10.4450 10.4450 13.9787 13.9787 16.0379 16.0379 17.0645 17.0645 k = 0.3229 0.1864 0.5979 ( 3268 PWs) bands (ev): -87.8278 -87.8278 -87.8185 -87.8185 -50.4069 -50.4069 -24.7795 -24.7795 -17.1788 -17.1788 -17.0289 -17.0289 6.5572 6.5572 7.6643 7.6643 9.3091 9.3091 9.3933 9.3933 10.3911 10.3911 14.0671 14.0671 16.1438 16.1438 17.1031 17.1031 k = 0.3333 0.1925 0.5979 ( 3264 PWs) bands (ev): -87.8276 -87.8276 -87.8186 -87.8186 -50.4068 -50.4068 -24.7800 -24.7800 -17.1794 -17.1794 -17.0311 -17.0311 6.5522 6.5522 7.7567 7.7567 9.2676 9.2676 9.3496 9.3496 10.3406 10.3406 14.1562 14.1562 16.2479 16.2479 16.9997 16.9997 k = 0.3438 0.1985 0.5979 ( 3264 PWs) bands (ev): -87.8275 -87.8275 -87.8188 -87.8188 -50.4067 -50.4067 -24.7806 -24.7806 -17.1801 -17.1801 -17.0332 -17.0332 6.5473 6.5473 7.8483 7.8483 9.2284 9.2284 9.3082 9.3082 10.2935 10.2935 14.2456 14.2456 16.3501 16.3501 16.8700 16.8700 k = 0.3542 0.2045 0.5979 ( 3256 PWs) bands (ev): -87.8273 -87.8273 -87.8190 -87.8190 -50.4066 -50.4066 -24.7811 -24.7811 -17.1807 -17.1807 -17.0351 -17.0351 6.5426 6.5426 7.9387 7.9387 9.1917 9.1917 9.2691 9.2691 10.2498 10.2498 14.3347 14.3347 16.4498 16.4498 16.7340 16.7340 k = 0.3646 0.2105 0.5979 ( 3256 PWs) bands (ev): -87.8271 -87.8271 -87.8191 -87.8191 -50.4065 -50.4065 -24.7816 -24.7816 -17.1813 -17.1813 -17.0370 -17.0370 6.5381 6.5381 8.0271 8.0271 9.1575 9.1575 9.2323 9.2323 10.2097 10.2097 14.4232 14.4232 16.5450 16.5450 16.5984 16.5984 k = 0.3750 0.2165 0.5979 ( 3256 PWs) bands (ev): -87.8270 -87.8270 -87.8193 -87.8193 -50.4064 -50.4064 -24.7820 -24.7820 -17.1819 -17.1819 -17.0387 -17.0387 6.5338 6.5338 8.1131 8.1131 9.1258 9.1258 9.1978 9.1978 10.1732 10.1732 14.5103 14.5103 16.4588 16.4588 16.6425 16.6425 k = 0.3854 0.2225 0.5979 ( 3256 PWs) bands (ev): -87.8268 -87.8268 -87.8195 -87.8195 -50.4063 -50.4063 -24.7825 -24.7825 -17.1825 -17.1825 -17.0403 -17.0403 6.5297 6.5297 8.1959 8.1959 9.0965 9.0965 9.1656 9.1656 10.1404 10.1404 14.5953 14.5953 16.3267 16.3267 16.7328 16.7328 k = 0.3958 0.2285 0.5979 ( 3260 PWs) bands (ev): -87.8266 -87.8266 -87.8196 -87.8196 -50.4063 -50.4063 -24.7829 -24.7829 -17.1830 -17.1830 -17.0418 -17.0418 6.5259 6.5259 8.2750 8.2750 9.0698 9.0698 9.1356 9.1356 10.1113 10.1113 14.6774 14.6774 16.2000 16.2000 16.8192 16.8192 k = 0.4062 0.2345 0.5979 ( 3260 PWs) bands (ev): -87.8265 -87.8265 -87.8198 -87.8198 -50.4062 -50.4062 -24.7833 -24.7833 -17.1835 -17.1835 -17.0432 -17.0432 6.5223 6.5223 8.3496 8.3496 9.0457 9.0457 9.1079 9.1079 10.0857 10.0857 14.7556 14.7556 16.0807 16.0807 16.9009 16.9009 k = 0.4167 0.2406 0.5979 ( 3268 PWs) bands (ev): -87.8264 -87.8264 -87.8199 -87.8199 -50.4062 -50.4062 -24.7836 -24.7836 -17.1840 -17.1840 -17.0444 -17.0444 6.5191 6.5191 8.4192 8.4192 9.0241 9.0241 9.0822 9.0822 10.0637 10.0637 14.8289 14.8289 15.9705 15.9705 16.9772 16.9772 k = 0.4271 0.2466 0.5979 ( 3268 PWs) bands (ev): -87.8262 -87.8262 -87.8201 -87.8201 -50.4061 -50.4061 -24.7839 -24.7839 -17.1844 -17.1844 -17.0455 -17.0455 6.5163 6.5163 8.4832 8.4832 9.0052 9.0052 9.0586 9.0586 10.0452 10.0452 14.8959 14.8959 15.8712 15.8712 17.0473 17.0473 k = 0.4375 0.2526 0.5979 ( 3272 PWs) bands (ev): -87.8261 -87.8261 -87.8202 -87.8202 -50.4061 -50.4061 -24.7842 -24.7842 -17.1848 -17.1848 -17.0464 -17.0464 6.5137 6.5137 8.5409 8.5409 8.9888 8.9888 9.0371 9.0371 10.0300 10.0300 14.9555 14.9555 15.7841 15.7841 17.1104 17.1104 k = 0.4479 0.2586 0.5979 ( 3286 PWs) bands (ev): -87.8260 -87.8260 -87.8203 -87.8203 -50.4061 -50.4061 -24.7844 -24.7844 -17.1851 -17.1851 -17.0472 -17.0472 6.5116 6.5116 8.5917 8.5917 8.9752 8.9752 9.0175 9.0175 10.0178 10.0178 15.0061 15.0061 15.7107 15.7107 17.1656 17.1656 k = 0.4583 0.2646 0.5979 ( 3282 PWs) bands (ev): -87.8259 -87.8259 -87.8204 -87.8204 -50.4060 -50.4060 -24.7846 -24.7846 -17.1854 -17.1854 -17.0479 -17.0479 6.5098 6.5098 8.6352 8.6352 8.9643 8.9643 8.9999 8.9999 10.0084 10.0084 15.0467 15.0467 15.6520 15.6520 17.2120 17.2120 k = 0.4688 0.2706 0.5979 ( 3278 PWs) bands (ev): -87.8258 -87.8258 -87.8204 -87.8204 -50.4060 -50.4060 -24.7847 -24.7847 -17.1856 -17.1856 -17.0484 -17.0484 6.5084 6.5084 8.6705 8.6705 8.9563 8.9563 8.9846 8.9846 10.0015 10.0015 15.0769 15.0769 15.6081 15.6081 17.2491 17.2491 k = 0.4792 0.2766 0.5979 ( 3286 PWs) bands (ev): -87.8258 -87.8258 -87.8205 -87.8205 -50.4060 -50.4060 -24.7849 -24.7849 -17.1857 -17.1857 -17.0487 -17.0487 6.5073 6.5073 8.6970 8.6970 8.9513 8.9513 8.9719 8.9719 9.9968 9.9968 15.0969 15.0969 15.5786 15.5786 17.2760 17.2760 k = 0.4896 0.2827 0.5979 ( 3286 PWs) bands (ev): -87.8258 -87.8258 -87.8205 -87.8205 -50.4060 -50.4060 -24.7849 -24.7849 -17.1858 -17.1858 -17.0490 -17.0490 6.5067 6.5067 8.7135 8.7135 8.9492 8.9492 8.9628 8.9628 9.9941 9.9941 15.1079 15.1079 15.5619 15.5619 17.2924 17.2924 k = 0.5000 0.2887 0.5979 ( 3280 PWs) bands (ev): -87.8257 -87.8257 -87.8205 -87.8205 -50.4060 -50.4060 -24.7849 -24.7849 -17.1859 -17.1859 -17.0490 -17.0490 6.5065 6.5065 8.7191 8.7191 8.9491 8.9491 8.9591 8.9591 9.9932 9.9932 15.1114 15.1114 15.5566 15.5566 17.2978 17.2978 k = 0.5000 0.2887 0.5979 ( 3280 PWs) bands (ev): -87.8257 -87.8257 -87.8205 -87.8205 -50.4060 -50.4060 -24.7849 -24.7849 -17.1859 -17.1859 -17.0490 -17.0490 6.5065 6.5065 8.7191 8.7191 8.9491 8.9491 8.9591 8.9591 9.9932 9.9932 15.1114 15.1114 15.5566 15.5566 17.2978 17.2978 k = 0.4940 0.2990 0.5979 ( 3280 PWs) bands (ev): -87.8257 -87.8257 -87.8205 -87.8205 -50.4060 -50.4060 -24.7849 -24.7849 -17.1858 -17.1858 -17.0491 -17.0491 6.5074 6.5074 8.7207 8.7207 8.8878 8.8878 9.0192 9.0192 9.9930 9.9930 15.1132 15.1132 15.5531 15.5531 17.2981 17.2981 k = 0.4881 0.3093 0.5979 ( 3288 PWs) bands (ev): -87.8257 -87.8257 -87.8206 -87.8206 -50.4060 -50.4060 -24.7850 -24.7850 -17.1858 -17.1858 -17.0493 -17.0493 6.5098 6.5098 8.7247 8.7247 8.8218 8.8218 9.0824 9.0824 9.9923 9.9923 15.1186 15.1186 15.5430 15.5430 17.2990 17.2990 k = 0.4821 0.3196 0.5979 ( 3282 PWs) bands (ev): -87.8257 -87.8257 -87.8206 -87.8206 -50.4060 -50.4060 -24.7850 -24.7850 -17.1857 -17.1857 -17.0495 -17.0495 6.5139 6.5139 8.7211 8.7211 8.7662 8.7662 9.1436 9.1436 9.9913 9.9913 15.1268 15.1268 15.5268 15.5268 17.3006 17.3006 k = 0.4762 0.3299 0.5979 ( 3278 PWs) bands (ev): -87.8257 -87.8257 -87.8206 -87.8206 -50.4059 -50.4059 -24.7850 -24.7850 -17.1856 -17.1856 -17.0499 -17.0499 6.5197 6.5197 8.6706 8.6706 8.7606 8.7606 9.2024 9.2024 9.9900 9.9900 15.1368 15.1368 15.5059 15.5059 17.3032 17.3032 k = 0.4702 0.3402 0.5979 ( 3286 PWs) bands (ev): -87.8256 -87.8256 -87.8206 -87.8206 -50.4059 -50.4059 -24.7851 -24.7851 -17.1854 -17.1854 -17.0504 -17.0504 6.5271 6.5271 8.6025 8.6025 8.7757 8.7757 9.2584 9.2584 9.9887 9.9887 15.1465 15.1465 15.4826 15.4826 17.3069 17.3069 k = 0.4643 0.3505 0.5979 ( 3278 PWs) bands (ev): -87.8256 -87.8256 -87.8207 -87.8207 -50.4059 -50.4059 -24.7852 -24.7852 -17.1852 -17.1852 -17.0509 -17.0509 6.5362 6.5362 8.5320 8.5320 8.7965 8.7965 9.3114 9.3114 9.9875 9.9875 15.1521 15.1521 15.4610 15.4610 17.3123 17.3123 k = 0.4583 0.3608 0.5979 ( 3274 PWs) bands (ev): -87.8256 -87.8256 -87.8207 -87.8207 -50.4059 -50.4059 -24.7852 -24.7852 -17.1850 -17.1850 -17.0516 -17.0516 6.5469 6.5469 8.4608 8.4608 8.8214 8.8214 9.3610 9.3610 9.9867 9.9867 15.1478 15.1478 15.4470 15.4470 17.3195 17.3195 k = 0.4524 0.3712 0.5979 ( 3274 PWs) bands (ev): -87.8255 -87.8255 -87.8208 -87.8208 -50.4059 -50.4059 -24.7853 -24.7853 -17.1847 -17.1847 -17.0523 -17.0523 6.5592 6.5592 8.3892 8.3892 8.8500 8.8500 9.4069 9.4069 9.9866 9.9866 15.1279 15.1279 15.4469 15.4469 17.3290 17.3290 k = 0.4464 0.3815 0.5979 ( 3270 PWs) bands (ev): -87.8254 -87.8254 -87.8208 -87.8208 -50.4059 -50.4059 -24.7854 -24.7854 -17.1844 -17.1844 -17.0531 -17.0531 6.5732 6.5732 8.3177 8.3177 8.8818 8.8818 9.4488 9.4488 9.9875 9.9875 15.0903 15.0903 15.4631 15.4631 17.3411 17.3411 k = 0.4405 0.3918 0.5979 ( 3270 PWs) bands (ev): -87.8254 -87.8254 -87.8209 -87.8209 -50.4058 -50.4058 -24.7855 -24.7855 -17.1841 -17.1841 -17.0540 -17.0540 6.5888 6.5888 8.2464 8.2464 8.9167 8.9167 9.4864 9.4864 9.9898 9.9898 15.0375 15.0375 15.4937 15.4937 17.3561 17.3561 k = 0.4345 0.4021 0.5979 ( 3270 PWs) bands (ev): -87.8253 -87.8253 -87.8210 -87.8210 -50.4058 -50.4058 -24.7856 -24.7856 -17.1838 -17.1838 -17.0549 -17.0549 6.6061 6.6061 8.1755 8.1755 8.9542 8.9542 9.5195 9.5195 9.9936 9.9936 14.9733 14.9733 15.5355 15.5355 17.3742 17.3742 k = 0.4286 0.4124 0.5979 ( 3266 PWs) bands (ev): -87.8252 -87.8252 -87.8211 -87.8211 -50.4058 -50.4058 -24.7858 -24.7858 -17.1835 -17.1835 -17.0559 -17.0559 6.6250 6.6250 8.1052 8.1052 8.9940 8.9940 9.5481 9.5481 9.9991 9.9991 14.9008 14.9008 15.5858 15.5858 17.3958 17.3958 k = 0.4226 0.4227 0.5979 ( 3274 PWs) bands (ev): -87.8251 -87.8251 -87.8211 -87.8211 -50.4058 -50.4058 -24.7859 -24.7859 -17.1832 -17.1832 -17.0569 -17.0569 6.6456 6.6456 8.0356 8.0356 9.0356 9.0356 9.5724 9.5724 10.0065 10.0065 14.8225 14.8225 15.6430 15.6430 17.4208 17.4208 k = 0.4167 0.4330 0.5979 ( 3282 PWs) bands (ev): -87.8250 -87.8250 -87.8212 -87.8212 -50.4058 -50.4058 -24.7860 -24.7860 -17.1829 -17.1829 -17.0579 -17.0579 6.6678 6.6678 7.9669 7.9669 9.0784 9.0784 9.5927 9.5927 10.0156 10.0156 14.7400 14.7400 15.7059 15.7059 17.4493 17.4493 k = 0.4107 0.4433 0.5979 ( 3278 PWs) bands (ev): -87.8249 -87.8249 -87.8213 -87.8213 -50.4057 -50.4057 -24.7862 -24.7862 -17.1825 -17.1825 -17.0589 -17.0589 6.6916 6.6916 7.8992 7.8992 9.1219 9.1219 9.6097 9.6097 10.0260 10.0260 14.6548 14.6548 15.7740 15.7740 17.4813 17.4813 k = 0.4048 0.4536 0.5979 ( 3282 PWs) bands (ev): -87.8248 -87.8248 -87.8214 -87.8214 -50.4057 -50.4057 -24.7863 -24.7863 -17.1822 -17.1822 -17.0600 -17.0600 6.7171 6.7171 7.8325 7.8325 9.1653 9.1653 9.6241 9.6241 10.0376 10.0376 14.5681 14.5681 15.8465 15.8465 17.5164 17.5164 k = 0.3988 0.4639 0.5979 ( 3282 PWs) bands (ev): -87.8247 -87.8247 -87.8216 -87.8216 -50.4057 -50.4057 -24.7864 -24.7864 -17.1819 -17.1819 -17.0610 -17.0610 6.7442 6.7442 7.7671 7.7671 9.2076 9.2076 9.6369 9.6369 10.0497 10.0497 14.4813 14.4813 15.9233 15.9233 17.5537 17.5537 k = 0.3929 0.4743 0.5979 ( 3286 PWs) bands (ev): -87.8246 -87.8246 -87.8217 -87.8217 -50.4057 -50.4057 -24.7866 -24.7866 -17.1816 -17.1816 -17.0620 -17.0620 6.7729 6.7729 7.7031 7.7031 9.2480 9.2480 9.6488 9.6488 10.0622 10.0622 14.3955 14.3955 16.0038 16.0038 17.5917 17.5917 k = 0.3869 0.4846 0.5979 ( 3282 PWs) bands (ev): -87.8245 -87.8245 -87.8218 -87.8218 -50.4057 -50.4057 -24.7867 -24.7867 -17.1813 -17.1813 -17.0629 -17.0629 6.8033 6.8033 7.6404 7.6404 9.2855 9.2855 9.6609 9.6609 10.0745 10.0745 14.3118 14.3118 16.0878 16.0878 17.6260 17.6260 k = 0.3810 0.4949 0.5979 ( 3278 PWs) bands (ev): -87.8244 -87.8244 -87.8219 -87.8219 -50.4056 -50.4056 -24.7868 -24.7868 -17.1810 -17.1810 -17.0638 -17.0638 6.8353 6.8353 7.5793 7.5793 9.3190 9.3190 9.6738 9.6738 10.0863 10.0863 14.2316 14.2316 16.1751 16.1751 17.6456 17.6456 k = 0.3750 0.5052 0.5979 ( 3278 PWs) bands (ev): -87.8242 -87.8242 -87.8221 -87.8221 -50.4056 -50.4056 -24.7869 -24.7869 -17.1808 -17.1808 -17.0646 -17.0646 6.8689 6.8689 7.5198 7.5198 9.3478 9.3478 9.6879 9.6879 10.0976 10.0976 14.1561 14.1561 16.2654 16.2654 17.6301 17.6301 k = 0.3690 0.5155 0.5979 ( 3278 PWs) bands (ev): -87.8241 -87.8241 -87.8222 -87.8222 -50.4056 -50.4056 -24.7870 -24.7870 -17.1805 -17.1805 -17.0653 -17.0653 6.9041 6.9041 7.4620 7.4620 9.3716 9.3716 9.7030 9.7030 10.1081 10.1081 14.0866 14.0866 16.3584 16.3584 17.5741 17.5741 k = 0.3631 0.5258 0.5979 ( 3284 PWs) bands (ev): -87.8239 -87.8239 -87.8223 -87.8223 -50.4056 -50.4056 -24.7871 -24.7871 -17.1804 -17.1804 -17.0660 -17.0660 6.9408 6.9408 7.4060 7.4060 9.3903 9.3903 9.7185 9.7185 10.1175 10.1175 14.0243 14.0243 16.4536 16.4536 17.4950 17.4950 k = 0.3571 0.5361 0.5979 ( 3288 PWs) bands (ev): -87.8238 -87.8238 -87.8225 -87.8225 -50.4056 -50.4056 -24.7872 -24.7872 -17.1802 -17.1802 -17.0665 -17.0665 6.9791 6.9791 7.3518 7.3518 9.4044 9.4044 9.7335 9.7335 10.1259 10.1259 13.9707 13.9707 16.5507 16.5507 17.4056 17.4056 k = 0.3512 0.5464 0.5979 ( 3280 PWs) bands (ev): -87.8236 -87.8236 -87.8227 -87.8227 -50.4056 -50.4056 -24.7872 -24.7872 -17.1801 -17.1801 -17.0669 -17.0669 7.0188 7.0188 7.2997 7.2997 9.4145 9.4145 9.7466 9.7466 10.1329 10.1329 13.9270 13.9270 16.6488 16.6488 17.3116 17.3116 k = 0.3452 0.5567 0.5979 ( 3280 PWs) bands (ev): -87.8235 -87.8235 -87.8228 -87.8228 -50.4056 -50.4056 -24.7873 -24.7873 -17.1800 -17.1800 -17.0673 -17.0673 7.0597 7.0597 7.2499 7.2499 9.4213 9.4213 9.7569 9.7569 10.1382 10.1382 13.8944 13.8944 16.7459 16.7459 17.2168 17.2168 k = 0.3393 0.5670 0.5979 ( 3274 PWs) bands (ev): -87.8233 -87.8233 -87.8230 -87.8230 -50.4055 -50.4055 -24.7873 -24.7873 -17.1800 -17.1800 -17.0674 -17.0674 7.1004 7.1004 7.2038 7.2038 9.4251 9.4251 9.7634 9.7634 10.1417 10.1417 13.8742 13.8742 16.8347 16.8347 17.1290 17.1290 k = 0.3333 0.5774 0.5979 ( 3282 PWs) bands (ev): -87.8231 -87.8231 -87.8231 -87.8231 -50.4056 -50.4056 -24.7873 -24.7873 -17.1800 -17.1800 -17.0675 -17.0675 7.1275 7.1275 7.1749 7.1749 9.4264 9.4264 9.7656 9.7656 10.1429 10.1429 13.8673 13.8673 16.8816 16.8816 17.0824 17.0824 k = 0.3333 0.5774 0.5979 ( 3282 PWs) bands (ev): -87.8231 -87.8231 -87.8231 -87.8231 -50.4056 -50.4056 -24.7873 -24.7873 -17.1800 -17.1800 -17.0675 -17.0675 7.1275 7.1275 7.1749 7.1749 9.4264 9.4264 9.7656 9.7656 10.1429 10.1429 13.8673 13.8673 16.8816 16.8816 17.0824 17.0824 k = 0.3274 0.5670 0.5979 ( 3274 PWs) bands (ev): -87.8233 -87.8233 -87.8230 -87.8230 -50.4055 -50.4055 -24.7873 -24.7873 -17.1800 -17.1800 -17.0674 -17.0674 7.1006 7.1006 7.2037 7.2037 9.4251 9.4251 9.7634 9.7634 10.1416 10.1416 13.8744 13.8744 16.8333 16.8333 17.1304 17.1304 k = 0.3214 0.5567 0.5979 ( 3280 PWs) bands (ev): -87.8235 -87.8235 -87.8228 -87.8228 -50.4056 -50.4056 -24.7873 -24.7873 -17.1800 -17.1800 -17.0672 -17.0672 7.0605 7.0605 7.2492 7.2492 9.4207 9.4207 9.7572 9.7572 10.1379 10.1379 13.8962 13.8962 16.7389 16.7389 17.2238 17.2238 k = 0.3155 0.5464 0.5979 ( 3270 PWs) bands (ev): -87.8237 -87.8237 -87.8226 -87.8226 -50.4056 -50.4056 -24.7872 -24.7872 -17.1801 -17.1801 -17.0669 -17.0669 7.0206 7.0206 7.2981 7.2981 9.4124 9.4124 9.7477 9.7477 10.1319 10.1319 13.9327 13.9327 16.6325 16.6325 17.3284 17.3284 k = 0.3095 0.5361 0.5979 ( 3266 PWs) bands (ev): -87.8238 -87.8238 -87.8224 -87.8224 -50.4056 -50.4056 -24.7871 -24.7871 -17.1801 -17.1801 -17.0664 -17.0664 6.9823 6.9823 7.3491 7.3491 9.3989 9.3989 9.7362 9.7362 10.1239 10.1239 13.9840 13.9840 16.5212 16.5212 17.4364 17.4364 k = 0.3036 0.5258 0.5979 ( 3266 PWs) bands (ev): -87.8240 -87.8240 -87.8223 -87.8223 -50.4056 -50.4056 -24.7870 -24.7870 -17.1802 -17.1802 -17.0658 -17.0658 6.9458 6.9458 7.4018 7.4018 9.3787 9.3787 9.7245 9.7245 10.1145 10.1145 14.0499 14.0499 16.4071 16.4071 17.5439 17.5439 k = 0.2976 0.5155 0.5979 ( 3266 PWs) bands (ev): -87.8242 -87.8242 -87.8221 -87.8221 -50.4056 -50.4056 -24.7869 -24.7869 -17.1803 -17.1803 -17.0651 -17.0651 6.9113 6.9113 7.4563 7.4563 9.3499 9.3499 9.7144 9.7144 10.1041 10.1041 14.1297 14.1297 16.2912 16.2912 17.6401 17.6401 k = 0.2917 0.5052 0.5979 ( 3270 PWs) bands (ev): -87.8244 -87.8244 -87.8219 -87.8219 -50.4056 -50.4056 -24.7867 -24.7867 -17.1804 -17.1804 -17.0642 -17.0642 6.8788 6.8788 7.5123 7.5123 9.3114 9.3114 9.7077 9.7077 10.0935 10.0935 14.2228 14.2228 16.1739 16.1739 17.6649 17.6649 k = 0.2857 0.4949 0.5979 ( 3270 PWs) bands (ev): -87.8246 -87.8246 -87.8217 -87.8217 -50.4057 -50.4057 -24.7865 -24.7865 -17.1805 -17.1805 -17.0632 -17.0632 6.8483 6.8483 7.5700 7.5700 9.2626 9.2626 9.7052 9.7052 10.0831 10.0831 14.3285 14.3285 16.0557 16.0557 17.5997 17.5997 k = 0.2798 0.4846 0.5979 ( 3270 PWs) bands (ev): -87.8248 -87.8248 -87.8215 -87.8215 -50.4057 -50.4057 -24.7863 -24.7863 -17.1805 -17.1805 -17.0621 -17.0621 6.8197 6.8197 7.6292 7.6292 9.2039 9.2039 9.7071 9.7071 10.0734 10.0734 14.4458 14.4458 15.9370 15.9370 17.5144 17.5144 k = 0.2738 0.4743 0.5979 ( 3270 PWs) bands (ev): -87.8250 -87.8250 -87.8213 -87.8213 -50.4057 -50.4057 -24.7861 -24.7861 -17.1806 -17.1806 -17.0608 -17.0608 6.7931 6.7931 7.6900 7.6900 9.1363 9.1363 9.7132 9.7132 10.0648 10.0648 14.5738 14.5738 15.8179 15.8179 17.4240 17.4240 k = 0.2679 0.4639 0.5979 ( 3266 PWs) bands (ev): -87.8252 -87.8252 -87.8211 -87.8211 -50.4058 -50.4058 -24.7858 -24.7858 -17.1806 -17.1806 -17.0595 -17.0595 6.7685 6.7685 7.7522 7.7522 9.0608 9.0608 9.7228 9.7228 10.0579 10.0579 14.7114 14.7114 15.6989 15.6989 17.3313 17.3313 k = 0.2619 0.4536 0.5979 ( 3266 PWs) bands (ev): -87.8253 -87.8253 -87.8209 -87.8209 -50.4058 -50.4058 -24.7855 -24.7855 -17.1806 -17.1806 -17.0580 -17.0580 6.7458 6.7458 7.8161 7.8161 8.9788 8.9788 9.7353 9.7353 10.0530 10.0530 14.8575 14.8575 15.5806 15.5806 17.2372 17.2372 k = 0.2560 0.4433 0.5979 ( 3262 PWs) bands (ev): -87.8255 -87.8255 -87.8207 -87.8207 -50.4059 -50.4059 -24.7852 -24.7852 -17.1805 -17.1805 -17.0564 -17.0564 6.7250 6.7250 7.8813 7.8813 8.8913 8.8913 9.7499 9.7499 10.0507 10.0507 15.0101 15.0101 15.4640 15.4640 17.1422 17.1422 k = 0.2500 0.4330 0.5979 ( 3262 PWs) bands (ev): -87.8257 -87.8257 -87.8205 -87.8205 -50.4059 -50.4059 -24.7849 -24.7849 -17.1805 -17.1805 -17.0547 -17.0547 6.7061 6.7061 7.9481 7.9481 8.7994 8.7994 9.7661 9.7661 10.0515 10.0515 15.1617 15.1617 15.3560 15.3560 17.0464 17.0464 k = 0.2440 0.4227 0.5979 ( 3262 PWs) bands (ev): -87.8259 -87.8259 -87.8203 -87.8203 -50.4060 -50.4060 -24.7845 -24.7845 -17.1804 -17.1804 -17.0529 -17.0529 6.6889 6.6889 8.0162 8.0162 8.7040 8.7040 9.7829 9.7829 10.0561 10.0561 15.1991 15.1991 15.3691 15.3691 16.9501 16.9501 k = 0.2381 0.4124 0.5979 ( 3254 PWs) bands (ev): -87.8261 -87.8261 -87.8201 -87.8201 -50.4061 -50.4061 -24.7841 -24.7841 -17.1802 -17.1802 -17.0510 -17.0510 6.6735 6.6735 8.0856 8.0856 8.6059 8.6059 9.7998 9.7998 10.0651 10.0651 15.0958 15.0958 15.5290 15.5290 16.8535 16.8535 k = 0.2321 0.4021 0.5979 ( 3250 PWs) bands (ev): -87.8263 -87.8263 -87.8199 -87.8199 -50.4061 -50.4061 -24.7836 -24.7836 -17.1800 -17.1800 -17.0490 -17.0490 6.6598 6.6598 8.1560 8.1560 8.5061 8.5061 9.8161 9.8161 10.0792 10.0792 14.9829 14.9829 15.7036 15.7036 16.7567 16.7567 k = 0.2262 0.3918 0.5979 ( 3258 PWs) bands (ev): -87.8265 -87.8265 -87.8198 -87.8198 -50.4062 -50.4062 -24.7832 -24.7832 -17.1798 -17.1798 -17.0470 -17.0470 6.6477 6.6477 8.2262 8.2262 8.4065 8.4065 9.8314 9.8314 10.0988 10.0988 14.8695 14.8695 15.8824 15.8824 16.6602 16.6602 k = 0.2202 0.3815 0.5979 ( 3250 PWs) bands (ev): -87.8267 -87.8267 -87.8196 -87.8196 -50.4063 -50.4063 -24.7827 -24.7827 -17.1795 -17.1795 -17.0448 -17.0448 6.6372 6.6372 8.2716 8.2716 8.3320 8.3320 9.8455 9.8455 10.1242 10.1242 14.7571 14.7571 16.0619 16.0619 16.5652 16.5652 k = 0.2143 0.3712 0.5979 ( 3246 PWs) bands (ev): -87.8269 -87.8269 -87.8194 -87.8194 -50.4064 -50.4064 -24.7822 -24.7822 -17.1792 -17.1792 -17.0426 -17.0426 6.6282 6.6282 8.1896 8.1896 8.3856 8.3856 9.8586 9.8586 10.1551 10.1551 14.6461 14.6461 16.2336 16.2336 16.4786 16.4786 k = 0.2083 0.3608 0.5979 ( 3250 PWs) bands (ev): -87.8271 -87.8271 -87.8192 -87.8192 -50.4065 -50.4065 -24.7817 -24.7817 -17.1789 -17.1789 -17.0403 -17.0403 6.6206 6.6206 8.0879 8.0879 8.4601 8.4601 9.8711 9.8711 10.1913 10.1913 14.5367 14.5367 16.3160 16.3160 16.4800 16.4800 k = 0.2024 0.3505 0.5979 ( 3254 PWs) bands (ev): -87.8273 -87.8273 -87.8190 -87.8190 -50.4066 -50.4066 -24.7812 -24.7812 -17.1785 -17.1785 -17.0379 -17.0379 6.6143 6.6143 7.9849 7.9849 8.5374 8.5374 9.8835 9.8835 10.2323 10.2323 14.4292 14.4292 16.2437 16.2437 16.6331 16.6331 k = 0.1964 0.3402 0.5979 ( 3258 PWs) bands (ev): -87.8274 -87.8274 -87.8188 -87.8188 -50.4067 -50.4067 -24.7806 -24.7806 -17.1782 -17.1782 -17.0354 -17.0354 6.6092 6.6092 7.8821 7.8821 8.6164 8.6164 9.8962 9.8962 10.2777 10.2777 14.3237 14.3237 16.1493 16.1493 16.8028 16.8028 k = 0.1905 0.3299 0.5979 ( 3258 PWs) bands (ev): -87.8276 -87.8276 -87.8186 -87.8186 -50.4068 -50.4068 -24.7800 -24.7800 -17.1777 -17.1777 -17.0329 -17.0329 6.6053 6.6053 7.7799 7.7799 8.6967 8.6967 9.9098 9.9098 10.3272 10.3272 14.2204 14.2204 16.0513 16.0513 16.9681 16.9681 k = 0.1845 0.3196 0.5979 ( 3262 PWs) bands (ev): -87.8278 -87.8278 -87.8185 -87.8185 -50.4069 -50.4069 -24.7795 -24.7795 -17.1773 -17.1773 -17.0304 -17.0304 6.6025 6.6025 7.6788 7.6788 8.7784 8.7784 9.9246 9.9246 10.3803 10.3803 14.1195 14.1195 15.9520 15.9520 17.1234 17.1234 k = 0.1786 0.3093 0.5979 ( 3258 PWs) bands (ev): -87.8280 -87.8280 -87.8183 -87.8183 -50.4070 -50.4070 -24.7788 -24.7788 -17.1768 -17.1768 -17.0278 -17.0278 6.6006 6.6006 7.5791 7.5791 8.8612 8.8612 9.9409 9.9409 10.4369 10.4369 14.0209 14.0209 15.8519 15.8519 17.2141 17.2141 k = 0.1726 0.2990 0.5979 ( 3258 PWs) bands (ev): -87.8282 -87.8282 -87.8181 -87.8181 -50.4071 -50.4071 -24.7782 -24.7782 -17.1764 -17.1764 -17.0251 -17.0251 6.5996 6.5996 7.4809 7.4809 8.9452 8.9452 9.9590 9.9590 10.4967 10.4967 13.9250 13.9250 15.7514 15.7514 17.0472 17.0472 k = 0.1667 0.2887 0.5979 ( 3250 PWs) bands (ev): -87.8283 -87.8283 -87.8179 -87.8179 -50.4072 -50.4072 -24.7776 -24.7776 -17.1759 -17.1759 -17.0225 -17.0225 6.5993 6.5993 7.3846 7.3846 9.0302 9.0302 9.9790 9.9790 10.5595 10.5595 13.8316 13.8316 15.6505 15.6505 16.8713 16.8713 k = 0.1607 0.2784 0.5979 ( 3254 PWs) bands (ev): -87.8285 -87.8285 -87.8178 -87.8178 -50.4073 -50.4073 -24.7770 -24.7770 -17.1754 -17.1754 -17.0198 -17.0198 6.5996 6.5996 7.2904 7.2904 9.1163 9.1163 10.0012 10.0012 10.6252 10.6252 13.7411 13.7411 15.5492 15.5492 16.6959 16.6959 k = 0.1548 0.2681 0.5979 ( 3258 PWs) bands (ev): -87.8287 -87.8287 -87.8176 -87.8176 -50.4074 -50.4074 -24.7763 -24.7763 -17.1749 -17.1749 -17.0170 -17.0170 6.6002 6.6002 7.1986 7.1986 9.2032 9.2032 10.0257 10.0257 10.6935 10.6935 13.6533 13.6533 15.4478 15.4478 16.5216 16.5216 k = 0.1488 0.2577 0.5979 ( 3258 PWs) bands (ev): -87.8288 -87.8288 -87.8175 -87.8175 -50.4075 -50.4075 -24.7757 -24.7757 -17.1743 -17.1743 -17.0143 -17.0143 6.6011 6.6011 7.1094 7.1094 9.2910 9.2910 10.0526 10.0526 10.7644 10.7644 13.5685 13.5685 15.3462 15.3462 16.3487 16.3487 k = 0.1429 0.2474 0.5979 ( 3258 PWs) bands (ev): -87.8290 -87.8290 -87.8173 -87.8173 -50.4076 -50.4076 -24.7751 -24.7751 -17.1738 -17.1738 -17.0116 -17.0116 6.6019 6.6019 7.0233 7.0233 9.3796 9.3796 10.0820 10.0820 10.8377 10.8377 13.4867 13.4867 15.2445 15.2445 16.1774 16.1774 k = 0.1369 0.2371 0.5979 ( 3266 PWs) bands (ev): -87.8291 -87.8291 -87.8172 -87.8172 -50.4077 -50.4077 -24.7744 -24.7744 -17.1733 -17.1733 -17.0088 -17.0088 6.6021 6.6021 6.9409 6.9409 9.4688 9.4688 10.1140 10.1140 10.9132 10.9132 13.4079 13.4079 15.1428 15.1428 16.0079 16.0079 k = 0.1310 0.2268 0.5979 ( 3262 PWs) bands (ev): -87.8293 -87.8293 -87.8170 -87.8170 -50.4078 -50.4078 -24.7738 -24.7738 -17.1728 -17.1728 -17.0061 -17.0061 6.6006 6.6006 6.8631 6.8631 9.5586 9.5586 10.1485 10.1485 10.9907 10.9907 13.3323 13.3323 15.0411 15.0411 15.8404 15.8404 k = 0.1250 0.2165 0.5979 ( 3258 PWs) bands (ev): -87.8294 -87.8294 -87.8169 -87.8169 -50.4079 -50.4079 -24.7732 -24.7732 -17.1724 -17.1724 -17.0034 -17.0034 6.5953 6.5953 6.7922 6.7922 9.6488 9.6488 10.1857 10.1857 11.0702 11.0702 13.2599 13.2599 14.9395 14.9395 15.6750 15.6750 k = 0.1190 0.2062 0.5979 ( 3254 PWs) bands (ev): -87.8295 -87.8295 -87.8167 -87.8167 -50.4080 -50.4080 -24.7726 -24.7726 -17.1719 -17.1719 -17.0007 -17.0007 6.5812 6.5812 6.7333 6.7333 9.7393 9.7393 10.2255 10.2255 11.1512 11.1512 13.1908 13.1908 14.8382 14.8382 15.5120 15.5120 k = 0.1131 0.1959 0.5979 ( 3260 PWs) bands (ev): -87.8297 -87.8297 -87.8166 -87.8166 -50.4081 -50.4081 -24.7720 -24.7720 -17.1714 -17.1714 -16.9981 -16.9981 6.5506 6.5506 6.6941 6.6941 9.8300 9.8300 10.2679 10.2679 11.2338 11.2338 13.1251 13.1251 14.7373 14.7373 15.3516 15.3516 k = 0.1071 0.1856 0.5979 ( 3256 PWs) bands (ev): -87.8298 -87.8298 -87.8165 -87.8165 -50.4082 -50.4082 -24.7714 -24.7714 -17.1710 -17.1710 -16.9956 -16.9956 6.5029 6.5029 6.6754 6.6754 9.9205 9.9205 10.3128 10.3128 11.3175 11.3175 13.0627 13.0627 14.6368 14.6368 15.1940 15.1940 k = 0.1012 0.1753 0.5979 ( 3256 PWs) bands (ev): -87.8299 -87.8299 -87.8164 -87.8164 -50.4083 -50.4083 -24.7708 -24.7708 -17.1706 -17.1706 -16.9930 -16.9930 6.4466 6.4466 6.6685 6.6685 10.0108 10.0108 10.3603 10.3603 11.4021 11.4021 13.0039 13.0039 14.5371 14.5371 15.0395 15.0395 k = 0.0952 0.1650 0.5979 ( 3258 PWs) bands (ev): -87.8300 -87.8300 -87.8162 -87.8162 -50.4084 -50.4084 -24.7703 -24.7703 -17.1702 -17.1702 -16.9906 -16.9906 6.3885 6.3885 6.6667 6.6667 10.1005 10.1005 10.4100 10.4100 11.4871 11.4871 12.9486 12.9486 14.4383 14.4383 14.8882 14.8882 k = 0.0893 0.1546 0.5979 ( 3258 PWs) bands (ev): -87.8301 -87.8301 -87.8161 -87.8161 -50.4085 -50.4085 -24.7697 -24.7697 -17.1698 -17.1698 -16.9883 -16.9883 6.3314 6.3314 6.6674 6.6674 10.1894 10.1894 10.4620 10.4620 11.5723 11.5723 12.8970 12.8970 14.3405 14.3405 14.7406 14.7406 k = 0.0833 0.1443 0.5979 ( 3258 PWs) bands (ev): -87.8302 -87.8302 -87.8160 -87.8160 -50.4086 -50.4086 -24.7692 -24.7692 -17.1694 -17.1694 -16.9860 -16.9860 6.2765 6.2765 6.6692 6.6692 10.2770 10.2770 10.5161 10.5161 11.6572 11.6572 12.8492 12.8492 14.2442 14.2442 14.5970 14.5970 k = 0.0774 0.1340 0.5979 ( 3254 PWs) bands (ev): -87.8303 -87.8303 -87.8159 -87.8159 -50.4087 -50.4087 -24.7687 -24.7687 -17.1691 -17.1691 -16.9839 -16.9839 6.2245 6.2245 6.6716 6.6716 10.3631 10.3631 10.5720 10.5720 11.7410 11.7410 12.8053 12.8053 14.1496 14.1496 14.4577 14.4577 k = 0.0714 0.1237 0.5979 ( 3254 PWs) bands (ev): -87.8304 -87.8304 -87.8159 -87.8159 -50.4087 -50.4087 -24.7683 -24.7683 -17.1688 -17.1688 -16.9818 -16.9818 6.1758 6.1758 6.6742 6.6742 10.4469 10.4469 10.6295 10.6295 11.8233 11.8233 12.7656 12.7656 14.0572 14.0572 14.3232 14.3232 k = 0.0655 0.1134 0.5979 ( 3256 PWs) bands (ev): -87.8305 -87.8305 -87.8158 -87.8158 -50.4088 -50.4088 -24.7679 -24.7679 -17.1685 -17.1685 -16.9799 -16.9799 6.1305 6.1305 6.6770 6.6770 10.5280 10.5280 10.6884 10.6884 11.9031 11.9031 12.7301 12.7301 13.9674 13.9674 14.1940 14.1940 k = 0.0595 0.1031 0.5979 ( 3252 PWs) bands (ev): -87.8306 -87.8306 -87.8157 -87.8157 -50.4089 -50.4089 -24.7675 -24.7675 -17.1682 -17.1682 -16.9782 -16.9782 6.0888 6.0888 6.6797 6.6797 10.6057 10.6057 10.7481 10.7481 11.9795 11.9795 12.6992 12.6992 13.8807 13.8807 14.0707 14.0707 k = 0.0536 0.0928 0.5979 ( 3252 PWs) bands (ev): -87.8306 -87.8306 -87.8156 -87.8156 -50.4089 -50.4089 -24.7671 -24.7671 -17.1680 -17.1680 -16.9765 -16.9765 6.0508 6.0508 6.6823 6.6823 10.6792 10.6792 10.8081 10.8081 12.0513 12.0513 12.6734 12.6734 13.7978 13.7978 13.9540 13.9540 k = 0.0476 0.0825 0.5979 ( 3246 PWs) bands (ev): -87.8307 -87.8307 -87.8156 -87.8156 -50.4090 -50.4090 -24.7668 -24.7668 -17.1677 -17.1677 -16.9750 -16.9750 6.0167 6.0167 6.6847 6.6847 10.7479 10.7479 10.8675 10.8675 12.1173 12.1173 12.6530 12.6530 13.7194 13.7194 13.8448 13.8448 k = 0.0417 0.0722 0.5979 ( 3246 PWs) bands (ev): -87.8308 -87.8308 -87.8155 -87.8155 -50.4090 -50.4090 -24.7665 -24.7665 -17.1675 -17.1675 -16.9737 -16.9737 5.9864 5.9864 6.6869 6.6869 10.8111 10.8111 10.9254 10.9254 12.1759 12.1759 12.6387 12.6387 13.6464 13.6464 13.7440 13.7440 k = 0.0357 0.0619 0.5979 ( 3250 PWs) bands (ev): -87.8308 -87.8308 -87.8155 -87.8155 -50.4091 -50.4091 -24.7662 -24.7662 -17.1674 -17.1674 -16.9726 -16.9726 5.9600 5.9600 6.6888 6.6888 10.8682 10.8682 10.9804 10.9804 12.2256 12.2256 12.6307 12.6307 13.5797 13.5797 13.6526 13.6526 k = 0.0298 0.0515 0.5979 ( 3238 PWs) bands (ev): -87.8308 -87.8308 -87.8154 -87.8154 -50.4091 -50.4091 -24.7660 -24.7660 -17.1672 -17.1672 -16.9715 -16.9715 5.9376 5.9376 6.6905 6.6905 10.9185 10.9185 11.0307 11.0307 12.2653 12.2653 12.6291 12.6291 13.5205 13.5205 13.5718 13.5718 k = 0.0238 0.0412 0.5979 ( 3242 PWs) bands (ev): -87.8309 -87.8309 -87.8154 -87.8154 -50.4091 -50.4091 -24.7658 -24.7658 -17.1671 -17.1671 -16.9707 -16.9707 5.9193 5.9193 6.6919 6.6919 10.9613 10.9613 11.0748 11.0748 12.2949 12.2949 12.6329 12.6329 13.4699 13.4699 13.5031 13.5031 k = 0.0179 0.0309 0.5979 ( 3238 PWs) bands (ev): -87.8309 -87.8309 -87.8154 -87.8154 -50.4092 -50.4092 -24.7657 -24.7657 -17.1670 -17.1670 -16.9701 -16.9701 5.9050 5.9050 6.6930 6.6930 10.9959 10.9959 11.1112 11.1112 12.3153 12.3153 12.6401 12.6401 13.4289 13.4289 13.4478 13.4478 k = 0.0119 0.0206 0.5979 ( 3238 PWs) bands (ev): -87.8309 -87.8309 -87.8154 -87.8154 -50.4092 -50.4092 -24.7656 -24.7656 -17.1670 -17.1670 -16.9696 -16.9696 5.8947 5.8947 6.6938 6.6938 11.0213 11.0213 11.1383 11.1383 12.3280 12.3280 12.6479 12.6479 13.3987 13.3987 13.4071 13.4071 k = 0.0060 0.0103 0.5979 ( 3242 PWs) bands (ev): -87.8309 -87.8309 -87.8153 -87.8153 -50.4092 -50.4092 -24.7655 -24.7655 -17.1669 -17.1669 -16.9694 -16.9694 5.8886 5.8886 6.6943 6.6943 11.0370 11.0370 11.1551 11.1551 12.3349 12.3349 12.6538 12.6538 13.3801 13.3801 13.3822 13.3822 k = 0.0000 0.0000 0.5979 ( 3246 PWs) bands (ev): -87.8309 -87.8309 -87.8153 -87.8153 -50.4092 -50.4092 -24.7655 -24.7655 -17.1669 -17.1669 -16.9693 -16.9693 5.8865 5.8865 6.6944 6.6944 11.0422 11.0422 11.1607 11.1607 12.3370 12.3370 12.6559 12.6559 13.3734 13.3734 13.3744 13.3744 k = 0.5000 0.2887 0.5979 ( 3280 PWs) bands (ev): -87.8257 -87.8257 -87.8205 -87.8205 -50.4060 -50.4060 -24.7849 -24.7849 -17.1859 -17.1859 -17.0490 -17.0490 6.5065 6.5065 8.7191 8.7191 8.9491 8.9491 8.9591 8.9591 9.9932 9.9932 15.1114 15.1114 15.5566 15.5566 17.2978 17.2978 k = 0.5000 0.2887 0.5859 ( 3280 PWs) bands (ev): -87.8257 -87.8257 -87.8205 -87.8205 -50.4060 -50.4060 -24.7849 -24.7849 -17.1856 -17.1856 -17.0491 -17.0491 6.5066 6.5066 8.6823 8.6823 8.9447 8.9447 9.0005 9.0005 9.9952 9.9952 15.1104 15.1104 15.5553 15.5553 17.2765 17.2765 k = 0.5000 0.2887 0.5739 ( 3284 PWs) bands (ev): -87.8257 -87.8257 -87.8205 -87.8205 -50.4060 -50.4060 -24.7847 -24.7847 -17.1847 -17.1847 -17.0492 -17.0492 6.5068 6.5068 8.6031 8.6031 8.9474 8.9474 9.0776 9.0776 10.0012 10.0012 15.1075 15.1075 15.5514 15.5514 17.2166 17.2166 k = 0.5000 0.2887 0.5620 ( 3280 PWs) bands (ev): -87.8257 -87.8257 -87.8205 -87.8205 -50.4061 -50.4061 -24.7843 -24.7843 -17.1832 -17.1832 -17.0494 -17.0494 6.5072 6.5072 8.5101 8.5101 8.9538 8.9538 9.1653 9.1653 10.0112 10.0112 15.1026 15.1026 15.5449 15.5449 17.1280 17.1280 k = 0.5000 0.2887 0.5500 ( 3278 PWs) bands (ev): -87.8257 -87.8257 -87.8205 -87.8205 -50.4063 -50.4063 -24.7839 -24.7839 -17.1812 -17.1812 -17.0498 -17.0498 6.5077 6.5077 8.4119 8.4119 8.9631 8.9631 9.2554 9.2554 10.0253 10.0253 15.0958 15.0958 15.5359 15.5359 17.0206 17.0206 k = 0.5000 0.2887 0.5381 ( 3280 PWs) bands (ev): -87.8257 -87.8257 -87.8205 -87.8205 -50.4065 -50.4065 -24.7833 -24.7833 -17.1786 -17.1786 -17.0502 -17.0502 6.5084 6.5084 8.3114 8.3114 8.9751 8.9751 9.3451 9.3451 10.0436 10.0436 15.0872 15.0872 15.5246 15.5246 16.9021 16.9021 k = 0.5000 0.2887 0.5261 ( 3276 PWs) bands (ev): -87.8257 -87.8257 -87.8205 -87.8205 -50.4067 -50.4067 -24.7826 -24.7826 -17.1755 -17.1755 -17.0506 -17.0506 6.5091 6.5091 8.2097 8.2097 8.9898 8.9898 9.4328 9.4328 10.0660 10.0660 15.0768 15.0768 15.5112 15.5112 16.7778 16.7778 k = 0.5000 0.2887 0.5142 ( 3274 PWs) bands (ev): -87.8257 -87.8257 -87.8205 -87.8205 -50.4069 -50.4069 -24.7817 -24.7817 -17.1718 -17.1718 -17.0512 -17.0512 6.5100 6.5100 8.1076 8.1076 9.0072 9.0072 9.5178 9.5178 10.0926 10.0926 15.0648 15.0648 15.4957 15.4957 16.6514 16.6514 k = 0.5000 0.2887 0.5022 ( 3282 PWs) bands (ev): -87.8257 -87.8257 -87.8205 -87.8205 -50.4072 -50.4072 -24.7808 -24.7808 -17.1677 -17.1677 -17.0518 -17.0518 6.5109 6.5109 8.0053 8.0053 9.0272 9.0272 9.5994 9.5994 10.1233 10.1233 15.0512 15.0512 15.4785 15.4785 16.5254 16.5254 k = 0.5000 0.2887 0.4902 ( 3286 PWs) bands (ev): -87.8257 -87.8257 -87.8205 -87.8205 -50.4076 -50.4076 -24.7797 -24.7797 -17.1631 -17.1631 -17.0524 -17.0524 6.5119 6.5119 7.9033 7.9033 9.0497 9.0497 9.6772 9.6772 10.1580 10.1580 15.0362 15.0362 15.4598 15.4598 16.4018 16.4018 k = 0.5000 0.2887 0.4783 ( 3276 PWs) bands (ev): -87.8257 -87.8257 -87.8205 -87.8205 -50.4079 -50.4079 -24.7785 -24.7785 -17.1580 -17.1580 -17.0529 -17.0529 6.5129 6.5129 7.8016 7.8016 9.0748 9.0748 9.7508 9.7508 10.1963 10.1963 15.0199 15.0199 15.4400 15.4400 16.2819 16.2819 k = 0.5000 0.2887 0.4663 ( 3286 PWs) bands (ev): -87.8258 -87.8258 -87.8205 -87.8205 -50.4083 -50.4083 -24.7773 -24.7773 -17.1526 -17.1526 -17.0535 -17.0535 6.5140 6.5140 7.7005 7.7005 9.1023 9.1023 9.8202 9.8202 10.2377 10.2377 15.0025 15.0025 15.4194 15.4194 16.1669 16.1669 k = 0.5000 0.2887 0.4544 ( 3286 PWs) bands (ev): -87.8258 -87.8258 -87.8205 -87.8205 -50.4088 -50.4088 -24.7759 -24.7759 -17.1469 -17.1469 -17.0540 -17.0540 6.5150 6.5150 7.6002 7.6002 9.1323 9.1323 9.8857 9.8857 10.2814 10.2814 14.9840 14.9840 15.3985 15.3985 16.0577 16.0577 k = 0.5000 0.2887 0.4424 ( 3274 PWs) bands (ev): -87.8257 -87.8257 -87.8205 -87.8205 -50.4092 -50.4092 -24.7744 -24.7744 -17.1409 -17.1409 -17.0542 -17.0542 6.5160 6.5160 7.5008 7.5008 9.1647 9.1647 9.9475 9.9475 10.3266 10.3266 14.9646 14.9646 15.3778 15.3778 15.9549 15.9549 k = 0.5000 0.2887 0.4305 ( 3274 PWs) bands (ev): -87.8257 -87.8257 -87.8206 -87.8206 -50.4097 -50.4097 -24.7729 -24.7729 -17.1349 -17.1349 -17.0543 -17.0543 6.5169 6.5169 7.4024 7.4024 9.1994 9.1994 10.0060 10.0060 10.3722 10.3722 14.9444 14.9444 15.3579 15.3579 15.8593 15.8593 k = 0.5000 0.2887 0.4185 ( 3270 PWs) bands (ev): -87.8257 -87.8257 -87.8206 -87.8206 -50.4102 -50.4102 -24.7712 -24.7712 -17.1288 -17.1288 -17.0540 -17.0540 6.5176 6.5176 7.3052 7.3052 9.2363 9.2363 10.0615 10.0615 10.4174 10.4174 14.9234 14.9234 15.3390 15.3390 15.7716 15.7716 k = 0.5000 0.2887 0.4065 ( 3274 PWs) bands (ev): -87.8258 -87.8258 -87.8206 -87.8206 -50.4107 -50.4107 -24.7695 -24.7695 -17.1229 -17.1229 -17.0532 -17.0532 6.5181 6.5181 7.2094 7.2094 9.2754 9.2754 10.1142 10.1142 10.4615 10.4615 14.9016 14.9016 15.3216 15.3216 15.6923 15.6923 k = 0.5000 0.2887 0.3946 ( 3274 PWs) bands (ev): -87.8258 -87.8258 -87.8206 -87.8206 -50.4113 -50.4113 -24.7677 -24.7677 -17.1175 -17.1175 -17.0517 -17.0517 6.5182 6.5182 7.1151 7.1151 9.3167 9.3167 10.1639 10.1639 10.5044 10.5044 14.8790 14.8790 15.3053 15.3053 15.6228 15.6228 k = 0.5000 0.2887 0.3826 ( 3270 PWs) bands (ev): -87.8258 -87.8258 -87.8206 -87.8206 -50.4119 -50.4119 -24.7659 -24.7659 -17.1126 -17.1126 -17.0492 -17.0492 6.5178 6.5178 7.0227 7.0227 9.3599 9.3599 10.2100 10.2100 10.5461 10.5461 14.8557 14.8557 15.2891 15.2891 15.5650 15.5650 k = 0.5000 0.2887 0.3707 ( 3274 PWs) bands (ev): -87.8258 -87.8258 -87.8206 -87.8206 -50.4125 -50.4125 -24.7640 -24.7640 -17.1087 -17.1087 -17.0457 -17.0457 6.5166 6.5166 6.9324 6.9324 9.4050 9.4050 10.2517 10.2517 10.5873 10.5873 14.8315 14.8315 15.2705 15.2705 15.5220 15.5220 k = 0.5000 0.2887 0.3587 ( 3274 PWs) bands (ev): -87.8258 -87.8258 -87.8206 -87.8206 -50.4131 -50.4131 -24.7621 -24.7621 -17.1057 -17.1057 -17.0410 -17.0410 6.5138 6.5138 6.8452 6.8452 9.4519 9.4519 10.2877 10.2877 10.6291 10.6291 14.8065 14.8065 15.2464 15.2464 15.4971 15.4971 k = 0.5000 0.2887 0.3468 ( 3270 PWs) bands (ev): -87.8258 -87.8258 -87.8206 -87.8206 -50.4137 -50.4137 -24.7601 -24.7601 -17.1036 -17.1036 -17.0351 -17.0351 6.5083 6.5083 6.7622 6.7622 9.5005 9.5005 10.3167 10.3167 10.6728 10.6728 14.7808 14.7808 15.2156 15.2156 15.4922 15.4922 k = 0.5000 0.2887 0.3348 ( 3274 PWs) bands (ev): -87.8258 -87.8258 -87.8206 -87.8206 -50.4143 -50.4143 -24.7581 -24.7581 -17.1025 -17.1025 -17.0282 -17.0282 6.4967 6.4967 6.6870 6.6870 9.5507 9.5507 10.3374 10.3374 10.7197 10.7197 14.7544 14.7544 15.1792 15.1792 15.5058 15.5058 k = 0.5000 0.2887 0.3228 ( 3274 PWs) bands (ev): -87.8258 -87.8258 -87.8206 -87.8206 -50.4150 -50.4150 -24.7561 -24.7561 -17.1021 -17.1021 -17.0204 -17.0204 6.4718 6.4718 6.6268 6.6268 9.6023 9.6023 10.3495 10.3495 10.7705 10.7705 14.7275 14.7275 15.1398 15.1398 15.5353 15.5353 k = 0.5000 0.2887 0.3109 ( 3278 PWs) bands (ev): -87.8258 -87.8258 -87.8206 -87.8206 -50.4156 -50.4156 -24.7541 -24.7541 -17.1022 -17.1022 -17.0119 -17.0119 6.4256 6.4256 6.5896 6.5896 9.6552 9.6552 10.3530 10.3530 10.8254 10.8254 14.7004 14.7004 15.0994 15.0994 15.5783 15.5783 k = 0.5000 0.2887 0.2989 ( 3266 PWs) bands (ev): -87.8258 -87.8258 -87.8206 -87.8206 -50.4163 -50.4163 -24.7520 -24.7520 -17.1028 -17.1028 -17.0029 -17.0029 6.3623 6.3623 6.5715 6.5715 9.7092 9.7092 10.3484 10.3484 10.8842 10.8842 14.6731 14.6731 15.0592 15.0592 15.6331 15.6331 k = 0.5000 0.2887 0.2870 ( 3266 PWs) bands (ev): -87.8258 -87.8258 -87.8206 -87.8206 -50.4169 -50.4169 -24.7500 -24.7500 -17.1037 -17.1037 -16.9935 -16.9935 6.2916 6.2916 6.5628 6.5628 9.7642 9.7642 10.3368 10.3368 10.9465 10.9465 14.6459 14.6459 15.0198 15.0198 15.6984 15.6984 k = 0.5000 0.2887 0.2750 ( 3270 PWs) bands (ev): -87.8258 -87.8258 -87.8206 -87.8206 -50.4175 -50.4175 -24.7480 -24.7480 -17.1048 -17.1048 -16.9839 -16.9839 6.2188 6.2188 6.5582 6.5582 9.8199 9.8199 10.3191 10.3191 11.0116 11.0116 14.6190 14.6190 14.9816 14.9816 15.7733 15.7733 k = 0.5000 0.2887 0.2631 ( 3276 PWs) bands (ev): -87.8258 -87.8258 -87.8206 -87.8206 -50.4182 -50.4182 -24.7460 -24.7460 -17.1061 -17.1061 -16.9742 -16.9742 6.1464 6.1464 6.5556 6.5556 9.8763 9.8763 10.2963 10.2963 11.0790 11.0790 14.5924 14.5924 14.9446 14.9446 15.8566 15.8566 k = 0.5000 0.2887 0.2511 ( 3272 PWs) bands (ev): -87.8258 -87.8258 -87.8206 -87.8206 -50.4188 -50.4188 -24.7440 -24.7440 -17.1076 -17.1076 -16.9644 -16.9644 6.0753 6.0753 6.5540 6.5540 9.9331 9.9331 10.2695 10.2695 11.1482 11.1482 14.5664 14.5664 14.9090 14.9090 15.8834 15.8834 k = 0.5000 0.2887 0.2391 ( 3280 PWs) bands (ev): -87.8258 -87.8258 -87.8206 -87.8206 -50.4194 -50.4194 -24.7421 -24.7421 -17.1091 -17.1091 -16.9546 -16.9546 6.0060 6.0060 6.5529 6.5529 9.9900 9.9900 10.2395 10.2395 11.2188 11.2188 14.5411 14.5411 14.8749 14.8749 15.8035 15.8035 k = 0.5000 0.2887 0.2272 ( 3278 PWs) bands (ev): -87.8258 -87.8258 -87.8206 -87.8206 -50.4200 -50.4200 -24.7402 -24.7402 -17.1106 -17.1106 -16.9449 -16.9449 5.9389 5.9389 6.5521 6.5521 10.0468 10.0468 10.2071 10.2071 11.2903 11.2903 14.5164 14.5164 14.8421 14.8421 15.7257 15.7257 k = 0.5000 0.2887 0.2152 ( 3278 PWs) bands (ev): -87.8258 -87.8258 -87.8206 -87.8206 -50.4206 -50.4206 -24.7384 -24.7384 -17.1122 -17.1122 -16.9354 -16.9354 5.8743 5.8743 6.5516 6.5516 10.1029 10.1029 10.1734 10.1734 11.3623 11.3623 14.4927 14.4927 14.8108 14.8108 15.6506 15.6506 k = 0.5000 0.2887 0.2033 ( 3278 PWs) bands (ev): -87.8258 -87.8258 -87.8206 -87.8206 -50.4212 -50.4212 -24.7366 -24.7366 -17.1138 -17.1138 -16.9260 -16.9260 5.8123 5.8123 6.5512 6.5512 10.1345 10.1345 10.1628 10.1628 11.4343 11.4343 14.4698 14.4698 14.7809 14.7809 15.5783 15.5783 k = 0.5000 0.2887 0.1913 ( 3278 PWs) bands (ev): -87.8258 -87.8258 -87.8206 -87.8206 -50.4218 -50.4218 -24.7349 -24.7349 -17.1154 -17.1154 -16.9169 -16.9169 5.7531 5.7531 6.5509 6.5509 10.1009 10.1009 10.2161 10.2161 11.5059 11.5059 14.4479 14.4479 14.7524 14.7524 15.5090 15.5090 k = 0.5000 0.2887 0.1794 ( 3272 PWs) bands (ev): -87.8258 -87.8258 -87.8206 -87.8206 -50.4223 -50.4223 -24.7332 -24.7332 -17.1169 -17.1169 -16.9081 -16.9081 5.6968 5.6968 6.5506 6.5506 10.0655 10.0655 10.2702 10.2702 11.5767 11.5767 14.4271 14.4271 14.7254 14.7254 15.4427 15.4427 k = 0.5000 0.2887 0.1674 ( 3284 PWs) bands (ev): -87.8258 -87.8258 -87.8206 -87.8206 -50.4228 -50.4228 -24.7317 -24.7317 -17.1184 -17.1184 -16.8996 -16.8996 5.6435 5.6435 6.5504 6.5504 10.0306 10.0306 10.3230 10.3230 11.6462 11.6462 14.4074 14.4074 14.6999 14.6999 15.3796 15.3796 k = 0.5000 0.2887 0.1554 ( 3288 PWs) bands (ev): -87.8258 -87.8258 -87.8206 -87.8206 -50.4233 -50.4233 -24.7302 -24.7302 -17.1198 -17.1198 -16.8915 -16.8915 5.5935 5.5935 6.5501 6.5501 9.9965 9.9965 10.3743 10.3743 11.7140 11.7140 14.3889 14.3889 14.6758 14.6758 15.3199 15.3199 k = 0.5000 0.2887 0.1435 ( 3288 PWs) bands (ev): -87.8258 -87.8258 -87.8206 -87.8206 -50.4238 -50.4238 -24.7288 -24.7288 -17.1212 -17.1212 -16.8839 -16.8839 5.5466 5.5466 6.5499 6.5499 9.9638 9.9638 10.4236 10.4236 11.7796 11.7796 14.3716 14.3716 14.6531 14.6531 15.2637 15.2637 k = 0.5000 0.2887 0.1315 ( 3282 PWs) bands (ev): -87.8258 -87.8258 -87.8206 -87.8206 -50.4242 -50.4242 -24.7275 -24.7275 -17.1225 -17.1225 -16.8767 -16.8767 5.5032 5.5032 6.5497 6.5497 9.9326 9.9326 10.4706 10.4706 11.8424 11.8424 14.3555 14.3555 14.6320 14.6320 15.2112 15.2112 k = 0.5000 0.2887 0.1196 ( 3284 PWs) bands (ev): -87.8258 -87.8258 -87.8206 -87.8206 -50.4246 -50.4246 -24.7263 -24.7263 -17.1237 -17.1237 -16.8700 -16.8700 5.4632 5.4632 6.5495 6.5495 9.9034 9.9034 10.5150 10.5150 11.9021 11.9021 14.3407 14.3407 14.6124 14.6124 15.1626 15.1626 k = 0.5000 0.2887 0.1076 ( 3280 PWs) bands (ev): -87.8258 -87.8258 -87.8206 -87.8206 -50.4249 -50.4249 -24.7252 -24.7252 -17.1248 -17.1248 -16.8638 -16.8638 5.4267 5.4267 6.5493 6.5493 9.8763 9.8763 10.5565 10.5565 11.9580 11.9581 14.3272 14.3272 14.5944 14.5944 15.1181 15.1181 k = 0.5000 0.2887 0.0957 ( 3276 PWs) bands (ev): -87.8258 -87.8258 -87.8206 -87.8206 -50.4253 -50.4253 -24.7242 -24.7242 -17.1258 -17.1258 -16.8582 -16.8582 5.3939 5.3939 6.5492 6.5492 9.8516 9.8516 10.5946 10.5946 12.0098 12.0098 14.3151 14.3151 14.5780 14.5780 15.0778 15.0778 k = 0.5000 0.2887 0.0837 ( 3280 PWs) bands (ev): -87.8258 -87.8258 -87.8206 -87.8206 -50.4256 -50.4256 -24.7233 -24.7233 -17.1267 -17.1267 -16.8532 -16.8532 5.3648 5.3648 6.5490 6.5490 9.8294 9.8294 10.6292 10.6292 12.0568 12.0568 14.3043 14.3043 14.5633 14.5633 15.0420 15.0420 k = 0.5000 0.2887 0.0717 ( 3272 PWs) bands (ev): -87.8258 -87.8258 -87.8206 -87.8206 -50.4258 -50.4258 -24.7225 -24.7225 -17.1275 -17.1275 -16.8488 -16.8488 5.3394 5.3394 6.5489 6.5489 9.8099 9.8099 10.6599 10.6599 12.0987 12.0987 14.2949 14.2949 14.5503 14.5503 15.0106 15.0106 k = 0.5000 0.2887 0.0598 ( 3276 PWs) bands (ev): -87.8258 -87.8258 -87.8206 -87.8206 -50.4260 -50.4260 -24.7218 -24.7218 -17.1281 -17.1281 -16.8451 -16.8451 5.3178 5.3178 6.5488 6.5488 9.7932 9.7932 10.6864 10.6864 12.1350 12.1350 14.2870 14.2870 14.5391 14.5391 14.9839 14.9839 k = 0.5000 0.2887 0.0478 ( 3276 PWs) bands (ev): -87.8258 -87.8258 -87.8206 -87.8206 -50.4262 -50.4262 -24.7213 -24.7213 -17.1287 -17.1287 -16.8420 -16.8420 5.3001 5.3001 6.5487 6.5487 9.7794 9.7794 10.7085 10.7085 12.1653 12.1653 14.2804 14.2804 14.5298 14.5298 14.9619 14.9619 k = 0.5000 0.2887 0.0359 ( 3272 PWs) bands (ev): -87.8258 -87.8258 -87.8206 -87.8206 -50.4264 -50.4264 -24.7208 -24.7208 -17.1291 -17.1291 -16.8396 -16.8396 5.2863 5.2863 6.5486 6.5486 9.7686 9.7686 10.7259 10.7259 12.1892 12.1892 14.2753 14.2753 14.5225 14.5225 14.9448 14.9448 k = 0.5000 0.2887 0.0239 ( 3276 PWs) bands (ev): -87.8258 -87.8258 -87.8206 -87.8206 -50.4265 -50.4265 -24.7205 -24.7205 -17.1294 -17.1294 -16.8379 -16.8379 5.2764 5.2764 6.5485 6.5485 9.7608 9.7608 10.7385 10.7385 12.2065 12.2065 14.2717 14.2717 14.5172 14.5172 14.9325 14.9325 k = 0.5000 0.2887 0.0120 ( 3276 PWs) bands (ev): -87.8258 -87.8258 -87.8206 -87.8206 -50.4265 -50.4265 -24.7204 -24.7204 -17.1296 -17.1296 -16.8368 -16.8368 5.2704 5.2704 6.5485 6.5485 9.7561 9.7561 10.7461 10.7461 12.2169 12.2169 14.2695 14.2695 14.5139 14.5139 14.9251 14.9251 k = 0.5000 0.2887-0.0000 ( 3264 PWs) bands (ev): -87.8258 -87.8258 -87.8206 -87.8206 -50.4265 -50.4265 -24.7203 -24.7203 -17.1297 -17.1297 -16.8365 -16.8365 5.2684 5.2684 6.5485 6.5485 9.7546 9.7546 10.7486 10.7486 12.2204 12.2204 14.2687 14.2687 14.5129 14.5129 14.9226 14.9226 k = 0.3333 0.5774-0.0000 ( 3258 PWs) bands (ev): -87.8232 -87.8232 -87.8232 -87.8232 -50.4261 -50.4261 -24.7230 -24.7230 -17.1382 -17.1382 -16.8427 -16.8427 6.5197 6.5197 6.7545 6.7545 7.0769 7.0769 12.6504 12.6504 13.0869 13.0869 13.0907 13.0907 13.7889 13.7889 13.9915 13.9915 k = 0.3333 0.5774 0.0120 ( 3273 PWs) bands (ev): -87.8232 -87.8232 -87.8232 -87.8232 -50.4261 -50.4261 -24.7231 -24.7231 -17.1381 -17.1381 -16.8431 -16.8431 6.5220 6.5220 6.7551 6.7551 7.0770 7.0770 12.6492 12.6492 13.0714 13.0714 13.0761 13.0761 13.8076 13.8076 14.0049 14.0049 k = 0.3333 0.5774 0.0239 ( 3273 PWs) bands (ev): -87.8232 -87.8232 -87.8232 -87.8232 -50.4260 -50.4260 -24.7233 -24.7233 -17.1379 -17.1379 -16.8442 -16.8442 6.5288 6.5288 6.7568 6.7568 7.0775 7.0775 12.6447 12.6447 13.0189 13.0189 13.0465 13.0465 13.8587 13.8587 14.0429 14.0429 k = 0.3333 0.5774 0.0359 ( 3285 PWs) bands (ev): -87.8232 -87.8232 -87.8232 -87.8232 -50.4260 -50.4260 -24.7236 -24.7236 -17.1376 -17.1376 -16.8459 -16.8459 6.5402 6.5402 6.7597 6.7597 7.0783 7.0783 12.6345 12.6345 12.9435 12.9435 13.0058 13.0058 13.9316 13.9316 14.1004 14.1004 k = 0.3333 0.5774 0.0478 ( 3285 PWs) bands (ev): -87.8232 -87.8232 -87.8232 -87.8232 -50.4258 -50.4258 -24.7241 -24.7241 -17.1371 -17.1371 -16.8484 -16.8484 6.5558 6.5558 6.7640 6.7640 7.0794 7.0794 12.6139 12.6139 12.8542 12.8542 12.9640 12.9640 14.0176 14.0176 14.1720 14.1720 k = 0.3333 0.5774 0.0598 ( 3285 PWs) bands (ev): -87.8232 -87.8232 -87.8232 -87.8232 -50.4256 -50.4256 -24.7246 -24.7246 -17.1365 -17.1365 -16.8515 -16.8515 6.5754 6.5754 6.7700 6.7700 7.0808 7.0808 12.5776 12.5776 12.7564 12.7564 12.9311 12.9311 14.1111 14.1111 14.2532 14.2532 k = 0.3333 0.5774 0.0717 ( 3273 PWs) bands (ev): -87.8232 -87.8232 -87.8232 -87.8232 -50.4254 -50.4254 -24.7252 -24.7252 -17.1358 -17.1358 -16.8553 -16.8553 6.5985 6.5985 6.7780 6.7780 7.0824 7.0824 12.5226 12.5226 12.6536 12.6536 12.9133 12.9133 14.2087 14.2087 14.3406 14.3406 k = 0.3333 0.5774 0.0837 ( 3267 PWs) bands (ev): -87.8232 -87.8232 -87.8232 -87.8232 -50.4251 -50.4251 -24.7260 -24.7260 -17.1349 -17.1349 -16.8597 -16.8597 6.6242 6.6242 6.7889 6.7889 7.0844 7.0844 12.4507 12.4507 12.5478 12.5478 12.9109 12.9109 14.3085 14.3085 14.4321 14.4321 k = 0.3333 0.5774 0.0957 ( 3267 PWs) bands (ev): -87.8232 -87.8232 -87.8232 -87.8232 -50.4249 -50.4249 -24.7269 -24.7269 -17.1339 -17.1339 -16.8648 -16.8648 6.6514 6.6514 6.8037 6.8037 7.0866 7.0866 12.3667 12.3667 12.4404 12.4404 12.9208 12.9208 14.4091 14.4091 14.5261 14.5261 k = 0.3333 0.5774 0.1076 ( 3273 PWs) bands (ev): -87.8232 -87.8232 -87.8232 -87.8232 -50.4245 -50.4245 -24.7279 -24.7279 -17.1328 -17.1328 -16.8705 -16.8705 6.6782 6.6782 6.8244 6.8244 7.0891 7.0891 12.2749 12.2749 12.3321 12.3321 12.9398 12.9398 14.5098 14.5098 14.6215 14.6215 k = 0.3333 0.5774 0.1196 ( 3273 PWs) bands (ev): -87.8232 -87.8232 -87.8232 -87.8232 -50.4242 -50.4242 -24.7290 -24.7290 -17.1315 -17.1315 -16.8767 -16.8767 6.7026 6.7026 6.8526 6.8526 7.0918 7.0918 12.1782 12.1782 12.2235 12.2235 12.9659 12.9659 14.6101 14.6101 14.7175 14.7175 k = 0.3333 0.5774 0.1315 ( 3270 PWs) bands (ev): -87.8232 -87.8232 -87.8232 -87.8232 -50.4238 -50.4238 -24.7302 -24.7302 -17.1302 -17.1302 -16.8835 -16.8835 6.7234 6.7234 6.8895 6.8895 7.0947 7.0947 12.0784 12.0784 12.1153 12.1153 12.9976 12.9976 14.7094 14.7094 14.8136 14.8136 k = 0.3333 0.5774 0.1435 ( 3270 PWs) bands (ev): -87.8232 -87.8232 -87.8232 -87.8232 -50.4233 -50.4233 -24.7315 -24.7315 -17.1287 -17.1287 -16.8908 -16.8908 6.7408 6.7408 6.9349 6.9349 7.0978 7.0978 11.9770 11.9770 12.0077 12.0077 13.0340 13.0340 14.8076 14.8076 14.9093 14.9093 k = 0.3333 0.5774 0.1554 ( 3276 PWs) bands (ev): -87.8232 -87.8232 -87.8232 -87.8232 -50.4229 -50.4229 -24.7329 -24.7329 -17.1272 -17.1272 -16.8986 -16.8986 6.7556 6.7556 6.9876 6.9876 7.1011 7.1011 11.8747 11.8747 11.9011 11.9011 13.0747 13.0747 14.9044 14.9044 15.0043 15.0043 k = 0.3333 0.5774 0.1674 ( 3270 PWs) bands (ev): -87.8232 -87.8232 -87.8232 -87.8232 -50.4224 -50.4224 -24.7344 -24.7344 -17.1255 -17.1255 -16.9069 -16.9069 6.7688 6.7688 7.0468 7.0468 7.1046 7.1046 11.7722 11.7722 11.7956 11.7956 13.1192 13.1192 14.9996 14.9996 15.0984 15.0984 k = 0.3333 0.5774 0.1794 ( 3270 PWs) bands (ev): -87.8232 -87.8232 -87.8232 -87.8232 -50.4219 -50.4219 -24.7359 -24.7359 -17.1238 -17.1238 -16.9155 -16.9155 6.7810 6.7810 7.1082 7.1082 7.1113 7.1113 11.6700 11.6700 11.6916 11.6916 13.1670 13.1670 15.0930 15.0930 15.1914 15.1914 k = 0.3333 0.5774 0.1913 ( 3258 PWs) bands (ev): -87.8232 -87.8232 -87.8232 -87.8232 -50.4213 -50.4213 -24.7375 -24.7375 -17.1219 -17.1219 -16.9246 -16.9246 6.7928 6.7928 7.1119 7.1119 7.1808 7.1808 11.5684 11.5684 11.5892 11.5892 13.2181 13.2181 15.1847 15.1847 15.2830 15.2830 k = 0.3333 0.5774 0.2033 ( 3264 PWs) bands (ev): -87.8232 -87.8232 -87.8232 -87.8232 -50.4208 -50.4208 -24.7393 -24.7393 -17.1200 -17.1200 -16.9340 -16.9340 6.8044 6.8044 7.1156 7.1156 7.2546 7.2546 11.4678 11.4678 11.4886 11.4886 13.2720 13.2720 15.2744 15.2744 15.3733 15.3733 k = 0.3333 0.5774 0.2152 ( 3264 PWs) bands (ev): -87.8232 -87.8232 -87.8232 -87.8232 -50.4202 -50.4202 -24.7410 -24.7410 -17.1180 -17.1180 -16.9437 -16.9437 6.8160 6.8160 7.1194 7.1194 7.3324 7.3324 11.3683 11.3683 11.3900 11.3900 13.3285 13.3285 15.3621 15.3621 15.4621 15.4621 k = 0.3333 0.5774 0.2272 ( 3270 PWs) bands (ev): -87.8232 -87.8232 -87.8232 -87.8232 -50.4196 -50.4196 -24.7429 -24.7429 -17.1160 -17.1160 -16.9536 -16.9536 6.8276 6.8276 7.1233 7.1233 7.4140 7.4140 11.2704 11.2704 11.2935 11.2935 13.3873 13.3873 15.4478 15.4478 15.5493 15.5493 k = 0.3333 0.5774 0.2391 ( 3270 PWs) bands (ev): -87.8232 -87.8232 -87.8232 -87.8232 -50.4190 -50.4190 -24.7447 -24.7447 -17.1139 -17.1139 -16.9638 -16.9638 6.8393 6.8393 7.1271 7.1271 7.4990 7.4990 11.1741 11.1741 11.1993 11.1993 13.4480 13.4480 15.5314 15.5314 15.6348 15.6348 k = 0.3333 0.5774 0.2511 ( 3270 PWs) bands (ev): -87.8232 -87.8232 -87.8232 -87.8232 -50.4184 -50.4184 -24.7467 -24.7467 -17.1118 -17.1118 -16.9741 -16.9741 6.8513 6.8513 7.1310 7.1310 7.5871 7.5871 11.0796 11.0796 11.1075 11.1075 13.5103 13.5103 15.6129 15.6129 15.7186 15.7186 k = 0.3333 0.5774 0.2631 ( 3276 PWs) bands (ev): -87.8232 -87.8232 -87.8232 -87.8232 -50.4178 -50.4178 -24.7486 -24.7486 -17.1097 -17.1097 -16.9846 -16.9846 6.8633 6.8633 7.1347 7.1347 7.6782 7.6782 10.9871 10.9871 11.0182 11.0182 13.5737 13.5737 15.6922 15.6922 15.8007 15.8007 k = 0.3333 0.5774 0.2750 ( 3264 PWs) bands (ev): -87.8232 -87.8232 -87.8232 -87.8232 -50.4171 -50.4171 -24.7506 -24.7506 -17.1075 -17.1075 -16.9951 -16.9951 6.8756 6.8756 7.1384 7.1384 7.7718 7.7718 10.8968 10.8968 10.9315 10.9315 13.6378 13.6378 15.7694 15.7694 15.8809 15.8809 k = 0.3333 0.5774 0.2870 ( 3264 PWs) bands (ev): -87.8232 -87.8232 -87.8232 -87.8232 -50.4165 -50.4165 -24.7526 -24.7526 -17.1053 -17.1053 -17.0057 -17.0057 6.8880 6.8880 7.1420 7.1420 7.8679 7.8679 10.8087 10.8087 10.8475 10.8475 13.7019 13.7019 15.8443 15.8443 15.9593 15.9593 k = 0.3333 0.5774 0.2989 ( 3264 PWs) bands (ev): -87.8232 -87.8232 -87.8232 -87.8232 -50.4158 -50.4158 -24.7546 -24.7546 -17.1030 -17.1030 -17.0163 -17.0163 6.9006 6.9006 7.1455 7.1455 7.9660 7.9660 10.7232 10.7232 10.7664 10.7664 13.7655 13.7655 15.9170 15.9170 16.0357 16.0357 k = 0.3333 0.5774 0.3109 ( 3258 PWs) bands (ev): -87.8232 -87.8232 -87.8232 -87.8232 -50.4152 -50.4152 -24.7566 -24.7566 -17.1008 -17.1008 -17.0268 -17.0268 6.9132 6.9132 7.1488 7.1488 8.0660 8.0660 10.6402 10.6402 10.6881 10.6881 13.8278 13.8278 15.9875 15.9875 16.1102 16.1102 k = 0.3333 0.5774 0.3228 ( 3258 PWs) bands (ev): -87.8232 -87.8232 -87.8232 -87.8232 -50.4145 -50.4145 -24.7586 -24.7586 -17.0986 -17.0986 -17.0373 -17.0373 6.9260 6.9260 7.1520 7.1520 8.1673 8.1673 10.5600 10.5600 10.6128 10.6128 13.8881 13.8881 16.0556 16.0556 16.1826 16.1826 k = 0.3333 0.5774 0.3348 ( 3270 PWs) bands (ev): -87.8232 -87.8232 -87.8232 -87.8232 -50.4139 -50.4139 -24.7606 -24.7606 -17.0964 -17.0964 -17.0477 -17.0477 6.9388 6.9388 7.1549 7.1549 8.2699 8.2699 10.4826 10.4826 10.5405 10.5405 13.9454 13.9454 16.1215 16.1215 16.2528 16.2528 k = 0.3333 0.5774 0.3468 ( 3267 PWs) bands (ev): -87.8232 -87.8232 -87.8232 -87.8232 -50.4133 -50.4133 -24.7626 -24.7626 -17.0942 -17.0942 -17.0579 -17.0579 6.9516 6.9516 7.1577 7.1577 8.3731 8.3731 10.4084 10.4084 10.4713 10.4713 13.9988 13.9988 16.1850 16.1850 16.3209 16.3209 k = 0.3333 0.5774 0.3587 ( 3261 PWs) bands (ev): -87.8232 -87.8232 -87.8232 -87.8232 -50.4127 -50.4127 -24.7646 -24.7646 -17.0921 -17.0921 -17.0679 -17.0679 6.9643 6.9643 7.1603 7.1603 8.4767 8.4767 10.3374 10.3374 10.4053 10.4053 14.0474 14.0474 16.2461 16.2461 16.3867 16.3867 k = 0.3333 0.5774 0.3707 ( 3261 PWs) bands (ev): -87.8232 -87.8232 -87.8232 -87.8232 -50.4120 -50.4120 -24.7665 -24.7665 -17.0900 -17.0900 -17.0777 -17.0777 6.9770 6.9770 7.1626 7.1626 8.5802 8.5802 10.2699 10.2699 10.3424 10.3424 14.0900 14.0900 16.3048 16.3048 16.4500 16.4500 k = 0.3333 0.5774 0.3826 ( 3261 PWs) bands (ev): -87.8232 -87.8232 -87.8232 -87.8232 -50.4115 -50.4115 -24.7684 -24.7684 -17.0879 -17.0879 -17.0871 -17.0871 6.9896 6.9896 7.1647 7.1647 8.6830 8.6830 10.2061 10.2061 10.2827 10.2827 14.1258 14.1258 16.3610 16.3610 16.5109 16.5109 k = 0.3333 0.5774 0.3946 ( 3276 PWs) bands (ev): -87.8232 -87.8232 -87.8232 -87.8232 -50.4109 -50.4109 -24.7702 -24.7702 -17.0963 -17.0963 -17.0860 -17.0860 7.0019 7.0019 7.1666 7.1666 8.7845 8.7845 10.1464 10.1464 10.2263 10.2263 14.1539 14.1539 16.4146 16.4146 16.5691 16.5691 k = 0.3333 0.5774 0.4065 ( 3270 PWs) bands (ev): -87.8232 -87.8232 -87.8232 -87.8232 -50.4103 -50.4103 -24.7720 -24.7720 -17.1052 -17.1052 -17.0840 -17.0840 7.0141 7.0141 7.1683 7.1683 8.8840 8.8840 10.0912 10.0912 10.1732 10.1732 14.1737 14.1737 16.4657 16.4657 16.6245 16.6245 k = 0.3333 0.5774 0.4185 ( 3270 PWs) bands (ev): -87.8232 -87.8232 -87.8232 -87.8232 -50.4098 -50.4098 -24.7737 -24.7737 -17.1136 -17.1136 -17.0822 -17.0822 7.0259 7.0259 7.1697 7.1697 8.9805 8.9805 10.0410 10.0410 10.1234 10.1234 14.1848 14.1848 16.5142 16.5142 16.6771 16.6771 k = 0.3333 0.5774 0.4305 ( 3270 PWs) bands (ev): -87.8231 -87.8231 -87.8231 -87.8231 -50.4093 -50.4093 -24.7753 -24.7753 -17.1217 -17.1217 -17.0804 -17.0804 7.0374 7.0374 7.1709 7.1709 9.0727 9.0727 9.9966 9.9966 10.0768 10.0768 14.1870 14.1870 16.5599 16.5599 16.7268 16.7268 k = 0.3333 0.5774 0.4424 ( 3279 PWs) bands (ev): -87.8231 -87.8231 -87.8231 -87.8231 -50.4088 -50.4088 -24.7769 -24.7769 -17.1294 -17.1294 -17.0788 -17.0788 7.0484 7.0484 7.1720 7.1720 9.1593 9.1593 9.9592 9.9592 10.0335 10.0335 14.1807 14.1807 16.6029 16.6029 16.7735 16.7735 k = 0.3333 0.5774 0.4544 ( 3273 PWs) bands (ev): -87.8231 -87.8231 -87.8231 -87.8231 -50.4083 -50.4083 -24.7783 -24.7783 -17.1365 -17.1365 -17.0772 -17.0772 7.0590 7.0590 7.1728 7.1728 9.2380 9.2380 9.9302 9.9302 9.9935 9.9935 14.1665 14.1665 16.6431 16.6431 16.8172 16.8172 k = 0.3333 0.5774 0.4663 ( 3267 PWs) bands (ev): -87.8231 -87.8231 -87.8231 -87.8231 -50.4079 -50.4079 -24.7797 -24.7797 -17.1432 -17.1432 -17.0757 -17.0757 7.0691 7.0691 7.1735 7.1735 9.3064 9.3064 9.9117 9.9117 9.9568 9.9568 14.1454 14.1454 16.6803 16.6803 16.8578 16.8578 k = 0.3333 0.5774 0.4783 ( 3267 PWs) bands (ev): -87.8231 -87.8231 -87.8231 -87.8231 -50.4075 -50.4075 -24.7810 -24.7810 -17.1494 -17.1494 -17.0743 -17.0743 7.0785 7.0785 7.1740 7.1740 9.3617 9.3617 9.9058 9.9058 9.9234 9.9234 14.1185 14.1185 16.7146 16.7146 16.8954 16.8954 k = 0.3333 0.5774 0.4902 ( 3267 PWs) bands (ev): -87.8231 -87.8231 -87.8231 -87.8231 -50.4071 -50.4071 -24.7821 -24.7821 -17.1551 -17.1551 -17.0731 -17.0731 7.0873 7.0873 7.1744 7.1744 9.4020 9.4020 9.8932 9.8932 9.9137 9.9137 14.0874 14.0874 16.7458 16.7458 16.9298 16.9298 k = 0.3333 0.5774 0.5022 ( 3276 PWs) bands (ev): -87.8231 -87.8231 -87.8231 -87.8231 -50.4068 -50.4068 -24.7832 -24.7832 -17.1602 -17.1602 -17.0719 -17.0719 7.0954 7.0954 7.1746 7.1746 9.4272 9.4272 9.8663 9.8663 9.9347 9.9347 14.0535 14.0535 16.7740 16.7740 16.9609 16.9609 k = 0.3333 0.5774 0.5142 ( 3282 PWs) bands (ev): -87.8231 -87.8231 -87.8231 -87.8231 -50.4065 -50.4065 -24.7841 -24.7841 -17.1648 -17.1648 -17.0709 -17.0709 7.1026 7.1026 7.1748 7.1748 9.4398 9.4398 9.8426 9.8426 9.9657 9.9657 14.0186 14.0186 16.7990 16.7990 16.9888 16.9888 k = 0.3333 0.5774 0.5261 ( 3282 PWs) bands (ev): -87.8231 -87.8231 -87.8231 -87.8231 -50.4063 -50.4063 -24.7850 -24.7850 -17.1688 -17.1688 -17.0700 -17.0700 7.1091 7.1091 7.1749 7.1749 9.4436 9.4436 9.8221 9.8221 10.0019 10.0019 13.9843 13.9843 16.8207 16.8207 17.0132 17.0132 k = 0.3333 0.5774 0.5381 ( 3282 PWs) bands (ev): -87.8231 -87.8231 -87.8231 -87.8231 -50.4061 -50.4061 -24.7857 -24.7857 -17.1722 -17.1722 -17.0693 -17.0693 7.1146 7.1146 7.1750 7.1750 9.4422 9.4422 9.8048 9.8048 10.0390 10.0390 13.9521 13.9521 16.8392 16.8392 17.0341 17.0341 k = 0.3333 0.5774 0.5500 ( 3282 PWs) bands (ev): -87.8231 -87.8231 -87.8231 -87.8231 -50.4059 -50.4059 -24.7863 -24.7863 -17.1750 -17.1750 -17.0686 -17.0686 7.1192 7.1192 7.1750 7.1750 9.4383 9.4383 9.7907 9.7907 10.0734 10.0734 13.9235 13.9235 16.8545 16.8545 17.0513 17.0513 k = 0.3333 0.5774 0.5620 ( 3276 PWs) bands (ev): -87.8231 -87.8231 -87.8231 -87.8231 -50.4057 -50.4057 -24.7867 -24.7867 -17.1772 -17.1772 -17.0681 -17.0681 7.1228 7.1228 7.1750 7.1750 9.4338 9.4338 9.7797 9.7797 10.1025 10.1025 13.8998 13.8998 16.8663 16.8663 17.0649 17.0649 k = 0.3333 0.5774 0.5739 ( 3270 PWs) bands (ev): -87.8231 -87.8231 -87.8231 -87.8231 -50.4056 -50.4056 -24.7870 -24.7870 -17.1787 -17.1787 -17.0678 -17.0678 7.1254 7.1254 7.1750 7.1750 9.4299 9.4299 9.7718 9.7718 10.1246 10.1246 13.8820 13.8820 16.8748 16.8748 17.0746 17.0746 k = 0.3333 0.5774 0.5859 ( 3273 PWs) bands (ev): -87.8231 -87.8231 -87.8231 -87.8231 -50.4056 -50.4056 -24.7872 -24.7872 -17.1797 -17.1797 -17.0676 -17.0676 7.1270 7.1270 7.1749 7.1749 9.4273 9.4273 9.7671 9.7671 10.1382 10.1382 13.8710 13.8710 16.8799 16.8799 17.0805 17.0805 k = 0.3333 0.5774 0.5979 ( 3282 PWs) bands (ev): -87.8231 -87.8231 -87.8231 -87.8231 -50.4056 -50.4056 -24.7873 -24.7873 -17.1800 -17.1800 -17.0675 -17.0675 7.1275 7.1275 7.1749 7.1749 9.4264 9.4264 9.7656 9.7656 10.1429 10.1429 13.8673 13.8673 16.8816 16.8816 17.0824 17.0824 Writing output data file HfBe2.save init_run : 0.25s CPU 0.38s WALL ( 1 calls) electrons : 62.80s CPU 64.25s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 62.79s CPU 64.24s 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 : 0.05s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.04s WALL ( 423 calls) cegterg : 56.01s CPU 56.96s WALL ( 440 calls) Called by sum_band: Called by *egterg: h_psi : 35.27s CPU 35.98s WALL ( 6675 calls) s_psi : 0.96s CPU 0.99s WALL ( 6675 calls) g_psi : 0.09s CPU 0.11s WALL ( 5812 calls) cdiaghg : 20.28s CPU 20.57s WALL ( 6235 calls) cegterg:over : 2.06s CPU 1.94s WALL ( 5812 calls) cegterg:upda : 1.29s CPU 1.43s WALL ( 5812 calls) cegterg:last : 0.83s CPU 0.88s WALL ( 1288 calls) cdiaghg:chol : 1.12s CPU 1.08s WALL ( 6235 calls) cdiaghg:inve : 0.37s CPU 0.39s WALL ( 6235 calls) cdiaghg:para : 1.28s CPU 1.30s WALL ( 12470 calls) Called by h_psi: h_psi:vloc : 32.98s CPU 33.43s WALL ( 6675 calls) h_psi:vnl : 2.24s CPU 2.49s WALL ( 6675 calls) add_vuspsi : 1.12s CPU 1.25s WALL ( 6675 calls) General routines calbec : 1.10s CPU 1.22s WALL ( 6675 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 29.59s CPU 30.05s WALL ( 487236 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.11s CPU 0.16s WALL ( 846 calls) Parallel routines fft_scatter : 11.92s CPU 12.24s WALL ( 487259 calls) PWSCF : 1m13.58s CPU 1m25.56s WALL This run was terminated on: 14:23:19 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=