Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:16:21 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: ./Sr.save/ 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 26 16 5 450 210 37 Max 27 17 6 453 219 40 Sum 955 583 187 16267 7705 1397 bravais-lattice index = 14 lattice parameter (alat) = 7.2510 a.u. unit-cell volume = 224.8361 (a.u.)^3 number of atoms/cell = 1 number of atomic types = 1 number of electrons = 10.00 number of Kohn-Sham states= 18 kinetic-energy cutoff = 40.0000 Ry charge density cutoff = 263.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.251011 celldm(2)= 1.000000 celldm(3)= 0.680988 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 0.680988 ) 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 1.468454 ) PseudoPot. # 1 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Sr 10.00 87.62000 Sr( 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= 454 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022026 k( 2) = ( 0.0104167 0.0060141 -0.0000000), wk = 0.0022026 k( 3) = ( 0.0208333 0.0120281 -0.0000000), wk = 0.0022026 k( 4) = ( 0.0312500 0.0180422 -0.0000000), wk = 0.0022026 k( 5) = ( 0.0416667 0.0240563 -0.0000000), wk = 0.0022026 k( 6) = ( 0.0520833 0.0300703 -0.0000000), wk = 0.0022026 k( 7) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0022026 k( 8) = ( 0.0729167 0.0420985 -0.0000000), wk = 0.0022026 k( 9) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0022026 k( 10) = ( 0.0937500 0.0541266 -0.0000000), wk = 0.0022026 k( 11) = ( 0.1041667 0.0601407 -0.0000000), wk = 0.0022026 k( 12) = ( 0.1145833 0.0661547 -0.0000000), wk = 0.0022026 k( 13) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0022026 k( 14) = ( 0.1354167 0.0781829 -0.0000000), wk = 0.0022026 k( 15) = ( 0.1458333 0.0841969 -0.0000000), wk = 0.0022026 k( 16) = ( 0.1562500 0.0902110 -0.0000000), wk = 0.0022026 k( 17) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0022026 k( 18) = ( 0.1770833 0.1022391 -0.0000000), wk = 0.0022026 k( 19) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0022026 k( 20) = ( 0.1979167 0.1142672 -0.0000000), wk = 0.0022026 k( 21) = ( 0.2083333 0.1202813 -0.0000000), wk = 0.0022026 k( 22) = ( 0.2187500 0.1262954 -0.0000000), wk = 0.0022026 k( 23) = ( 0.2291667 0.1323094 -0.0000000), wk = 0.0022026 k( 24) = ( 0.2395833 0.1383235 -0.0000000), wk = 0.0022026 k( 25) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0022026 k( 26) = ( 0.2604167 0.1503516 -0.0000000), wk = 0.0022026 k( 27) = ( 0.2708333 0.1563657 -0.0000000), wk = 0.0022026 k( 28) = ( 0.2812500 0.1623798 -0.0000000), wk = 0.0022026 k( 29) = ( 0.2916667 0.1683938 -0.0000000), wk = 0.0022026 k( 30) = ( 0.3020833 0.1744079 -0.0000000), wk = 0.0022026 k( 31) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0022026 k( 32) = ( 0.3229167 0.1864360 -0.0000000), wk = 0.0022026 k( 33) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0022026 k( 34) = ( 0.3437500 0.1984642 -0.0000000), wk = 0.0022026 k( 35) = ( 0.3541667 0.2044782 -0.0000000), wk = 0.0022026 k( 36) = ( 0.3645833 0.2104923 -0.0000000), wk = 0.0022026 k( 37) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0022026 k( 38) = ( 0.3854167 0.2225204 -0.0000000), wk = 0.0022026 k( 39) = ( 0.3958333 0.2285345 -0.0000000), wk = 0.0022026 k( 40) = ( 0.4062500 0.2345485 -0.0000000), wk = 0.0022026 k( 41) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0022026 k( 42) = ( 0.4270833 0.2465767 -0.0000000), wk = 0.0022026 k( 43) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0022026 k( 44) = ( 0.4479167 0.2586048 -0.0000000), wk = 0.0022026 k( 45) = ( 0.4583333 0.2646189 -0.0000000), wk = 0.0022026 k( 46) = ( 0.4687500 0.2706329 -0.0000000), wk = 0.0022026 k( 47) = ( 0.4791667 0.2766470 -0.0000000), wk = 0.0022026 k( 48) = ( 0.4895833 0.2826611 -0.0000000), wk = 0.0022026 k( 49) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0022026 k( 50) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0022026 k( 51) = ( 0.4940476 0.2989850 -0.0000000), wk = 0.0022026 k( 52) = ( 0.4880952 0.3092948 -0.0000000), wk = 0.0022026 k( 53) = ( 0.4821429 0.3196046 -0.0000000), wk = 0.0022026 k( 54) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0022026 k( 55) = ( 0.4702381 0.3402243 -0.0000000), wk = 0.0022026 k( 56) = ( 0.4642857 0.3505341 -0.0000000), wk = 0.0022026 k( 57) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0022026 k( 58) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0022026 k( 59) = ( 0.4464286 0.3814636 -0.0000000), wk = 0.0022026 k( 60) = ( 0.4404762 0.3917734 -0.0000000), wk = 0.0022026 k( 61) = ( 0.4345238 0.4020832 -0.0000000), wk = 0.0022026 k( 62) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0022026 k( 63) = ( 0.4226190 0.4227029 -0.0000000), wk = 0.0022026 k( 64) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0022026 k( 65) = ( 0.4107143 0.4433225 -0.0000000), wk = 0.0022026 k( 66) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0022026 k( 67) = ( 0.3988095 0.4639422 -0.0000000), wk = 0.0022026 k( 68) = ( 0.3928571 0.4742520 -0.0000000), wk = 0.0022026 k( 69) = ( 0.3869048 0.4845618 -0.0000000), wk = 0.0022026 k( 70) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0022026 k( 71) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0022026 k( 72) = ( 0.3690476 0.5154913 -0.0000000), wk = 0.0022026 k( 73) = ( 0.3630952 0.5258011 -0.0000000), wk = 0.0022026 k( 74) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0022026 k( 75) = ( 0.3511905 0.5464208 -0.0000000), wk = 0.0022026 k( 76) = ( 0.3452381 0.5567306 -0.0000000), wk = 0.0022026 k( 77) = ( 0.3392857 0.5670404 -0.0000000), wk = 0.0022026 k( 78) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0022026 k( 79) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0022026 k( 80) = ( 0.3272727 0.5668530 -0.0000000), wk = 0.0022026 k( 81) = ( 0.3212121 0.5563557 -0.0000000), wk = 0.0022026 k( 82) = ( 0.3151515 0.5458584 -0.0000000), wk = 0.0022026 k( 83) = ( 0.3090909 0.5353612 -0.0000000), wk = 0.0022026 k( 84) = ( 0.3030303 0.5248639 -0.0000000), wk = 0.0022026 k( 85) = ( 0.2969697 0.5143666 -0.0000000), wk = 0.0022026 k( 86) = ( 0.2909091 0.5038693 -0.0000000), wk = 0.0022026 k( 87) = ( 0.2848485 0.4933720 -0.0000000), wk = 0.0022026 k( 88) = ( 0.2787879 0.4828748 -0.0000000), wk = 0.0022026 k( 89) = ( 0.2727273 0.4723775 -0.0000000), wk = 0.0022026 k( 90) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0022026 k( 91) = ( 0.2606061 0.4513829 -0.0000000), wk = 0.0022026 k( 92) = ( 0.2545455 0.4408857 -0.0000000), wk = 0.0022026 k( 93) = ( 0.2484849 0.4303884 -0.0000000), wk = 0.0022026 k( 94) = ( 0.2424242 0.4198911 -0.0000000), wk = 0.0022026 k( 95) = ( 0.2363636 0.4093938 -0.0000000), wk = 0.0022026 k( 96) = ( 0.2303030 0.3988965 -0.0000000), wk = 0.0022026 k( 97) = ( 0.2242424 0.3883993 -0.0000000), wk = 0.0022026 k( 98) = ( 0.2181818 0.3779020 -0.0000000), wk = 0.0022026 k( 99) = ( 0.2121212 0.3674047 -0.0000000), wk = 0.0022026 k( 100) = ( 0.2060606 0.3569074 -0.0000000), wk = 0.0022026 k( 101) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0022026 k( 102) = ( 0.1939394 0.3359129 -0.0000000), wk = 0.0022026 k( 103) = ( 0.1878788 0.3254156 -0.0000000), wk = 0.0022026 k( 104) = ( 0.1818182 0.3149183 -0.0000000), wk = 0.0022026 k( 105) = ( 0.1757576 0.3044211 -0.0000000), wk = 0.0022026 k( 106) = ( 0.1696970 0.2939238 -0.0000000), wk = 0.0022026 k( 107) = ( 0.1636364 0.2834265 -0.0000000), wk = 0.0022026 k( 108) = ( 0.1575758 0.2729292 -0.0000000), wk = 0.0022026 k( 109) = ( 0.1515151 0.2624319 -0.0000000), wk = 0.0022026 k( 110) = ( 0.1454545 0.2519347 -0.0000000), wk = 0.0022026 k( 111) = ( 0.1393939 0.2414374 -0.0000000), wk = 0.0022026 k( 112) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0022026 k( 113) = ( 0.1272727 0.2204428 -0.0000000), wk = 0.0022026 k( 114) = ( 0.1212121 0.2099456 -0.0000000), wk = 0.0022026 k( 115) = ( 0.1151515 0.1994483 -0.0000000), wk = 0.0022026 k( 116) = ( 0.1090909 0.1889510 -0.0000000), wk = 0.0022026 k( 117) = ( 0.1030303 0.1784537 -0.0000000), wk = 0.0022026 k( 118) = ( 0.0969697 0.1679564 -0.0000000), wk = 0.0022026 k( 119) = ( 0.0909091 0.1574592 -0.0000000), wk = 0.0022026 k( 120) = ( 0.0848485 0.1469619 -0.0000000), wk = 0.0022026 k( 121) = ( 0.0787879 0.1364646 -0.0000000), wk = 0.0022026 k( 122) = ( 0.0727273 0.1259673 -0.0000000), wk = 0.0022026 k( 123) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0022026 k( 124) = ( 0.0606061 0.1049728 -0.0000000), wk = 0.0022026 k( 125) = ( 0.0545455 0.0944755 -0.0000000), wk = 0.0022026 k( 126) = ( 0.0484849 0.0839782 -0.0000000), wk = 0.0022026 k( 127) = ( 0.0424242 0.0734809 -0.0000000), wk = 0.0022026 k( 128) = ( 0.0363636 0.0629837 -0.0000000), wk = 0.0022026 k( 129) = ( 0.0303030 0.0524864 -0.0000000), wk = 0.0022026 k( 130) = ( 0.0242424 0.0419891 -0.0000000), wk = 0.0022026 k( 131) = ( 0.0181818 0.0314918 -0.0000000), wk = 0.0022026 k( 132) = ( 0.0121212 0.0209946 -0.0000000), wk = 0.0022026 k( 133) = ( 0.0060606 0.0104973 -0.0000000), wk = 0.0022026 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022026 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022026 k( 136) = ( 0.0000000 0.0000000 0.0120365), wk = 0.0022026 k( 137) = ( 0.0000000 0.0000000 0.0240730), wk = 0.0022026 k( 138) = ( 0.0000000 0.0000000 0.0361095), wk = 0.0022026 k( 139) = ( 0.0000000 0.0000000 0.0481460), wk = 0.0022026 k( 140) = ( 0.0000000 0.0000000 0.0601825), wk = 0.0022026 k( 141) = ( 0.0000000 0.0000000 0.0722190), wk = 0.0022026 k( 142) = ( 0.0000000 0.0000000 0.0842555), wk = 0.0022026 k( 143) = ( 0.0000000 0.0000000 0.0962921), wk = 0.0022026 k( 144) = ( 0.0000000 0.0000000 0.1083286), wk = 0.0022026 k( 145) = ( 0.0000000 0.0000000 0.1203651), wk = 0.0022026 k( 146) = ( 0.0000000 0.0000000 0.1324016), wk = 0.0022026 k( 147) = ( 0.0000000 0.0000000 0.1444381), wk = 0.0022026 k( 148) = ( 0.0000000 0.0000000 0.1564746), wk = 0.0022026 k( 149) = ( 0.0000000 0.0000000 0.1685111), wk = 0.0022026 k( 150) = ( 0.0000000 0.0000000 0.1805476), wk = 0.0022026 k( 151) = ( 0.0000000 0.0000000 0.1925841), wk = 0.0022026 k( 152) = ( 0.0000000 0.0000000 0.2046206), wk = 0.0022026 k( 153) = ( 0.0000000 0.0000000 0.2166571), wk = 0.0022026 k( 154) = ( 0.0000000 0.0000000 0.2286936), wk = 0.0022026 k( 155) = ( 0.0000000 0.0000000 0.2407301), wk = 0.0022026 k( 156) = ( 0.0000000 0.0000000 0.2527666), wk = 0.0022026 k( 157) = ( 0.0000000 0.0000000 0.2648032), wk = 0.0022026 k( 158) = ( 0.0000000 0.0000000 0.2768397), wk = 0.0022026 k( 159) = ( 0.0000000 0.0000000 0.2888762), wk = 0.0022026 k( 160) = ( 0.0000000 0.0000000 0.3009127), wk = 0.0022026 k( 161) = ( 0.0000000 0.0000000 0.3129492), wk = 0.0022026 k( 162) = ( 0.0000000 0.0000000 0.3249857), wk = 0.0022026 k( 163) = ( 0.0000000 0.0000000 0.3370222), wk = 0.0022026 k( 164) = ( 0.0000000 0.0000000 0.3490587), wk = 0.0022026 k( 165) = ( 0.0000000 0.0000000 0.3610952), wk = 0.0022026 k( 166) = ( 0.0000000 0.0000000 0.3731317), wk = 0.0022026 k( 167) = ( 0.0000000 0.0000000 0.3851682), wk = 0.0022026 k( 168) = ( 0.0000000 0.0000000 0.3972047), wk = 0.0022026 k( 169) = ( 0.0000000 0.0000000 0.4092412), wk = 0.0022026 k( 170) = ( 0.0000000 0.0000000 0.4212777), wk = 0.0022026 k( 171) = ( 0.0000000 0.0000000 0.4333143), wk = 0.0022026 k( 172) = ( 0.0000000 0.0000000 0.4453508), wk = 0.0022026 k( 173) = ( 0.0000000 0.0000000 0.4573873), wk = 0.0022026 k( 174) = ( 0.0000000 0.0000000 0.4694238), wk = 0.0022026 k( 175) = ( 0.0000000 0.0000000 0.4814603), wk = 0.0022026 k( 176) = ( 0.0000000 0.0000000 0.4934968), wk = 0.0022026 k( 177) = ( 0.0000000 0.0000000 0.5055333), wk = 0.0022026 k( 178) = ( 0.0000000 0.0000000 0.5175698), wk = 0.0022026 k( 179) = ( 0.0000000 0.0000000 0.5296063), wk = 0.0022026 k( 180) = ( 0.0000000 0.0000000 0.5416428), wk = 0.0022026 k( 181) = ( 0.0000000 0.0000000 0.5536793), wk = 0.0022026 k( 182) = ( 0.0000000 0.0000000 0.5657158), wk = 0.0022026 k( 183) = ( 0.0000000 0.0000000 0.5777523), wk = 0.0022026 k( 184) = ( 0.0000000 0.0000000 0.5897888), wk = 0.0022026 k( 185) = ( 0.0000000 0.0000000 0.6018254), wk = 0.0022026 k( 186) = ( 0.0000000 0.0000000 0.6138619), wk = 0.0022026 k( 187) = ( 0.0000000 0.0000000 0.6258984), wk = 0.0022026 k( 188) = ( 0.0000000 0.0000000 0.6379349), wk = 0.0022026 k( 189) = ( 0.0000000 0.0000000 0.6499714), wk = 0.0022026 k( 190) = ( 0.0000000 0.0000000 0.6620079), wk = 0.0022026 k( 191) = ( 0.0000000 0.0000000 0.6740444), wk = 0.0022026 k( 192) = ( 0.0000000 0.0000000 0.6860809), wk = 0.0022026 k( 193) = ( 0.0000000 0.0000000 0.6981174), wk = 0.0022026 k( 194) = ( 0.0000000 0.0000000 0.7101539), wk = 0.0022026 k( 195) = ( 0.0000000 0.0000000 0.7221904), wk = 0.0022026 k( 196) = ( 0.0000000 0.0000000 0.7342269), wk = 0.0022026 k( 197) = ( 0.0000000 0.0000000 0.7342269), wk = 0.0022026 k( 198) = ( 0.0104167 0.0060141 0.7342269), wk = 0.0022026 k( 199) = ( 0.0208333 0.0120281 0.7342269), wk = 0.0022026 k( 200) = ( 0.0312500 0.0180422 0.7342269), wk = 0.0022026 k( 201) = ( 0.0416667 0.0240563 0.7342269), wk = 0.0022026 k( 202) = ( 0.0520833 0.0300703 0.7342269), wk = 0.0022026 k( 203) = ( 0.0625000 0.0360844 0.7342269), wk = 0.0022026 k( 204) = ( 0.0729167 0.0420985 0.7342269), wk = 0.0022026 k( 205) = ( 0.0833333 0.0481125 0.7342269), wk = 0.0022026 k( 206) = ( 0.0937500 0.0541266 0.7342269), wk = 0.0022026 k( 207) = ( 0.1041667 0.0601407 0.7342269), wk = 0.0022026 k( 208) = ( 0.1145833 0.0661547 0.7342269), wk = 0.0022026 k( 209) = ( 0.1250000 0.0721688 0.7342269), wk = 0.0022026 k( 210) = ( 0.1354167 0.0781829 0.7342269), wk = 0.0022026 k( 211) = ( 0.1458333 0.0841969 0.7342269), wk = 0.0022026 k( 212) = ( 0.1562500 0.0902110 0.7342269), wk = 0.0022026 k( 213) = ( 0.1666667 0.0962250 0.7342269), wk = 0.0022026 k( 214) = ( 0.1770833 0.1022391 0.7342269), wk = 0.0022026 k( 215) = ( 0.1875000 0.1082532 0.7342269), wk = 0.0022026 k( 216) = ( 0.1979167 0.1142672 0.7342269), wk = 0.0022026 k( 217) = ( 0.2083333 0.1202813 0.7342269), wk = 0.0022026 k( 218) = ( 0.2187500 0.1262954 0.7342269), wk = 0.0022026 k( 219) = ( 0.2291667 0.1323094 0.7342269), wk = 0.0022026 k( 220) = ( 0.2395833 0.1383235 0.7342269), wk = 0.0022026 k( 221) = ( 0.2500000 0.1443376 0.7342269), wk = 0.0022026 k( 222) = ( 0.2604167 0.1503516 0.7342269), wk = 0.0022026 k( 223) = ( 0.2708333 0.1563657 0.7342269), wk = 0.0022026 k( 224) = ( 0.2812500 0.1623798 0.7342269), wk = 0.0022026 k( 225) = ( 0.2916667 0.1683938 0.7342269), wk = 0.0022026 k( 226) = ( 0.3020833 0.1744079 0.7342269), wk = 0.0022026 k( 227) = ( 0.3125000 0.1804220 0.7342269), wk = 0.0022026 k( 228) = ( 0.3229167 0.1864360 0.7342269), wk = 0.0022026 k( 229) = ( 0.3333333 0.1924501 0.7342269), wk = 0.0022026 k( 230) = ( 0.3437500 0.1984642 0.7342269), wk = 0.0022026 k( 231) = ( 0.3541667 0.2044782 0.7342269), wk = 0.0022026 k( 232) = ( 0.3645833 0.2104923 0.7342269), wk = 0.0022026 k( 233) = ( 0.3750000 0.2165064 0.7342269), wk = 0.0022026 k( 234) = ( 0.3854167 0.2225204 0.7342269), wk = 0.0022026 k( 235) = ( 0.3958333 0.2285345 0.7342269), wk = 0.0022026 k( 236) = ( 0.4062500 0.2345485 0.7342269), wk = 0.0022026 k( 237) = ( 0.4166667 0.2405626 0.7342269), wk = 0.0022026 k( 238) = ( 0.4270833 0.2465767 0.7342269), wk = 0.0022026 k( 239) = ( 0.4375000 0.2525907 0.7342269), wk = 0.0022026 k( 240) = ( 0.4479167 0.2586048 0.7342269), wk = 0.0022026 k( 241) = ( 0.4583333 0.2646189 0.7342269), wk = 0.0022026 k( 242) = ( 0.4687500 0.2706329 0.7342269), wk = 0.0022026 k( 243) = ( 0.4791667 0.2766470 0.7342269), wk = 0.0022026 k( 244) = ( 0.4895833 0.2826611 0.7342269), wk = 0.0022026 k( 245) = ( 0.5000000 0.2886751 0.7342269), wk = 0.0022026 k( 246) = ( 0.5000000 0.2886751 0.7342269), wk = 0.0022026 k( 247) = ( 0.4940476 0.2989850 0.7342269), wk = 0.0022026 k( 248) = ( 0.4880952 0.3092948 0.7342269), wk = 0.0022026 k( 249) = ( 0.4821429 0.3196046 0.7342269), wk = 0.0022026 k( 250) = ( 0.4761905 0.3299144 0.7342269), wk = 0.0022026 k( 251) = ( 0.4702381 0.3402243 0.7342269), wk = 0.0022026 k( 252) = ( 0.4642857 0.3505341 0.7342269), wk = 0.0022026 k( 253) = ( 0.4583333 0.3608439 0.7342269), wk = 0.0022026 k( 254) = ( 0.4523810 0.3711537 0.7342269), wk = 0.0022026 k( 255) = ( 0.4464286 0.3814636 0.7342269), wk = 0.0022026 k( 256) = ( 0.4404762 0.3917734 0.7342269), wk = 0.0022026 k( 257) = ( 0.4345238 0.4020832 0.7342269), wk = 0.0022026 k( 258) = ( 0.4285714 0.4123930 0.7342269), wk = 0.0022026 k( 259) = ( 0.4226190 0.4227029 0.7342269), wk = 0.0022026 k( 260) = ( 0.4166667 0.4330127 0.7342269), wk = 0.0022026 k( 261) = ( 0.4107143 0.4433225 0.7342269), wk = 0.0022026 k( 262) = ( 0.4047619 0.4536324 0.7342269), wk = 0.0022026 k( 263) = ( 0.3988095 0.4639422 0.7342269), wk = 0.0022026 k( 264) = ( 0.3928571 0.4742520 0.7342269), wk = 0.0022026 k( 265) = ( 0.3869048 0.4845618 0.7342269), wk = 0.0022026 k( 266) = ( 0.3809524 0.4948717 0.7342269), wk = 0.0022026 k( 267) = ( 0.3750000 0.5051815 0.7342269), wk = 0.0022026 k( 268) = ( 0.3690476 0.5154913 0.7342269), wk = 0.0022026 k( 269) = ( 0.3630952 0.5258011 0.7342269), wk = 0.0022026 k( 270) = ( 0.3571429 0.5361110 0.7342269), wk = 0.0022026 k( 271) = ( 0.3511905 0.5464208 0.7342269), wk = 0.0022026 k( 272) = ( 0.3452381 0.5567306 0.7342269), wk = 0.0022026 k( 273) = ( 0.3392857 0.5670404 0.7342269), wk = 0.0022026 k( 274) = ( 0.3333333 0.5773503 0.7342269), wk = 0.0022026 k( 275) = ( 0.3333333 0.5773503 0.7342269), wk = 0.0022026 k( 276) = ( 0.3272727 0.5668530 0.7342269), wk = 0.0022026 k( 277) = ( 0.3212121 0.5563557 0.7342269), wk = 0.0022026 k( 278) = ( 0.3151515 0.5458584 0.7342269), wk = 0.0022026 k( 279) = ( 0.3090909 0.5353612 0.7342269), wk = 0.0022026 k( 280) = ( 0.3030303 0.5248639 0.7342269), wk = 0.0022026 k( 281) = ( 0.2969697 0.5143666 0.7342269), wk = 0.0022026 k( 282) = ( 0.2909091 0.5038693 0.7342269), wk = 0.0022026 k( 283) = ( 0.2848485 0.4933720 0.7342269), wk = 0.0022026 k( 284) = ( 0.2787879 0.4828748 0.7342269), wk = 0.0022026 k( 285) = ( 0.2727273 0.4723775 0.7342269), wk = 0.0022026 k( 286) = ( 0.2666667 0.4618802 0.7342269), wk = 0.0022026 k( 287) = ( 0.2606061 0.4513829 0.7342269), wk = 0.0022026 k( 288) = ( 0.2545455 0.4408857 0.7342269), wk = 0.0022026 k( 289) = ( 0.2484849 0.4303884 0.7342269), wk = 0.0022026 k( 290) = ( 0.2424242 0.4198911 0.7342269), wk = 0.0022026 k( 291) = ( 0.2363636 0.4093938 0.7342269), wk = 0.0022026 k( 292) = ( 0.2303030 0.3988965 0.7342269), wk = 0.0022026 k( 293) = ( 0.2242424 0.3883993 0.7342269), wk = 0.0022026 k( 294) = ( 0.2181818 0.3779020 0.7342269), wk = 0.0022026 k( 295) = ( 0.2121212 0.3674047 0.7342269), wk = 0.0022026 k( 296) = ( 0.2060606 0.3569074 0.7342269), wk = 0.0022026 k( 297) = ( 0.2000000 0.3464102 0.7342269), wk = 0.0022026 k( 298) = ( 0.1939394 0.3359129 0.7342269), wk = 0.0022026 k( 299) = ( 0.1878788 0.3254156 0.7342269), wk = 0.0022026 k( 300) = ( 0.1818182 0.3149183 0.7342269), wk = 0.0022026 k( 301) = ( 0.1757576 0.3044211 0.7342269), wk = 0.0022026 k( 302) = ( 0.1696970 0.2939238 0.7342269), wk = 0.0022026 k( 303) = ( 0.1636364 0.2834265 0.7342269), wk = 0.0022026 k( 304) = ( 0.1575758 0.2729292 0.7342269), wk = 0.0022026 k( 305) = ( 0.1515151 0.2624319 0.7342269), wk = 0.0022026 k( 306) = ( 0.1454545 0.2519347 0.7342269), wk = 0.0022026 k( 307) = ( 0.1393939 0.2414374 0.7342269), wk = 0.0022026 k( 308) = ( 0.1333333 0.2309401 0.7342269), wk = 0.0022026 k( 309) = ( 0.1272727 0.2204428 0.7342269), wk = 0.0022026 k( 310) = ( 0.1212121 0.2099456 0.7342269), wk = 0.0022026 k( 311) = ( 0.1151515 0.1994483 0.7342269), wk = 0.0022026 k( 312) = ( 0.1090909 0.1889510 0.7342269), wk = 0.0022026 k( 313) = ( 0.1030303 0.1784537 0.7342269), wk = 0.0022026 k( 314) = ( 0.0969697 0.1679564 0.7342269), wk = 0.0022026 k( 315) = ( 0.0909091 0.1574592 0.7342269), wk = 0.0022026 k( 316) = ( 0.0848485 0.1469619 0.7342269), wk = 0.0022026 k( 317) = ( 0.0787879 0.1364646 0.7342269), wk = 0.0022026 k( 318) = ( 0.0727273 0.1259673 0.7342269), wk = 0.0022026 k( 319) = ( 0.0666667 0.1154701 0.7342269), wk = 0.0022026 k( 320) = ( 0.0606061 0.1049728 0.7342269), wk = 0.0022026 k( 321) = ( 0.0545455 0.0944755 0.7342269), wk = 0.0022026 k( 322) = ( 0.0484849 0.0839782 0.7342269), wk = 0.0022026 k( 323) = ( 0.0424242 0.0734809 0.7342269), wk = 0.0022026 k( 324) = ( 0.0363636 0.0629837 0.7342269), wk = 0.0022026 k( 325) = ( 0.0303030 0.0524864 0.7342269), wk = 0.0022026 k( 326) = ( 0.0242424 0.0419891 0.7342269), wk = 0.0022026 k( 327) = ( 0.0181818 0.0314918 0.7342269), wk = 0.0022026 k( 328) = ( 0.0121212 0.0209946 0.7342269), wk = 0.0022026 k( 329) = ( 0.0060606 0.0104973 0.7342269), wk = 0.0022026 k( 330) = ( 0.0000000 0.0000000 0.7342269), wk = 0.0022026 k( 331) = ( 0.5000000 0.2886751 0.7342269), wk = 0.0022026 k( 332) = ( 0.5000000 0.2886751 0.7221904), wk = 0.0022026 k( 333) = ( 0.5000000 0.2886751 0.7101539), wk = 0.0022026 k( 334) = ( 0.5000000 0.2886751 0.6981174), wk = 0.0022026 k( 335) = ( 0.5000000 0.2886751 0.6860809), wk = 0.0022026 k( 336) = ( 0.5000000 0.2886751 0.6740444), wk = 0.0022026 k( 337) = ( 0.5000000 0.2886751 0.6620079), wk = 0.0022026 k( 338) = ( 0.5000000 0.2886751 0.6499714), wk = 0.0022026 k( 339) = ( 0.5000000 0.2886751 0.6379349), wk = 0.0022026 k( 340) = ( 0.5000000 0.2886751 0.6258984), wk = 0.0022026 k( 341) = ( 0.5000000 0.2886751 0.6138619), wk = 0.0022026 k( 342) = ( 0.5000000 0.2886751 0.6018254), wk = 0.0022026 k( 343) = ( 0.5000000 0.2886751 0.5897888), wk = 0.0022026 k( 344) = ( 0.5000000 0.2886751 0.5777523), wk = 0.0022026 k( 345) = ( 0.5000000 0.2886751 0.5657158), wk = 0.0022026 k( 346) = ( 0.5000000 0.2886751 0.5536793), wk = 0.0022026 k( 347) = ( 0.5000000 0.2886751 0.5416428), wk = 0.0022026 k( 348) = ( 0.5000000 0.2886751 0.5296063), wk = 0.0022026 k( 349) = ( 0.5000000 0.2886751 0.5175698), wk = 0.0022026 k( 350) = ( 0.5000000 0.2886751 0.5055333), wk = 0.0022026 k( 351) = ( 0.5000000 0.2886751 0.4934968), wk = 0.0022026 k( 352) = ( 0.5000000 0.2886751 0.4814603), wk = 0.0022026 k( 353) = ( 0.5000000 0.2886751 0.4694238), wk = 0.0022026 k( 354) = ( 0.5000000 0.2886751 0.4573873), wk = 0.0022026 k( 355) = ( 0.5000000 0.2886751 0.4453508), wk = 0.0022026 k( 356) = ( 0.5000000 0.2886751 0.4333143), wk = 0.0022026 k( 357) = ( 0.5000000 0.2886751 0.4212777), wk = 0.0022026 k( 358) = ( 0.5000000 0.2886751 0.4092412), wk = 0.0022026 k( 359) = ( 0.5000000 0.2886751 0.3972047), wk = 0.0022026 k( 360) = ( 0.5000000 0.2886751 0.3851682), wk = 0.0022026 k( 361) = ( 0.5000000 0.2886751 0.3731317), wk = 0.0022026 k( 362) = ( 0.5000000 0.2886751 0.3610952), wk = 0.0022026 k( 363) = ( 0.5000000 0.2886751 0.3490587), wk = 0.0022026 k( 364) = ( 0.5000000 0.2886751 0.3370222), wk = 0.0022026 k( 365) = ( 0.5000000 0.2886751 0.3249857), wk = 0.0022026 k( 366) = ( 0.5000000 0.2886751 0.3129492), wk = 0.0022026 k( 367) = ( 0.5000000 0.2886751 0.3009127), wk = 0.0022026 k( 368) = ( 0.5000000 0.2886751 0.2888762), wk = 0.0022026 k( 369) = ( 0.5000000 0.2886751 0.2768397), wk = 0.0022026 k( 370) = ( 0.5000000 0.2886751 0.2648032), wk = 0.0022026 k( 371) = ( 0.5000000 0.2886751 0.2527666), wk = 0.0022026 k( 372) = ( 0.5000000 0.2886751 0.2407301), wk = 0.0022026 k( 373) = ( 0.5000000 0.2886751 0.2286936), wk = 0.0022026 k( 374) = ( 0.5000000 0.2886751 0.2166571), wk = 0.0022026 k( 375) = ( 0.5000000 0.2886751 0.2046206), wk = 0.0022026 k( 376) = ( 0.5000000 0.2886751 0.1925841), wk = 0.0022026 k( 377) = ( 0.5000000 0.2886751 0.1805476), wk = 0.0022026 k( 378) = ( 0.5000000 0.2886751 0.1685111), wk = 0.0022026 k( 379) = ( 0.5000000 0.2886751 0.1564746), wk = 0.0022026 k( 380) = ( 0.5000000 0.2886751 0.1444381), wk = 0.0022026 k( 381) = ( 0.5000000 0.2886751 0.1324016), wk = 0.0022026 k( 382) = ( 0.5000000 0.2886751 0.1203651), wk = 0.0022026 k( 383) = ( 0.5000000 0.2886751 0.1083286), wk = 0.0022026 k( 384) = ( 0.5000000 0.2886751 0.0962921), wk = 0.0022026 k( 385) = ( 0.5000000 0.2886751 0.0842555), wk = 0.0022026 k( 386) = ( 0.5000000 0.2886751 0.0722190), wk = 0.0022026 k( 387) = ( 0.5000000 0.2886751 0.0601825), wk = 0.0022026 k( 388) = ( 0.5000000 0.2886751 0.0481460), wk = 0.0022026 k( 389) = ( 0.5000000 0.2886751 0.0361095), wk = 0.0022026 k( 390) = ( 0.5000000 0.2886751 0.0240730), wk = 0.0022026 k( 391) = ( 0.5000000 0.2886751 0.0120365), wk = 0.0022026 k( 392) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0022026 k( 393) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0022026 k( 394) = ( 0.3333333 0.5773503 0.0120365), wk = 0.0022026 k( 395) = ( 0.3333333 0.5773503 0.0240730), wk = 0.0022026 k( 396) = ( 0.3333333 0.5773503 0.0361095), wk = 0.0022026 k( 397) = ( 0.3333333 0.5773503 0.0481460), wk = 0.0022026 k( 398) = ( 0.3333333 0.5773503 0.0601825), wk = 0.0022026 k( 399) = ( 0.3333333 0.5773503 0.0722190), wk = 0.0022026 k( 400) = ( 0.3333333 0.5773503 0.0842555), wk = 0.0022026 k( 401) = ( 0.3333333 0.5773503 0.0962921), wk = 0.0022026 k( 402) = ( 0.3333333 0.5773503 0.1083286), wk = 0.0022026 k( 403) = ( 0.3333333 0.5773503 0.1203651), wk = 0.0022026 k( 404) = ( 0.3333333 0.5773503 0.1324016), wk = 0.0022026 k( 405) = ( 0.3333333 0.5773503 0.1444381), wk = 0.0022026 k( 406) = ( 0.3333333 0.5773503 0.1564746), wk = 0.0022026 k( 407) = ( 0.3333333 0.5773503 0.1685111), wk = 0.0022026 k( 408) = ( 0.3333333 0.5773503 0.1805476), wk = 0.0022026 k( 409) = ( 0.3333333 0.5773503 0.1925841), wk = 0.0022026 k( 410) = ( 0.3333333 0.5773503 0.2046206), wk = 0.0022026 k( 411) = ( 0.3333333 0.5773503 0.2166571), wk = 0.0022026 k( 412) = ( 0.3333333 0.5773503 0.2286936), wk = 0.0022026 k( 413) = ( 0.3333333 0.5773503 0.2407301), wk = 0.0022026 k( 414) = ( 0.3333333 0.5773503 0.2527666), wk = 0.0022026 k( 415) = ( 0.3333333 0.5773503 0.2648032), wk = 0.0022026 k( 416) = ( 0.3333333 0.5773503 0.2768397), wk = 0.0022026 k( 417) = ( 0.3333333 0.5773503 0.2888762), wk = 0.0022026 k( 418) = ( 0.3333333 0.5773503 0.3009127), wk = 0.0022026 k( 419) = ( 0.3333333 0.5773503 0.3129492), wk = 0.0022026 k( 420) = ( 0.3333333 0.5773503 0.3249857), wk = 0.0022026 k( 421) = ( 0.3333333 0.5773503 0.3370222), wk = 0.0022026 k( 422) = ( 0.3333333 0.5773503 0.3490587), wk = 0.0022026 k( 423) = ( 0.3333333 0.5773503 0.3610952), wk = 0.0022026 k( 424) = ( 0.3333333 0.5773503 0.3731317), wk = 0.0022026 k( 425) = ( 0.3333333 0.5773503 0.3851682), wk = 0.0022026 k( 426) = ( 0.3333333 0.5773503 0.3972047), wk = 0.0022026 k( 427) = ( 0.3333333 0.5773503 0.4092412), wk = 0.0022026 k( 428) = ( 0.3333333 0.5773503 0.4212777), wk = 0.0022026 k( 429) = ( 0.3333333 0.5773503 0.4333143), wk = 0.0022026 k( 430) = ( 0.3333333 0.5773503 0.4453508), wk = 0.0022026 k( 431) = ( 0.3333333 0.5773503 0.4573873), wk = 0.0022026 k( 432) = ( 0.3333333 0.5773503 0.4694238), wk = 0.0022026 k( 433) = ( 0.3333333 0.5773503 0.4814603), wk = 0.0022026 k( 434) = ( 0.3333333 0.5773503 0.4934968), wk = 0.0022026 k( 435) = ( 0.3333333 0.5773503 0.5055333), wk = 0.0022026 k( 436) = ( 0.3333333 0.5773503 0.5175698), wk = 0.0022026 k( 437) = ( 0.3333333 0.5773503 0.5296063), wk = 0.0022026 k( 438) = ( 0.3333333 0.5773503 0.5416428), wk = 0.0022026 k( 439) = ( 0.3333333 0.5773503 0.5536793), wk = 0.0022026 k( 440) = ( 0.3333333 0.5773503 0.5657158), wk = 0.0022026 k( 441) = ( 0.3333333 0.5773503 0.5777523), wk = 0.0022026 k( 442) = ( 0.3333333 0.5773503 0.5897888), wk = 0.0022026 k( 443) = ( 0.3333333 0.5773503 0.6018254), wk = 0.0022026 k( 444) = ( 0.3333333 0.5773503 0.6138619), wk = 0.0022026 k( 445) = ( 0.3333333 0.5773503 0.6258984), wk = 0.0022026 k( 446) = ( 0.3333333 0.5773503 0.6379349), wk = 0.0022026 k( 447) = ( 0.3333333 0.5773503 0.6499714), wk = 0.0022026 k( 448) = ( 0.3333333 0.5773503 0.6620079), wk = 0.0022026 k( 449) = ( 0.3333333 0.5773503 0.6740444), wk = 0.0022026 k( 450) = ( 0.3333333 0.5773503 0.6860809), wk = 0.0022026 k( 451) = ( 0.3333333 0.5773503 0.6981174), wk = 0.0022026 k( 452) = ( 0.3333333 0.5773503 0.7101539), wk = 0.0022026 k( 453) = ( 0.3333333 0.5773503 0.7221904), wk = 0.0022026 k( 454) = ( 0.3333333 0.5773503 0.7342269), wk = 0.0022026 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022026 k( 2) = ( 0.0104167 -0.0000000 0.0000000), wk = 0.0022026 k( 3) = ( 0.0208333 -0.0000000 -0.0000000), wk = 0.0022026 k( 4) = ( 0.0312500 0.0000000 -0.0000000), wk = 0.0022026 k( 5) = ( 0.0416667 -0.0000000 0.0000000), wk = 0.0022026 k( 6) = ( 0.0520833 0.0000000 0.0000000), wk = 0.0022026 k( 7) = ( 0.0625000 0.0000000 -0.0000000), wk = 0.0022026 k( 8) = ( 0.0729167 0.0000000 0.0000000), wk = 0.0022026 k( 9) = ( 0.0833333 -0.0000000 0.0000000), wk = 0.0022026 k( 10) = ( 0.0937500 0.0000000 0.0000000), wk = 0.0022026 k( 11) = ( 0.1041667 0.0000000 0.0000000), wk = 0.0022026 k( 12) = ( 0.1145833 -0.0000000 0.0000000), wk = 0.0022026 k( 13) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0022026 k( 14) = ( 0.1354167 0.0000000 0.0000000), wk = 0.0022026 k( 15) = ( 0.1458333 -0.0000000 -0.0000000), wk = 0.0022026 k( 16) = ( 0.1562500 -0.0000000 0.0000000), wk = 0.0022026 k( 17) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0022026 k( 18) = ( 0.1770833 -0.0000000 0.0000000), wk = 0.0022026 k( 19) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0022026 k( 20) = ( 0.1979167 0.0000000 0.0000000), wk = 0.0022026 k( 21) = ( 0.2083333 0.0000000 0.0000000), wk = 0.0022026 k( 22) = ( 0.2187500 0.0000000 0.0000000), wk = 0.0022026 k( 23) = ( 0.2291667 0.0000000 0.0000000), wk = 0.0022026 k( 24) = ( 0.2395833 -0.0000000 0.0000000), wk = 0.0022026 k( 25) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0022026 k( 26) = ( 0.2604167 0.0000000 0.0000000), wk = 0.0022026 k( 27) = ( 0.2708333 0.0000000 0.0000000), wk = 0.0022026 k( 28) = ( 0.2812500 0.0000000 0.0000000), wk = 0.0022026 k( 29) = ( 0.2916667 0.0000000 0.0000000), wk = 0.0022026 k( 30) = ( 0.3020833 0.0000000 0.0000000), wk = 0.0022026 k( 31) = ( 0.3125000 -0.0000000 0.0000000), wk = 0.0022026 k( 32) = ( 0.3229167 0.0000000 -0.0000000), wk = 0.0022026 k( 33) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0022026 k( 34) = ( 0.3437500 -0.0000000 0.0000000), wk = 0.0022026 k( 35) = ( 0.3541667 -0.0000000 0.0000000), wk = 0.0022026 k( 36) = ( 0.3645833 -0.0000000 0.0000000), wk = 0.0022026 k( 37) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0022026 k( 38) = ( 0.3854167 0.0000000 -0.0000000), wk = 0.0022026 k( 39) = ( 0.3958333 0.0000000 0.0000000), wk = 0.0022026 k( 40) = ( 0.4062500 0.0000000 0.0000000), wk = 0.0022026 k( 41) = ( 0.4166667 0.0000000 -0.0000000), wk = 0.0022026 k( 42) = ( 0.4270833 -0.0000000 0.0000000), wk = 0.0022026 k( 43) = ( 0.4375000 0.0000000 0.0000000), wk = 0.0022026 k( 44) = ( 0.4479167 0.0000000 0.0000000), wk = 0.0022026 k( 45) = ( 0.4583333 0.0000000 0.0000000), wk = 0.0022026 k( 46) = ( 0.4687500 -0.0000000 -0.0000000), wk = 0.0022026 k( 47) = ( 0.4791667 -0.0000000 0.0000000), wk = 0.0022026 k( 48) = ( 0.4895833 -0.0000000 0.0000000), wk = 0.0022026 k( 49) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0022026 k( 50) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0022026 k( 51) = ( 0.4940476 0.0119048 0.0000000), wk = 0.0022026 k( 52) = ( 0.4880952 0.0238095 0.0000000), wk = 0.0022026 k( 53) = ( 0.4821429 0.0357143 -0.0000000), wk = 0.0022026 k( 54) = ( 0.4761905 0.0476191 0.0000000), wk = 0.0022026 k( 55) = ( 0.4702381 0.0595238 -0.0000000), wk = 0.0022026 k( 56) = ( 0.4642857 0.0714286 -0.0000000), wk = 0.0022026 k( 57) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0022026 k( 58) = ( 0.4523810 0.0952381 0.0000000), wk = 0.0022026 k( 59) = ( 0.4464286 0.1071429 0.0000000), wk = 0.0022026 k( 60) = ( 0.4404762 0.1190476 0.0000000), wk = 0.0022026 k( 61) = ( 0.4345238 0.1309524 -0.0000000), wk = 0.0022026 k( 62) = ( 0.4285714 0.1428571 0.0000000), wk = 0.0022026 k( 63) = ( 0.4226190 0.1547619 0.0000000), wk = 0.0022026 k( 64) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0022026 k( 65) = ( 0.4107143 0.1785714 -0.0000000), wk = 0.0022026 k( 66) = ( 0.4047619 0.1904762 -0.0000000), wk = 0.0022026 k( 67) = ( 0.3988095 0.2023810 0.0000000), wk = 0.0022026 k( 68) = ( 0.3928571 0.2142857 0.0000000), wk = 0.0022026 k( 69) = ( 0.3869048 0.2261905 0.0000000), wk = 0.0022026 k( 70) = ( 0.3809524 0.2380952 0.0000000), wk = 0.0022026 k( 71) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0022026 k( 72) = ( 0.3690476 0.2619048 0.0000000), wk = 0.0022026 k( 73) = ( 0.3630952 0.2738095 0.0000000), wk = 0.0022026 k( 74) = ( 0.3571429 0.2857143 0.0000000), wk = 0.0022026 k( 75) = ( 0.3511905 0.2976190 0.0000000), wk = 0.0022026 k( 76) = ( 0.3452381 0.3095238 -0.0000000), wk = 0.0022026 k( 77) = ( 0.3392857 0.3214286 -0.0000000), wk = 0.0022026 k( 78) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0022026 k( 79) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0022026 k( 80) = ( 0.3272727 0.3272727 0.0000000), wk = 0.0022026 k( 81) = ( 0.3212121 0.3212121 0.0000000), wk = 0.0022026 k( 82) = ( 0.3151515 0.3151515 -0.0000000), wk = 0.0022026 k( 83) = ( 0.3090909 0.3090909 0.0000000), wk = 0.0022026 k( 84) = ( 0.3030303 0.3030303 -0.0000000), wk = 0.0022026 k( 85) = ( 0.2969697 0.2969697 0.0000000), wk = 0.0022026 k( 86) = ( 0.2909091 0.2909091 0.0000000), wk = 0.0022026 k( 87) = ( 0.2848485 0.2848485 0.0000000), wk = 0.0022026 k( 88) = ( 0.2787879 0.2787879 0.0000000), wk = 0.0022026 k( 89) = ( 0.2727273 0.2727273 -0.0000000), wk = 0.0022026 k( 90) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0022026 k( 91) = ( 0.2606061 0.2606061 0.0000000), wk = 0.0022026 k( 92) = ( 0.2545455 0.2545455 -0.0000000), wk = 0.0022026 k( 93) = ( 0.2484849 0.2484849 -0.0000000), wk = 0.0022026 k( 94) = ( 0.2424242 0.2424242 0.0000000), wk = 0.0022026 k( 95) = ( 0.2363636 0.2363636 0.0000000), wk = 0.0022026 k( 96) = ( 0.2303030 0.2303030 0.0000000), wk = 0.0022026 k( 97) = ( 0.2242424 0.2242424 -0.0000000), wk = 0.0022026 k( 98) = ( 0.2181818 0.2181818 -0.0000000), wk = 0.0022026 k( 99) = ( 0.2121212 0.2121212 0.0000000), wk = 0.0022026 k( 100) = ( 0.2060606 0.2060606 0.0000000), wk = 0.0022026 k( 101) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0022026 k( 102) = ( 0.1939394 0.1939394 0.0000000), wk = 0.0022026 k( 103) = ( 0.1878788 0.1878788 0.0000000), wk = 0.0022026 k( 104) = ( 0.1818182 0.1818182 0.0000000), wk = 0.0022026 k( 105) = ( 0.1757576 0.1757576 -0.0000000), wk = 0.0022026 k( 106) = ( 0.1696970 0.1696970 -0.0000000), wk = 0.0022026 k( 107) = ( 0.1636364 0.1636364 0.0000000), wk = 0.0022026 k( 108) = ( 0.1575758 0.1575758 -0.0000000), wk = 0.0022026 k( 109) = ( 0.1515151 0.1515151 -0.0000000), wk = 0.0022026 k( 110) = ( 0.1454545 0.1454545 -0.0000000), wk = 0.0022026 k( 111) = ( 0.1393939 0.1393939 0.0000000), wk = 0.0022026 k( 112) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0022026 k( 113) = ( 0.1272727 0.1272727 -0.0000000), wk = 0.0022026 k( 114) = ( 0.1212121 0.1212121 0.0000000), wk = 0.0022026 k( 115) = ( 0.1151515 0.1151515 0.0000000), wk = 0.0022026 k( 116) = ( 0.1090909 0.1090909 -0.0000000), wk = 0.0022026 k( 117) = ( 0.1030303 0.1030303 -0.0000000), wk = 0.0022026 k( 118) = ( 0.0969697 0.0969697 -0.0000000), wk = 0.0022026 k( 119) = ( 0.0909091 0.0909091 0.0000000), wk = 0.0022026 k( 120) = ( 0.0848485 0.0848485 0.0000000), wk = 0.0022026 k( 121) = ( 0.0787879 0.0787879 -0.0000000), wk = 0.0022026 k( 122) = ( 0.0727273 0.0727273 0.0000000), wk = 0.0022026 k( 123) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0022026 k( 124) = ( 0.0606061 0.0606061 0.0000000), wk = 0.0022026 k( 125) = ( 0.0545455 0.0545455 -0.0000000), wk = 0.0022026 k( 126) = ( 0.0484849 0.0484849 -0.0000000), wk = 0.0022026 k( 127) = ( 0.0424242 0.0424242 0.0000000), wk = 0.0022026 k( 128) = ( 0.0363636 0.0363636 -0.0000000), wk = 0.0022026 k( 129) = ( 0.0303030 0.0303030 0.0000000), wk = 0.0022026 k( 130) = ( 0.0242424 0.0242424 0.0000000), wk = 0.0022026 k( 131) = ( 0.0181818 0.0181818 -0.0000000), wk = 0.0022026 k( 132) = ( 0.0121212 0.0121212 0.0000000), wk = 0.0022026 k( 133) = ( 0.0060606 0.0060606 0.0000000), wk = 0.0022026 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022026 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022026 k( 136) = ( 0.0000000 0.0000000 0.0081967), wk = 0.0022026 k( 137) = ( 0.0000000 0.0000000 0.0163934), wk = 0.0022026 k( 138) = ( 0.0000000 0.0000000 0.0245902), wk = 0.0022026 k( 139) = ( 0.0000000 0.0000000 0.0327869), wk = 0.0022026 k( 140) = ( 0.0000000 0.0000000 0.0409836), wk = 0.0022026 k( 141) = ( 0.0000000 0.0000000 0.0491803), wk = 0.0022026 k( 142) = ( 0.0000000 0.0000000 0.0573770), wk = 0.0022026 k( 143) = ( 0.0000000 0.0000000 0.0655738), wk = 0.0022026 k( 144) = ( 0.0000000 0.0000000 0.0737705), wk = 0.0022026 k( 145) = ( 0.0000000 0.0000000 0.0819672), wk = 0.0022026 k( 146) = ( 0.0000000 0.0000000 0.0901639), wk = 0.0022026 k( 147) = ( 0.0000000 0.0000000 0.0983607), wk = 0.0022026 k( 148) = ( 0.0000000 0.0000000 0.1065574), wk = 0.0022026 k( 149) = ( 0.0000000 0.0000000 0.1147541), wk = 0.0022026 k( 150) = ( 0.0000000 0.0000000 0.1229508), wk = 0.0022026 k( 151) = ( 0.0000000 0.0000000 0.1311475), wk = 0.0022026 k( 152) = ( 0.0000000 0.0000000 0.1393443), wk = 0.0022026 k( 153) = ( 0.0000000 0.0000000 0.1475410), wk = 0.0022026 k( 154) = ( 0.0000000 0.0000000 0.1557377), wk = 0.0022026 k( 155) = ( 0.0000000 0.0000000 0.1639344), wk = 0.0022026 k( 156) = ( 0.0000000 0.0000000 0.1721312), wk = 0.0022026 k( 157) = ( 0.0000000 0.0000000 0.1803279), wk = 0.0022026 k( 158) = ( 0.0000000 0.0000000 0.1885246), wk = 0.0022026 k( 159) = ( 0.0000000 0.0000000 0.1967213), wk = 0.0022026 k( 160) = ( 0.0000000 0.0000000 0.2049180), wk = 0.0022026 k( 161) = ( 0.0000000 0.0000000 0.2131147), wk = 0.0022026 k( 162) = ( 0.0000000 0.0000000 0.2213115), wk = 0.0022026 k( 163) = ( 0.0000000 0.0000000 0.2295082), wk = 0.0022026 k( 164) = ( 0.0000000 0.0000000 0.2377049), wk = 0.0022026 k( 165) = ( 0.0000000 0.0000000 0.2459016), wk = 0.0022026 k( 166) = ( 0.0000000 0.0000000 0.2540984), wk = 0.0022026 k( 167) = ( 0.0000000 0.0000000 0.2622951), wk = 0.0022026 k( 168) = ( 0.0000000 0.0000000 0.2704918), wk = 0.0022026 k( 169) = ( 0.0000000 0.0000000 0.2786885), wk = 0.0022026 k( 170) = ( 0.0000000 0.0000000 0.2868852), wk = 0.0022026 k( 171) = ( 0.0000000 0.0000000 0.2950820), wk = 0.0022026 k( 172) = ( 0.0000000 0.0000000 0.3032787), wk = 0.0022026 k( 173) = ( 0.0000000 0.0000000 0.3114754), wk = 0.0022026 k( 174) = ( 0.0000000 0.0000000 0.3196721), wk = 0.0022026 k( 175) = ( 0.0000000 0.0000000 0.3278688), wk = 0.0022026 k( 176) = ( 0.0000000 0.0000000 0.3360656), wk = 0.0022026 k( 177) = ( 0.0000000 0.0000000 0.3442623), wk = 0.0022026 k( 178) = ( 0.0000000 0.0000000 0.3524590), wk = 0.0022026 k( 179) = ( 0.0000000 0.0000000 0.3606557), wk = 0.0022026 k( 180) = ( 0.0000000 0.0000000 0.3688525), wk = 0.0022026 k( 181) = ( 0.0000000 0.0000000 0.3770492), wk = 0.0022026 k( 182) = ( 0.0000000 0.0000000 0.3852459), wk = 0.0022026 k( 183) = ( 0.0000000 0.0000000 0.3934426), wk = 0.0022026 k( 184) = ( 0.0000000 0.0000000 0.4016393), wk = 0.0022026 k( 185) = ( 0.0000000 0.0000000 0.4098361), wk = 0.0022026 k( 186) = ( 0.0000000 0.0000000 0.4180328), wk = 0.0022026 k( 187) = ( 0.0000000 0.0000000 0.4262295), wk = 0.0022026 k( 188) = ( 0.0000000 0.0000000 0.4344262), wk = 0.0022026 k( 189) = ( 0.0000000 0.0000000 0.4426229), wk = 0.0022026 k( 190) = ( 0.0000000 0.0000000 0.4508197), wk = 0.0022026 k( 191) = ( 0.0000000 0.0000000 0.4590164), wk = 0.0022026 k( 192) = ( 0.0000000 0.0000000 0.4672131), wk = 0.0022026 k( 193) = ( 0.0000000 0.0000000 0.4754098), wk = 0.0022026 k( 194) = ( 0.0000000 0.0000000 0.4836066), wk = 0.0022026 k( 195) = ( 0.0000000 0.0000000 0.4918033), wk = 0.0022026 k( 196) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022026 k( 197) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022026 k( 198) = ( 0.0104167 -0.0000000 0.5000000), wk = 0.0022026 k( 199) = ( 0.0208333 -0.0000000 0.5000000), wk = 0.0022026 k( 200) = ( 0.0312500 0.0000000 0.5000000), wk = 0.0022026 k( 201) = ( 0.0416667 -0.0000000 0.5000000), wk = 0.0022026 k( 202) = ( 0.0520833 0.0000000 0.5000000), wk = 0.0022026 k( 203) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0022026 k( 204) = ( 0.0729167 0.0000000 0.5000000), wk = 0.0022026 k( 205) = ( 0.0833333 -0.0000000 0.5000000), wk = 0.0022026 k( 206) = ( 0.0937500 0.0000000 0.5000000), wk = 0.0022026 k( 207) = ( 0.1041667 0.0000000 0.5000000), wk = 0.0022026 k( 208) = ( 0.1145833 -0.0000000 0.5000000), wk = 0.0022026 k( 209) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0022026 k( 210) = ( 0.1354167 0.0000000 0.5000000), wk = 0.0022026 k( 211) = ( 0.1458333 -0.0000000 0.5000000), wk = 0.0022026 k( 212) = ( 0.1562500 -0.0000000 0.5000000), wk = 0.0022026 k( 213) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0022026 k( 214) = ( 0.1770833 -0.0000000 0.5000000), wk = 0.0022026 k( 215) = ( 0.1875000 0.0000000 0.5000000), wk = 0.0022026 k( 216) = ( 0.1979167 0.0000000 0.5000000), wk = 0.0022026 k( 217) = ( 0.2083333 0.0000000 0.5000000), wk = 0.0022026 k( 218) = ( 0.2187500 0.0000000 0.5000000), wk = 0.0022026 k( 219) = ( 0.2291667 0.0000000 0.5000000), wk = 0.0022026 k( 220) = ( 0.2395833 -0.0000000 0.5000000), wk = 0.0022026 k( 221) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0022026 k( 222) = ( 0.2604167 0.0000000 0.5000000), wk = 0.0022026 k( 223) = ( 0.2708333 0.0000000 0.5000000), wk = 0.0022026 k( 224) = ( 0.2812500 0.0000000 0.5000000), wk = 0.0022026 k( 225) = ( 0.2916667 0.0000000 0.5000000), wk = 0.0022026 k( 226) = ( 0.3020833 0.0000000 0.5000000), wk = 0.0022026 k( 227) = ( 0.3125000 -0.0000000 0.5000000), wk = 0.0022026 k( 228) = ( 0.3229167 0.0000000 0.5000000), wk = 0.0022026 k( 229) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0022026 k( 230) = ( 0.3437500 -0.0000000 0.5000000), wk = 0.0022026 k( 231) = ( 0.3541667 -0.0000000 0.5000000), wk = 0.0022026 k( 232) = ( 0.3645833 -0.0000000 0.5000000), wk = 0.0022026 k( 233) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0022026 k( 234) = ( 0.3854167 0.0000000 0.5000000), wk = 0.0022026 k( 235) = ( 0.3958333 0.0000000 0.5000000), wk = 0.0022026 k( 236) = ( 0.4062500 0.0000000 0.5000000), wk = 0.0022026 k( 237) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0022026 k( 238) = ( 0.4270833 -0.0000000 0.5000000), wk = 0.0022026 k( 239) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0022026 k( 240) = ( 0.4479167 0.0000000 0.5000000), wk = 0.0022026 k( 241) = ( 0.4583333 0.0000000 0.5000000), wk = 0.0022026 k( 242) = ( 0.4687500 -0.0000000 0.5000000), wk = 0.0022026 k( 243) = ( 0.4791667 -0.0000000 0.5000000), wk = 0.0022026 k( 244) = ( 0.4895833 -0.0000000 0.5000000), wk = 0.0022026 k( 245) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022026 k( 246) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022026 k( 247) = ( 0.4940476 0.0119048 0.5000000), wk = 0.0022026 k( 248) = ( 0.4880952 0.0238095 0.5000000), wk = 0.0022026 k( 249) = ( 0.4821429 0.0357143 0.5000000), wk = 0.0022026 k( 250) = ( 0.4761905 0.0476191 0.5000000), wk = 0.0022026 k( 251) = ( 0.4702381 0.0595238 0.5000000), wk = 0.0022026 k( 252) = ( 0.4642857 0.0714286 0.5000000), wk = 0.0022026 k( 253) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0022026 k( 254) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0022026 k( 255) = ( 0.4464286 0.1071429 0.5000000), wk = 0.0022026 k( 256) = ( 0.4404762 0.1190476 0.5000000), wk = 0.0022026 k( 257) = ( 0.4345238 0.1309524 0.5000000), wk = 0.0022026 k( 258) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0022026 k( 259) = ( 0.4226190 0.1547619 0.5000000), wk = 0.0022026 k( 260) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0022026 k( 261) = ( 0.4107143 0.1785714 0.5000000), wk = 0.0022026 k( 262) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0022026 k( 263) = ( 0.3988095 0.2023810 0.5000000), wk = 0.0022026 k( 264) = ( 0.3928571 0.2142857 0.5000000), wk = 0.0022026 k( 265) = ( 0.3869048 0.2261905 0.5000000), wk = 0.0022026 k( 266) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0022026 k( 267) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0022026 k( 268) = ( 0.3690476 0.2619048 0.5000000), wk = 0.0022026 k( 269) = ( 0.3630952 0.2738095 0.5000000), wk = 0.0022026 k( 270) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0022026 k( 271) = ( 0.3511905 0.2976190 0.5000000), wk = 0.0022026 k( 272) = ( 0.3452381 0.3095238 0.5000000), wk = 0.0022026 k( 273) = ( 0.3392857 0.3214286 0.5000000), wk = 0.0022026 k( 274) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0022026 k( 275) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0022026 k( 276) = ( 0.3272727 0.3272727 0.5000000), wk = 0.0022026 k( 277) = ( 0.3212121 0.3212121 0.5000000), wk = 0.0022026 k( 278) = ( 0.3151515 0.3151515 0.5000000), wk = 0.0022026 k( 279) = ( 0.3090909 0.3090909 0.5000000), wk = 0.0022026 k( 280) = ( 0.3030303 0.3030303 0.5000000), wk = 0.0022026 k( 281) = ( 0.2969697 0.2969697 0.5000000), wk = 0.0022026 k( 282) = ( 0.2909091 0.2909091 0.5000000), wk = 0.0022026 k( 283) = ( 0.2848485 0.2848485 0.5000000), wk = 0.0022026 k( 284) = ( 0.2787879 0.2787879 0.5000000), wk = 0.0022026 k( 285) = ( 0.2727273 0.2727273 0.5000000), wk = 0.0022026 k( 286) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0022026 k( 287) = ( 0.2606061 0.2606061 0.5000000), wk = 0.0022026 k( 288) = ( 0.2545455 0.2545455 0.5000000), wk = 0.0022026 k( 289) = ( 0.2484849 0.2484849 0.5000000), wk = 0.0022026 k( 290) = ( 0.2424242 0.2424242 0.5000000), wk = 0.0022026 k( 291) = ( 0.2363636 0.2363636 0.5000000), wk = 0.0022026 k( 292) = ( 0.2303030 0.2303030 0.5000000), wk = 0.0022026 k( 293) = ( 0.2242424 0.2242424 0.5000000), wk = 0.0022026 k( 294) = ( 0.2181818 0.2181818 0.5000000), wk = 0.0022026 k( 295) = ( 0.2121212 0.2121212 0.5000000), wk = 0.0022026 k( 296) = ( 0.2060606 0.2060606 0.5000000), wk = 0.0022026 k( 297) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0022026 k( 298) = ( 0.1939394 0.1939394 0.5000000), wk = 0.0022026 k( 299) = ( 0.1878788 0.1878788 0.5000000), wk = 0.0022026 k( 300) = ( 0.1818182 0.1818182 0.5000000), wk = 0.0022026 k( 301) = ( 0.1757576 0.1757576 0.5000000), wk = 0.0022026 k( 302) = ( 0.1696970 0.1696970 0.5000000), wk = 0.0022026 k( 303) = ( 0.1636364 0.1636364 0.5000000), wk = 0.0022026 k( 304) = ( 0.1575758 0.1575758 0.5000000), wk = 0.0022026 k( 305) = ( 0.1515151 0.1515151 0.5000000), wk = 0.0022026 k( 306) = ( 0.1454545 0.1454545 0.5000000), wk = 0.0022026 k( 307) = ( 0.1393939 0.1393939 0.5000000), wk = 0.0022026 k( 308) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0022026 k( 309) = ( 0.1272727 0.1272727 0.5000000), wk = 0.0022026 k( 310) = ( 0.1212121 0.1212121 0.5000000), wk = 0.0022026 k( 311) = ( 0.1151515 0.1151515 0.5000000), wk = 0.0022026 k( 312) = ( 0.1090909 0.1090909 0.5000000), wk = 0.0022026 k( 313) = ( 0.1030303 0.1030303 0.5000000), wk = 0.0022026 k( 314) = ( 0.0969697 0.0969697 0.5000000), wk = 0.0022026 k( 315) = ( 0.0909091 0.0909091 0.5000000), wk = 0.0022026 k( 316) = ( 0.0848485 0.0848485 0.5000000), wk = 0.0022026 k( 317) = ( 0.0787879 0.0787879 0.5000000), wk = 0.0022026 k( 318) = ( 0.0727273 0.0727273 0.5000000), wk = 0.0022026 k( 319) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0022026 k( 320) = ( 0.0606061 0.0606061 0.5000000), wk = 0.0022026 k( 321) = ( 0.0545455 0.0545455 0.5000000), wk = 0.0022026 k( 322) = ( 0.0484849 0.0484849 0.5000000), wk = 0.0022026 k( 323) = ( 0.0424242 0.0424242 0.5000000), wk = 0.0022026 k( 324) = ( 0.0363636 0.0363636 0.5000000), wk = 0.0022026 k( 325) = ( 0.0303030 0.0303030 0.5000000), wk = 0.0022026 k( 326) = ( 0.0242424 0.0242424 0.5000000), wk = 0.0022026 k( 327) = ( 0.0181818 0.0181818 0.5000000), wk = 0.0022026 k( 328) = ( 0.0121212 0.0121212 0.5000000), wk = 0.0022026 k( 329) = ( 0.0060606 0.0060606 0.5000000), wk = 0.0022026 k( 330) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022026 k( 331) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022026 k( 332) = ( 0.5000000 0.0000000 0.4918033), wk = 0.0022026 k( 333) = ( 0.5000000 0.0000000 0.4836066), wk = 0.0022026 k( 334) = ( 0.5000000 0.0000000 0.4754098), wk = 0.0022026 k( 335) = ( 0.5000000 0.0000000 0.4672131), wk = 0.0022026 k( 336) = ( 0.5000000 0.0000000 0.4590164), wk = 0.0022026 k( 337) = ( 0.5000000 0.0000000 0.4508197), wk = 0.0022026 k( 338) = ( 0.5000000 0.0000000 0.4426230), wk = 0.0022026 k( 339) = ( 0.5000000 0.0000000 0.4344262), wk = 0.0022026 k( 340) = ( 0.5000000 0.0000000 0.4262295), wk = 0.0022026 k( 341) = ( 0.5000000 0.0000000 0.4180328), wk = 0.0022026 k( 342) = ( 0.5000000 0.0000000 0.4098361), wk = 0.0022026 k( 343) = ( 0.5000000 0.0000000 0.4016393), wk = 0.0022026 k( 344) = ( 0.5000000 0.0000000 0.3934426), wk = 0.0022026 k( 345) = ( 0.5000000 0.0000000 0.3852459), wk = 0.0022026 k( 346) = ( 0.5000000 0.0000000 0.3770492), wk = 0.0022026 k( 347) = ( 0.5000000 0.0000000 0.3688525), wk = 0.0022026 k( 348) = ( 0.5000000 0.0000000 0.3606557), wk = 0.0022026 k( 349) = ( 0.5000000 0.0000000 0.3524590), wk = 0.0022026 k( 350) = ( 0.5000000 0.0000000 0.3442623), wk = 0.0022026 k( 351) = ( 0.5000000 0.0000000 0.3360656), wk = 0.0022026 k( 352) = ( 0.5000000 0.0000000 0.3278688), wk = 0.0022026 k( 353) = ( 0.5000000 0.0000000 0.3196721), wk = 0.0022026 k( 354) = ( 0.5000000 0.0000000 0.3114754), wk = 0.0022026 k( 355) = ( 0.5000000 0.0000000 0.3032787), wk = 0.0022026 k( 356) = ( 0.5000000 0.0000000 0.2950820), wk = 0.0022026 k( 357) = ( 0.5000000 0.0000000 0.2868852), wk = 0.0022026 k( 358) = ( 0.5000000 0.0000000 0.2786885), wk = 0.0022026 k( 359) = ( 0.5000000 0.0000000 0.2704918), wk = 0.0022026 k( 360) = ( 0.5000000 0.0000000 0.2622951), wk = 0.0022026 k( 361) = ( 0.5000000 0.0000000 0.2540984), wk = 0.0022026 k( 362) = ( 0.5000000 0.0000000 0.2459016), wk = 0.0022026 k( 363) = ( 0.5000000 0.0000000 0.2377049), wk = 0.0022026 k( 364) = ( 0.5000000 0.0000000 0.2295082), wk = 0.0022026 k( 365) = ( 0.5000000 0.0000000 0.2213115), wk = 0.0022026 k( 366) = ( 0.5000000 0.0000000 0.2131147), wk = 0.0022026 k( 367) = ( 0.5000000 0.0000000 0.2049180), wk = 0.0022026 k( 368) = ( 0.5000000 0.0000000 0.1967213), wk = 0.0022026 k( 369) = ( 0.5000000 0.0000000 0.1885246), wk = 0.0022026 k( 370) = ( 0.5000000 0.0000000 0.1803279), wk = 0.0022026 k( 371) = ( 0.5000000 0.0000000 0.1721311), wk = 0.0022026 k( 372) = ( 0.5000000 0.0000000 0.1639344), wk = 0.0022026 k( 373) = ( 0.5000000 0.0000000 0.1557377), wk = 0.0022026 k( 374) = ( 0.5000000 0.0000000 0.1475410), wk = 0.0022026 k( 375) = ( 0.5000000 0.0000000 0.1393443), wk = 0.0022026 k( 376) = ( 0.5000000 0.0000000 0.1311475), wk = 0.0022026 k( 377) = ( 0.5000000 0.0000000 0.1229508), wk = 0.0022026 k( 378) = ( 0.5000000 0.0000000 0.1147541), wk = 0.0022026 k( 379) = ( 0.5000000 0.0000000 0.1065574), wk = 0.0022026 k( 380) = ( 0.5000000 0.0000000 0.0983607), wk = 0.0022026 k( 381) = ( 0.5000000 0.0000000 0.0901639), wk = 0.0022026 k( 382) = ( 0.5000000 0.0000000 0.0819672), wk = 0.0022026 k( 383) = ( 0.5000000 0.0000000 0.0737705), wk = 0.0022026 k( 384) = ( 0.5000000 0.0000000 0.0655738), wk = 0.0022026 k( 385) = ( 0.5000000 0.0000000 0.0573770), wk = 0.0022026 k( 386) = ( 0.5000000 0.0000000 0.0491803), wk = 0.0022026 k( 387) = ( 0.5000000 0.0000000 0.0409836), wk = 0.0022026 k( 388) = ( 0.5000000 0.0000000 0.0327869), wk = 0.0022026 k( 389) = ( 0.5000000 0.0000000 0.0245902), wk = 0.0022026 k( 390) = ( 0.5000000 0.0000000 0.0163934), wk = 0.0022026 k( 391) = ( 0.5000000 0.0000000 0.0081967), wk = 0.0022026 k( 392) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0022026 k( 393) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0022026 k( 394) = ( 0.3333333 0.3333333 0.0081967), wk = 0.0022026 k( 395) = ( 0.3333333 0.3333333 0.0163934), wk = 0.0022026 k( 396) = ( 0.3333333 0.3333333 0.0245902), wk = 0.0022026 k( 397) = ( 0.3333333 0.3333333 0.0327869), wk = 0.0022026 k( 398) = ( 0.3333333 0.3333333 0.0409836), wk = 0.0022026 k( 399) = ( 0.3333333 0.3333333 0.0491803), wk = 0.0022026 k( 400) = ( 0.3333333 0.3333333 0.0573770), wk = 0.0022026 k( 401) = ( 0.3333333 0.3333333 0.0655738), wk = 0.0022026 k( 402) = ( 0.3333333 0.3333333 0.0737705), wk = 0.0022026 k( 403) = ( 0.3333333 0.3333333 0.0819672), wk = 0.0022026 k( 404) = ( 0.3333333 0.3333333 0.0901639), wk = 0.0022026 k( 405) = ( 0.3333333 0.3333333 0.0983607), wk = 0.0022026 k( 406) = ( 0.3333333 0.3333333 0.1065574), wk = 0.0022026 k( 407) = ( 0.3333333 0.3333333 0.1147541), wk = 0.0022026 k( 408) = ( 0.3333333 0.3333333 0.1229508), wk = 0.0022026 k( 409) = ( 0.3333333 0.3333333 0.1311475), wk = 0.0022026 k( 410) = ( 0.3333333 0.3333333 0.1393443), wk = 0.0022026 k( 411) = ( 0.3333333 0.3333333 0.1475410), wk = 0.0022026 k( 412) = ( 0.3333333 0.3333333 0.1557377), wk = 0.0022026 k( 413) = ( 0.3333333 0.3333333 0.1639344), wk = 0.0022026 k( 414) = ( 0.3333333 0.3333333 0.1721312), wk = 0.0022026 k( 415) = ( 0.3333333 0.3333333 0.1803279), wk = 0.0022026 k( 416) = ( 0.3333333 0.3333333 0.1885246), wk = 0.0022026 k( 417) = ( 0.3333333 0.3333333 0.1967213), wk = 0.0022026 k( 418) = ( 0.3333333 0.3333333 0.2049180), wk = 0.0022026 k( 419) = ( 0.3333333 0.3333333 0.2131147), wk = 0.0022026 k( 420) = ( 0.3333333 0.3333333 0.2213115), wk = 0.0022026 k( 421) = ( 0.3333333 0.3333333 0.2295082), wk = 0.0022026 k( 422) = ( 0.3333333 0.3333333 0.2377049), wk = 0.0022026 k( 423) = ( 0.3333333 0.3333333 0.2459016), wk = 0.0022026 k( 424) = ( 0.3333333 0.3333333 0.2540984), wk = 0.0022026 k( 425) = ( 0.3333333 0.3333333 0.2622951), wk = 0.0022026 k( 426) = ( 0.3333333 0.3333333 0.2704918), wk = 0.0022026 k( 427) = ( 0.3333333 0.3333333 0.2786885), wk = 0.0022026 k( 428) = ( 0.3333333 0.3333333 0.2868852), wk = 0.0022026 k( 429) = ( 0.3333333 0.3333333 0.2950820), wk = 0.0022026 k( 430) = ( 0.3333333 0.3333333 0.3032787), wk = 0.0022026 k( 431) = ( 0.3333333 0.3333333 0.3114754), wk = 0.0022026 k( 432) = ( 0.3333333 0.3333333 0.3196721), wk = 0.0022026 k( 433) = ( 0.3333333 0.3333333 0.3278688), wk = 0.0022026 k( 434) = ( 0.3333333 0.3333333 0.3360656), wk = 0.0022026 k( 435) = ( 0.3333333 0.3333333 0.3442623), wk = 0.0022026 k( 436) = ( 0.3333333 0.3333333 0.3524590), wk = 0.0022026 k( 437) = ( 0.3333333 0.3333333 0.3606557), wk = 0.0022026 k( 438) = ( 0.3333333 0.3333333 0.3688525), wk = 0.0022026 k( 439) = ( 0.3333333 0.3333333 0.3770492), wk = 0.0022026 k( 440) = ( 0.3333333 0.3333333 0.3852459), wk = 0.0022026 k( 441) = ( 0.3333333 0.3333333 0.3934426), wk = 0.0022026 k( 442) = ( 0.3333333 0.3333333 0.4016393), wk = 0.0022026 k( 443) = ( 0.3333333 0.3333333 0.4098361), wk = 0.0022026 k( 444) = ( 0.3333333 0.3333333 0.4180328), wk = 0.0022026 k( 445) = ( 0.3333333 0.3333333 0.4262295), wk = 0.0022026 k( 446) = ( 0.3333333 0.3333333 0.4344262), wk = 0.0022026 k( 447) = ( 0.3333333 0.3333333 0.4426229), wk = 0.0022026 k( 448) = ( 0.3333333 0.3333333 0.4508197), wk = 0.0022026 k( 449) = ( 0.3333333 0.3333333 0.4590164), wk = 0.0022026 k( 450) = ( 0.3333333 0.3333333 0.4672131), wk = 0.0022026 k( 451) = ( 0.3333333 0.3333333 0.4754098), wk = 0.0022026 k( 452) = ( 0.3333333 0.3333333 0.4836066), wk = 0.0022026 k( 453) = ( 0.3333333 0.3333333 0.4918033), wk = 0.0022026 k( 454) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0022026 Dense grid: 16267 G-vectors FFT dimensions: ( 40, 40, 25) Smooth grid: 7705 G-vectors FFT dimensions: ( 30, 30, 20) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 64, 18) NL pseudopotentials 0.02 Mb ( 32, 34) Each V/rho on FFT grid 0.02 Mb ( 1600) Each G-vector array 0.00 Mb ( 452) G-vector shells 0.00 Mb ( 219) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.07 Mb ( 64, 72) Each subspace H/S matrix 0.00 Mb ( 18, 18) Each matrix 0.02 Mb ( 34, 2, 18) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./Sr.save/charge-density.dat Starting wfc are 16 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.0 secs Computing kpt #: 2 total cpu time spent up to now is 4.1 secs Computing kpt #: 3 total cpu time spent up to now is 4.2 secs Computing kpt #: 4 total cpu time spent up to now is 4.2 secs Computing kpt #: 5 total cpu time spent up to now is 4.3 secs Computing kpt #: 6 total cpu time spent up to now is 4.4 secs Computing kpt #: 7 total cpu time spent up to now is 4.4 secs Computing kpt #: 8 total cpu time spent up to now is 4.5 secs Computing kpt #: 9 total cpu time spent up to now is 4.6 secs Computing kpt #: 10 total cpu time spent up to now is 4.6 secs Computing kpt #: 11 total cpu time spent up to now is 4.7 secs Computing kpt #: 12 total cpu time spent up to now is 4.8 secs Computing kpt #: 13 total cpu time spent up to now is 4.9 secs Computing kpt #: 14 total cpu time spent up to now is 4.9 secs Computing kpt #: 15 total cpu time spent up to now is 5.0 secs Computing kpt #: 16 total cpu time spent up to now is 5.1 secs Computing kpt #: 17 total cpu time spent up to now is 5.2 secs Computing kpt #: 18 total cpu time spent up to now is 5.3 secs Computing kpt #: 19 total cpu time spent up to now is 5.5 secs Computing kpt #: 20 total cpu time spent up to now is 5.6 secs Computing kpt #: 21 total cpu time spent up to now is 5.7 secs Computing kpt #: 22 total cpu time spent up to now is 5.8 secs Computing kpt #: 23 total cpu time spent up to now is 5.9 secs Computing kpt #: 24 total cpu time spent up to now is 6.0 secs Computing kpt #: 25 total cpu time spent up to now is 6.1 secs Computing kpt #: 26 total cpu time spent up to now is 6.2 secs Computing kpt #: 27 total cpu time spent up to now is 6.3 secs Computing kpt #: 28 total cpu time spent up to now is 6.4 secs Computing kpt #: 29 total cpu time spent up to now is 6.5 secs Computing kpt #: 30 total cpu time spent up to now is 6.6 secs Computing kpt #: 31 total cpu time spent up to now is 6.7 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 6.9 secs Computing kpt #: 36 total cpu time spent up to now is 7.0 secs Computing kpt #: 37 total cpu time spent up to now is 7.0 secs Computing kpt #: 38 total cpu time spent up to now is 7.1 secs Computing kpt #: 39 total cpu time spent up to now is 7.2 secs Computing kpt #: 40 total cpu time spent up to now is 7.2 secs Computing kpt #: 41 total cpu time spent up to now is 7.3 secs Computing kpt #: 42 total cpu time spent up to now is 7.3 secs Computing kpt #: 43 total cpu time spent up to now is 7.4 secs Computing kpt #: 44 total cpu time spent up to now is 7.5 secs Computing kpt #: 45 total cpu time spent up to now is 7.5 secs Computing kpt #: 46 total cpu time spent up to now is 7.6 secs Computing kpt #: 47 total cpu time spent up to now is 7.6 secs Computing kpt #: 48 total cpu time spent up to now is 7.7 secs Computing kpt #: 49 total cpu time spent up to now is 7.7 secs Computing kpt #: 50 total cpu time spent up to now is 7.8 secs Computing kpt #: 51 total cpu time spent up to now is 7.9 secs Computing kpt #: 52 total cpu time spent up to now is 7.9 secs Computing kpt #: 53 total cpu time spent up to now is 8.0 secs Computing kpt #: 54 total cpu time spent up to now is 8.0 secs Computing kpt #: 55 total cpu time spent up to now is 8.1 secs Computing kpt #: 56 total cpu time spent up to now is 8.2 secs Computing kpt #: 57 total cpu time spent up to now is 8.2 secs Computing kpt #: 58 total cpu time spent up to now is 8.3 secs Computing kpt #: 59 total cpu time spent up to now is 8.3 secs Computing kpt #: 60 total cpu time spent up to now is 8.4 secs Computing kpt #: 61 total cpu time spent up to now is 8.4 secs Computing kpt #: 62 total cpu time spent up to now is 8.5 secs Computing kpt #: 63 total cpu time spent up to now is 8.6 secs Computing kpt #: 64 total cpu time spent up to now is 8.6 secs Computing kpt #: 65 total cpu time spent up to now is 8.7 secs Computing kpt #: 66 total cpu time spent up to now is 8.7 secs Computing kpt #: 67 total cpu time spent up to now is 8.8 secs Computing kpt #: 68 total cpu time spent up to now is 9.5 secs Computing kpt #: 69 total cpu time spent up to now is 9.6 secs Computing kpt #: 70 total cpu time spent up to now is 9.6 secs Computing kpt #: 71 total cpu time spent up to now is 9.7 secs Computing kpt #: 72 total cpu time spent up to now is 9.7 secs Computing kpt #: 73 total cpu time spent up to now is 9.8 secs Computing kpt #: 74 total cpu time spent up to now is 9.8 secs Computing kpt #: 75 total cpu time spent up to now is 9.9 secs Computing kpt #: 76 total cpu time spent up to now is 10.0 secs Computing kpt #: 77 total cpu time spent up to now is 10.0 secs Computing kpt #: 78 total cpu time spent up to now is 10.1 secs Computing kpt #: 79 total cpu time spent up to now is 10.2 secs Computing kpt #: 80 total cpu time spent up to now is 10.2 secs Computing kpt #: 81 total cpu time spent up to now is 10.3 secs Computing kpt #: 82 total cpu time spent up to now is 10.3 secs Computing kpt #: 83 total cpu time spent up to now is 10.4 secs Computing kpt #: 84 total cpu time spent up to now is 10.5 secs Computing kpt #: 85 total cpu time spent up to now is 10.5 secs Computing kpt #: 86 total cpu time spent up to now is 10.6 secs Computing kpt #: 87 total cpu time spent up to now is 10.6 secs Computing kpt #: 88 total cpu time spent up to now is 10.7 secs Computing kpt #: 89 total cpu time spent up to now is 10.7 secs Computing kpt #: 90 total cpu time spent up to now is 10.8 secs Computing kpt #: 91 total cpu time spent up to now is 10.8 secs Computing kpt #: 92 total cpu time spent up to now is 10.9 secs Computing kpt #: 93 total cpu time spent up to now is 10.9 secs Computing kpt #: 94 total cpu time spent up to now is 11.0 secs Computing kpt #: 95 total cpu time spent up to now is 11.0 secs Computing kpt #: 96 total cpu time spent up to now is 11.1 secs Computing kpt #: 97 total cpu time spent up to now is 11.2 secs Computing kpt #: 98 total cpu time spent up to now is 11.2 secs Computing kpt #: 99 total cpu time spent up to now is 11.3 secs Computing kpt #: 100 total cpu time spent up to now is 11.3 secs Computing kpt #: 101 total cpu time spent up to now is 11.4 secs Computing kpt #: 102 total cpu time spent up to now is 11.4 secs Computing kpt #: 103 total cpu time spent up to now is 11.5 secs Computing kpt #: 104 total cpu time spent up to now is 11.6 secs Computing kpt #: 105 total cpu time spent up to now is 11.6 secs Computing kpt #: 106 total cpu time spent up to now is 11.7 secs Computing kpt #: 107 total cpu time spent up to now is 11.8 secs Computing kpt #: 108 total cpu time spent up to now is 11.9 secs Computing kpt #: 109 total cpu time spent up to now is 12.0 secs Computing kpt #: 110 total cpu time spent up to now is 12.1 secs Computing kpt #: 111 total cpu time spent up to now is 12.2 secs Computing kpt #: 112 total cpu time spent up to now is 12.3 secs Computing kpt #: 113 total cpu time spent up to now is 12.4 secs Computing kpt #: 114 total cpu time spent up to now is 12.5 secs Computing kpt #: 115 total cpu time spent up to now is 12.6 secs Computing kpt #: 116 total cpu time spent up to now is 12.8 secs Computing kpt #: 117 total cpu time spent up to now is 12.9 secs Computing kpt #: 118 total cpu time spent up to now is 13.0 secs Computing kpt #: 119 total cpu time spent up to now is 13.1 secs Computing kpt #: 120 total cpu time spent up to now is 13.2 secs Computing kpt #: 121 total cpu time spent up to now is 13.3 secs Computing kpt #: 122 total cpu time spent up to now is 13.4 secs Computing kpt #: 123 total cpu time spent up to now is 13.4 secs Computing kpt #: 124 total cpu time spent up to now is 13.5 secs Computing kpt #: 125 total cpu time spent up to now is 13.6 secs Computing kpt #: 126 total cpu time spent up to now is 13.6 secs Computing kpt #: 127 total cpu time spent up to now is 13.7 secs Computing kpt #: 128 total cpu time spent up to now is 13.8 secs Computing kpt #: 129 total cpu time spent up to now is 13.8 secs Computing kpt #: 130 total cpu time spent up to now is 13.9 secs Computing kpt #: 131 total cpu time spent up to now is 14.0 secs Computing kpt #: 132 total cpu time spent up to now is 14.0 secs Computing kpt #: 133 total cpu time spent up to now is 14.1 secs Computing kpt #: 134 total cpu time spent up to now is 14.2 secs Computing kpt #: 135 total cpu time spent up to now is 14.2 secs Computing kpt #: 136 total cpu time spent up to now is 14.3 secs Computing kpt #: 137 total cpu time spent up to now is 14.4 secs Computing kpt #: 138 total cpu time spent up to now is 14.5 secs Computing kpt #: 139 total cpu time spent up to now is 14.5 secs Computing kpt #: 140 total cpu time spent up to now is 14.6 secs Computing kpt #: 141 total cpu time spent up to now is 14.7 secs Computing kpt #: 142 total cpu time spent up to now is 14.8 secs Computing kpt #: 143 total cpu time spent up to now is 14.8 secs Computing kpt #: 144 total cpu time spent up to now is 14.9 secs Computing kpt #: 145 total cpu time spent up to now is 15.0 secs Computing kpt #: 146 total cpu time spent up to now is 15.1 secs Computing kpt #: 147 total cpu time spent up to now is 15.2 secs Computing kpt #: 148 total cpu time spent up to now is 15.3 secs Computing kpt #: 149 total cpu time spent up to now is 15.3 secs Computing kpt #: 150 total cpu time spent up to now is 15.4 secs Computing kpt #: 151 total cpu time spent up to now is 15.5 secs Computing kpt #: 152 total cpu time spent up to now is 15.5 secs Computing kpt #: 153 total cpu time spent up to now is 15.6 secs Computing kpt #: 154 total cpu time spent up to now is 15.7 secs Computing kpt #: 155 total cpu time spent up to now is 15.7 secs Computing kpt #: 156 total cpu time spent up to now is 15.8 secs Computing kpt #: 157 total cpu time spent up to now is 15.9 secs Computing kpt #: 158 total cpu time spent up to now is 15.9 secs Computing kpt #: 159 total cpu time spent up to now is 16.0 secs Computing kpt #: 160 total cpu time spent up to now is 16.1 secs Computing kpt #: 161 total cpu time spent up to now is 16.1 secs Computing kpt #: 162 total cpu time spent up to now is 16.2 secs Computing kpt #: 163 total cpu time spent up to now is 16.3 secs Computing kpt #: 164 total cpu time spent up to now is 16.3 secs Computing kpt #: 165 total cpu time spent up to now is 16.4 secs Computing kpt #: 166 total cpu time spent up to now is 16.5 secs Computing kpt #: 167 total cpu time spent up to now is 16.6 secs Computing kpt #: 168 total cpu time spent up to now is 16.6 secs Computing kpt #: 169 total cpu time spent up to now is 16.7 secs Computing kpt #: 170 total cpu time spent up to now is 16.8 secs Computing kpt #: 171 total cpu time spent up to now is 16.8 secs Computing kpt #: 172 total cpu time spent up to now is 16.9 secs Computing kpt #: 173 total cpu time spent up to now is 17.0 secs Computing kpt #: 174 total cpu time spent up to now is 17.1 secs Computing kpt #: 175 total cpu time spent up to now is 17.1 secs Computing kpt #: 176 total cpu time spent up to now is 17.2 secs Computing kpt #: 177 total cpu time spent up to now is 17.3 secs Computing kpt #: 178 total cpu time spent up to now is 17.3 secs Computing kpt #: 179 total cpu time spent up to now is 17.4 secs Computing kpt #: 180 total cpu time spent up to now is 17.5 secs Computing kpt #: 181 total cpu time spent up to now is 17.6 secs Computing kpt #: 182 total cpu time spent up to now is 17.6 secs Computing kpt #: 183 total cpu time spent up to now is 17.7 secs Computing kpt #: 184 total cpu time spent up to now is 17.8 secs Computing kpt #: 185 total cpu time spent up to now is 17.9 secs Computing kpt #: 186 total cpu time spent up to now is 17.9 secs Computing kpt #: 187 total cpu time spent up to now is 18.0 secs Computing kpt #: 188 total cpu time spent up to now is 18.1 secs Computing kpt #: 189 total cpu time spent up to now is 18.1 secs Computing kpt #: 190 total cpu time spent up to now is 18.2 secs Computing kpt #: 191 total cpu time spent up to now is 18.3 secs Computing kpt #: 192 total cpu time spent up to now is 18.4 secs Computing kpt #: 193 total cpu time spent up to now is 18.4 secs Computing kpt #: 194 total cpu time spent up to now is 18.5 secs Computing kpt #: 195 total cpu time spent up to now is 18.6 secs Computing kpt #: 196 total cpu time spent up to now is 18.6 secs Computing kpt #: 197 total cpu time spent up to now is 18.7 secs Computing kpt #: 198 total cpu time spent up to now is 18.8 secs Computing kpt #: 199 total cpu time spent up to now is 18.9 secs Computing kpt #: 200 total cpu time spent up to now is 18.9 secs Computing kpt #: 201 total cpu time spent up to now is 19.0 secs Computing kpt #: 202 total cpu time spent up to now is 19.1 secs Computing kpt #: 203 total cpu time spent up to now is 19.1 secs Computing kpt #: 204 total cpu time spent up to now is 19.2 secs Computing kpt #: 205 total cpu time spent up to now is 19.3 secs Computing kpt #: 206 total cpu time spent up to now is 19.3 secs Computing kpt #: 207 total cpu time spent up to now is 19.4 secs Computing kpt #: 208 total cpu time spent up to now is 19.5 secs Computing kpt #: 209 total cpu time spent up to now is 19.5 secs Computing kpt #: 210 total cpu time spent up to now is 19.6 secs Computing kpt #: 211 total cpu time spent up to now is 19.7 secs Computing kpt #: 212 total cpu time spent up to now is 19.7 secs Computing kpt #: 213 total cpu time spent up to now is 19.8 secs Computing kpt #: 214 total cpu time spent up to now is 19.9 secs Computing kpt #: 215 total cpu time spent up to now is 19.9 secs Computing kpt #: 216 total cpu time spent up to now is 20.0 secs Computing kpt #: 217 total cpu time spent up to now is 20.1 secs Computing kpt #: 218 total cpu time spent up to now is 20.1 secs Computing kpt #: 219 total cpu time spent up to now is 20.2 secs Computing kpt #: 220 total cpu time spent up to now is 20.3 secs Computing kpt #: 221 total cpu time spent up to now is 20.3 secs Computing kpt #: 222 total cpu time spent up to now is 20.4 secs Computing kpt #: 223 total cpu time spent up to now is 20.5 secs Computing kpt #: 224 total cpu time spent up to now is 20.6 secs Computing kpt #: 225 total cpu time spent up to now is 20.6 secs Computing kpt #: 226 total cpu time spent up to now is 20.7 secs Computing kpt #: 227 total cpu time spent up to now is 20.8 secs Computing kpt #: 228 total cpu time spent up to now is 20.8 secs Computing kpt #: 229 total cpu time spent up to now is 20.9 secs Computing kpt #: 230 total cpu time spent up to now is 21.0 secs Computing kpt #: 231 total cpu time spent up to now is 21.1 secs Computing kpt #: 232 total cpu time spent up to now is 21.2 secs Computing kpt #: 233 total cpu time spent up to now is 21.2 secs Computing kpt #: 234 total cpu time spent up to now is 21.3 secs Computing kpt #: 235 total cpu time spent up to now is 21.4 secs Computing kpt #: 236 total cpu time spent up to now is 21.5 secs Computing kpt #: 237 total cpu time spent up to now is 21.5 secs Computing kpt #: 238 total cpu time spent up to now is 21.6 secs Computing kpt #: 239 total cpu time spent up to now is 21.7 secs Computing kpt #: 240 total cpu time spent up to now is 21.8 secs Computing kpt #: 241 total cpu time spent up to now is 21.8 secs Computing kpt #: 242 total cpu time spent up to now is 21.9 secs Computing kpt #: 243 total cpu time spent up to now is 22.0 secs Computing kpt #: 244 total cpu time spent up to now is 22.0 secs Computing kpt #: 245 total cpu time spent up to now is 22.1 secs Computing kpt #: 246 total cpu time spent up to now is 22.2 secs Computing kpt #: 247 total cpu time spent up to now is 22.2 secs Computing kpt #: 248 total cpu time spent up to now is 22.3 secs Computing kpt #: 249 total cpu time spent up to now is 22.3 secs Computing kpt #: 250 total cpu time spent up to now is 22.4 secs Computing kpt #: 251 total cpu time spent up to now is 22.5 secs Computing kpt #: 252 total cpu time spent up to now is 22.5 secs Computing kpt #: 253 total cpu time spent up to now is 22.6 secs Computing kpt #: 254 total cpu time spent up to now is 22.6 secs Computing kpt #: 255 total cpu time spent up to now is 22.7 secs Computing kpt #: 256 total cpu time spent up to now is 22.8 secs Computing kpt #: 257 total cpu time spent up to now is 22.8 secs Computing kpt #: 258 total cpu time spent up to now is 22.9 secs Computing kpt #: 259 total cpu time spent up to now is 23.0 secs Computing kpt #: 260 total cpu time spent up to now is 23.0 secs Computing kpt #: 261 total cpu time spent up to now is 23.1 secs Computing kpt #: 262 total cpu time spent up to now is 23.2 secs Computing kpt #: 263 total cpu time spent up to now is 23.3 secs Computing kpt #: 264 total cpu time spent up to now is 23.4 secs Computing kpt #: 265 total cpu time spent up to now is 23.5 secs Computing kpt #: 266 total cpu time spent up to now is 23.5 secs Computing kpt #: 267 total cpu time spent up to now is 23.6 secs Computing kpt #: 268 total cpu time spent up to now is 23.7 secs Computing kpt #: 269 total cpu time spent up to now is 23.8 secs Computing kpt #: 270 total cpu time spent up to now is 23.8 secs Computing kpt #: 271 total cpu time spent up to now is 24.0 secs Computing kpt #: 272 total cpu time spent up to now is 24.0 secs Computing kpt #: 273 total cpu time spent up to now is 24.1 secs Computing kpt #: 274 total cpu time spent up to now is 24.2 secs Computing kpt #: 275 total cpu time spent up to now is 24.2 secs Computing kpt #: 276 total cpu time spent up to now is 24.3 secs Computing kpt #: 277 total cpu time spent up to now is 24.4 secs Computing kpt #: 278 total cpu time spent up to now is 24.4 secs Computing kpt #: 279 total cpu time spent up to now is 24.5 secs Computing kpt #: 280 total cpu time spent up to now is 24.5 secs Computing kpt #: 281 total cpu time spent up to now is 24.6 secs Computing kpt #: 282 total cpu time spent up to now is 24.7 secs Computing kpt #: 283 total cpu time spent up to now is 24.8 secs Computing kpt #: 284 total cpu time spent up to now is 24.9 secs Computing kpt #: 285 total cpu time spent up to now is 24.9 secs Computing kpt #: 286 total cpu time spent up to now is 25.0 secs Computing kpt #: 287 total cpu time spent up to now is 25.1 secs Computing kpt #: 288 total cpu time spent up to now is 25.2 secs Computing kpt #: 289 total cpu time spent up to now is 25.3 secs Computing kpt #: 290 total cpu time spent up to now is 25.3 secs Computing kpt #: 291 total cpu time spent up to now is 25.4 secs Computing kpt #: 292 total cpu time spent up to now is 25.5 secs Computing kpt #: 293 total cpu time spent up to now is 25.6 secs Computing kpt #: 294 total cpu time spent up to now is 25.6 secs Computing kpt #: 295 total cpu time spent up to now is 25.7 secs Computing kpt #: 296 total cpu time spent up to now is 25.8 secs Computing kpt #: 297 total cpu time spent up to now is 25.9 secs Computing kpt #: 298 total cpu time spent up to now is 25.9 secs Computing kpt #: 299 total cpu time spent up to now is 26.0 secs Computing kpt #: 300 total cpu time spent up to now is 26.1 secs Computing kpt #: 301 total cpu time spent up to now is 26.2 secs Computing kpt #: 302 total cpu time spent up to now is 26.2 secs Computing kpt #: 303 total cpu time spent up to now is 26.3 secs Computing kpt #: 304 total cpu time spent up to now is 26.4 secs Computing kpt #: 305 total cpu time spent up to now is 26.4 secs Computing kpt #: 306 total cpu time spent up to now is 26.5 secs Computing kpt #: 307 total cpu time spent up to now is 26.6 secs Computing kpt #: 308 total cpu time spent up to now is 26.6 secs Computing kpt #: 309 total cpu time spent up to now is 26.7 secs Computing kpt #: 310 total cpu time spent up to now is 26.8 secs Computing kpt #: 311 total cpu time spent up to now is 26.8 secs Computing kpt #: 312 total cpu time spent up to now is 26.9 secs Computing kpt #: 313 total cpu time spent up to now is 26.9 secs Computing kpt #: 314 total cpu time spent up to now is 27.0 secs Computing kpt #: 315 total cpu time spent up to now is 27.1 secs Computing kpt #: 316 total cpu time spent up to now is 27.1 secs Computing kpt #: 317 total cpu time spent up to now is 27.2 secs Computing kpt #: 318 total cpu time spent up to now is 27.3 secs Computing kpt #: 319 total cpu time spent up to now is 27.3 secs Computing kpt #: 320 total cpu time spent up to now is 27.4 secs Computing kpt #: 321 total cpu time spent up to now is 27.5 secs Computing kpt #: 322 total cpu time spent up to now is 27.6 secs Computing kpt #: 323 total cpu time spent up to now is 27.6 secs Computing kpt #: 324 total cpu time spent up to now is 27.7 secs Computing kpt #: 325 total cpu time spent up to now is 27.7 secs Computing kpt #: 326 total cpu time spent up to now is 27.8 secs Computing kpt #: 327 total cpu time spent up to now is 27.9 secs Computing kpt #: 328 total cpu time spent up to now is 28.0 secs Computing kpt #: 329 total cpu time spent up to now is 28.0 secs Computing kpt #: 330 total cpu time spent up to now is 28.1 secs Computing kpt #: 331 total cpu time spent up to now is 28.2 secs Computing kpt #: 332 total cpu time spent up to now is 28.3 secs Computing kpt #: 333 total cpu time spent up to now is 28.3 secs Computing kpt #: 334 total cpu time spent up to now is 28.4 secs Computing kpt #: 335 total cpu time spent up to now is 28.4 secs Computing kpt #: 336 total cpu time spent up to now is 28.5 secs Computing kpt #: 337 total cpu time spent up to now is 28.6 secs Computing kpt #: 338 total cpu time spent up to now is 28.6 secs Computing kpt #: 339 total cpu time spent up to now is 28.7 secs Computing kpt #: 340 total cpu time spent up to now is 28.8 secs Computing kpt #: 341 total cpu time spent up to now is 28.8 secs Computing kpt #: 342 total cpu time spent up to now is 28.9 secs Computing kpt #: 343 total cpu time spent up to now is 28.9 secs Computing kpt #: 344 total cpu time spent up to now is 29.0 secs Computing kpt #: 345 total cpu time spent up to now is 29.1 secs Computing kpt #: 346 total cpu time spent up to now is 29.2 secs Computing kpt #: 347 total cpu time spent up to now is 29.3 secs Computing kpt #: 348 total cpu time spent up to now is 29.4 secs Computing kpt #: 349 total cpu time spent up to now is 29.5 secs Computing kpt #: 350 total cpu time spent up to now is 29.6 secs Computing kpt #: 351 total cpu time spent up to now is 29.7 secs Computing kpt #: 352 total cpu time spent up to now is 29.8 secs Computing kpt #: 353 total cpu time spent up to now is 30.0 secs Computing kpt #: 354 total cpu time spent up to now is 30.1 secs Computing kpt #: 355 total cpu time spent up to now is 30.2 secs Computing kpt #: 356 total cpu time spent up to now is 30.3 secs Computing kpt #: 357 total cpu time spent up to now is 30.4 secs Computing kpt #: 358 total cpu time spent up to now is 30.5 secs Computing kpt #: 359 total cpu time spent up to now is 30.6 secs Computing kpt #: 360 total cpu time spent up to now is 30.7 secs Computing kpt #: 361 total cpu time spent up to now is 30.8 secs Computing kpt #: 362 total cpu time spent up to now is 30.8 secs Computing kpt #: 363 total cpu time spent up to now is 30.9 secs Computing kpt #: 364 total cpu time spent up to now is 31.0 secs Computing kpt #: 365 total cpu time spent up to now is 31.1 secs Computing kpt #: 366 total cpu time spent up to now is 31.1 secs Computing kpt #: 367 total cpu time spent up to now is 31.2 secs Computing kpt #: 368 total cpu time spent up to now is 31.3 secs Computing kpt #: 369 total cpu time spent up to now is 31.4 secs Computing kpt #: 370 total cpu time spent up to now is 31.4 secs Computing kpt #: 371 total cpu time spent up to now is 31.5 secs Computing kpt #: 372 total cpu time spent up to now is 31.6 secs Computing kpt #: 373 total cpu time spent up to now is 31.7 secs Computing kpt #: 374 total cpu time spent up to now is 31.8 secs Computing kpt #: 375 total cpu time spent up to now is 31.9 secs Computing kpt #: 376 total cpu time spent up to now is 31.9 secs Computing kpt #: 377 total cpu time spent up to now is 32.0 secs Computing kpt #: 378 total cpu time spent up to now is 32.1 secs Computing kpt #: 379 total cpu time spent up to now is 32.2 secs Computing kpt #: 380 total cpu time spent up to now is 32.2 secs Computing kpt #: 381 total cpu time spent up to now is 32.3 secs Computing kpt #: 382 total cpu time spent up to now is 32.4 secs Computing kpt #: 383 total cpu time spent up to now is 32.5 secs Computing kpt #: 384 total cpu time spent up to now is 32.5 secs Computing kpt #: 385 total cpu time spent up to now is 32.6 secs Computing kpt #: 386 total cpu time spent up to now is 32.7 secs Computing kpt #: 387 total cpu time spent up to now is 32.8 secs Computing kpt #: 388 total cpu time spent up to now is 32.8 secs Computing kpt #: 389 total cpu time spent up to now is 32.9 secs Computing kpt #: 390 total cpu time spent up to now is 32.9 secs Computing kpt #: 391 total cpu time spent up to now is 33.0 secs Computing kpt #: 392 total cpu time spent up to now is 33.1 secs Computing kpt #: 393 total cpu time spent up to now is 33.1 secs Computing kpt #: 394 total cpu time spent up to now is 33.2 secs Computing kpt #: 395 total cpu time spent up to now is 33.3 secs Computing kpt #: 396 total cpu time spent up to now is 33.4 secs Computing kpt #: 397 total cpu time spent up to now is 33.4 secs Computing kpt #: 398 total cpu time spent up to now is 33.5 secs Computing kpt #: 399 total cpu time spent up to now is 33.6 secs Computing kpt #: 400 total cpu time spent up to now is 33.7 secs Computing kpt #: 401 total cpu time spent up to now is 33.8 secs Computing kpt #: 402 total cpu time spent up to now is 33.9 secs Computing kpt #: 403 total cpu time spent up to now is 34.0 secs Computing kpt #: 404 total cpu time spent up to now is 34.0 secs Computing kpt #: 405 total cpu time spent up to now is 34.1 secs Computing kpt #: 406 total cpu time spent up to now is 34.2 secs Computing kpt #: 407 total cpu time spent up to now is 34.3 secs Computing kpt #: 408 total cpu time spent up to now is 34.4 secs Computing kpt #: 409 total cpu time spent up to now is 34.4 secs Computing kpt #: 410 total cpu time spent up to now is 34.5 secs Computing kpt #: 411 total cpu time spent up to now is 34.6 secs Computing kpt #: 412 total cpu time spent up to now is 34.7 secs Computing kpt #: 413 total cpu time spent up to now is 34.8 secs Computing kpt #: 414 total cpu time spent up to now is 34.8 secs Computing kpt #: 415 total cpu time spent up to now is 34.9 secs Computing kpt #: 416 total cpu time spent up to now is 35.0 secs Computing kpt #: 417 total cpu time spent up to now is 35.1 secs Computing kpt #: 418 total cpu time spent up to now is 35.1 secs Computing kpt #: 419 total cpu time spent up to now is 35.2 secs Computing kpt #: 420 total cpu time spent up to now is 35.3 secs Computing kpt #: 421 total cpu time spent up to now is 35.4 secs Computing kpt #: 422 total cpu time spent up to now is 35.4 secs Computing kpt #: 423 total cpu time spent up to now is 35.5 secs Computing kpt #: 424 total cpu time spent up to now is 35.6 secs Computing kpt #: 425 total cpu time spent up to now is 35.6 secs Computing kpt #: 426 total cpu time spent up to now is 35.7 secs Computing kpt #: 427 total cpu time spent up to now is 35.8 secs Computing kpt #: 428 total cpu time spent up to now is 35.8 secs Computing kpt #: 429 total cpu time spent up to now is 35.9 secs Computing kpt #: 430 total cpu time spent up to now is 36.0 secs Computing kpt #: 431 total cpu time spent up to now is 36.0 secs Computing kpt #: 432 total cpu time spent up to now is 36.1 secs Computing kpt #: 433 total cpu time spent up to now is 36.1 secs Computing kpt #: 434 total cpu time spent up to now is 36.2 secs Computing kpt #: 435 total cpu time spent up to now is 36.3 secs Computing kpt #: 436 total cpu time spent up to now is 36.3 secs Computing kpt #: 437 total cpu time spent up to now is 36.4 secs Computing kpt #: 438 total cpu time spent up to now is 36.4 secs Computing kpt #: 439 total cpu time spent up to now is 36.5 secs Computing kpt #: 440 total cpu time spent up to now is 36.6 secs Computing kpt #: 441 total cpu time spent up to now is 36.6 secs Computing kpt #: 442 total cpu time spent up to now is 36.7 secs Computing kpt #: 443 total cpu time spent up to now is 36.7 secs Computing kpt #: 444 total cpu time spent up to now is 36.8 secs Computing kpt #: 445 total cpu time spent up to now is 36.9 secs Computing kpt #: 446 total cpu time spent up to now is 36.9 secs Computing kpt #: 447 total cpu time spent up to now is 37.0 secs Computing kpt #: 448 total cpu time spent up to now is 37.0 secs Computing kpt #: 449 total cpu time spent up to now is 37.1 secs Computing kpt #: 450 total cpu time spent up to now is 37.2 secs Computing kpt #: 451 total cpu time spent up to now is 37.2 secs Computing kpt #: 452 total cpu time spent up to now is 37.3 secs Computing kpt #: 453 total cpu time spent up to now is 37.3 secs Computing kpt #: 454 total cpu time spent up to now is 37.4 secs ethr = 1.00E-07, avg # of iterations = 16.8 total cpu time spent up to now is 37.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 963 PWs) bands (ev): -27.5018 -27.5018 -9.5932 -9.5932 -8.7137 -8.7137 -6.8607 -6.8607 5.4338 5.4338 9.6990 9.6990 11.0947 11.0947 11.1372 11.1372 16.4449 16.4449 k = 0.0104 0.0060-0.0000 ( 963 PWs) bands (ev): -27.5018 -27.5018 -9.5934 -9.5934 -8.7140 -8.7140 -6.8607 -6.8607 5.4362 5.4362 9.6992 9.6992 11.0933 11.0933 11.1364 11.1364 16.4527 16.4527 k = 0.0208 0.0120-0.0000 ( 963 PWs) bands (ev): -27.5016 -27.5016 -9.5943 -9.5943 -8.7151 -8.7151 -6.8607 -6.8607 5.4435 5.4435 9.7001 9.7001 11.0868 11.0868 11.1366 11.1366 16.4761 16.4761 k = 0.0312 0.0180-0.0000 ( 963 PWs) bands (ev): -27.5014 -27.5014 -9.5958 -9.5958 -8.7169 -8.7169 -6.8607 -6.8607 5.4557 5.4557 9.7014 9.7014 11.0705 11.0705 11.1424 11.1424 16.5149 16.5149 k = 0.0417 0.0241-0.0000 ( 961 PWs) bands (ev): -27.5011 -27.5011 -9.5979 -9.5979 -8.7194 -8.7194 -6.8607 -6.8607 5.4727 5.4727 9.7033 9.7033 11.0442 11.0442 11.1548 11.1548 16.5686 16.5686 k = 0.0521 0.0301-0.0000 ( 961 PWs) bands (ev): -27.5007 -27.5007 -9.6005 -9.6005 -8.7225 -8.7225 -6.8606 -6.8606 5.4944 5.4944 9.7057 9.7057 11.0091 11.0091 11.1728 11.1728 16.6366 16.6366 k = 0.0625 0.0361-0.0000 ( 965 PWs) bands (ev): -27.5003 -27.5003 -9.6037 -9.6037 -8.7263 -8.7263 -6.8606 -6.8606 5.5209 5.5209 9.7087 9.7087 10.9668 10.9668 11.1957 11.1957 16.7183 16.7183 k = 0.0729 0.0421-0.0000 ( 965 PWs) bands (ev): -27.4997 -27.4997 -9.6075 -9.6075 -8.7308 -8.7308 -6.8606 -6.8606 5.5520 5.5520 9.7121 9.7121 10.9182 10.9182 11.2232 11.2232 16.8128 16.8128 k = 0.0833 0.0481-0.0000 ( 963 PWs) bands (ev): -27.4991 -27.4991 -9.6118 -9.6118 -8.7358 -8.7358 -6.8605 -6.8605 5.5877 5.5877 9.7161 9.7161 10.8641 10.8641 11.2551 11.2551 16.9196 16.9196 k = 0.0938 0.0541-0.0000 ( 963 PWs) bands (ev): -27.4984 -27.4984 -9.6166 -9.6166 -8.7415 -8.7415 -6.8605 -6.8605 5.6279 5.6279 9.7204 9.7204 10.8055 10.8055 11.2914 11.2914 17.0376 17.0376 k = 0.1042 0.0601-0.0000 ( 963 PWs) bands (ev): -27.4976 -27.4976 -9.6220 -9.6220 -8.7476 -8.7476 -6.8604 -6.8604 5.6725 5.6725 9.7253 9.7253 10.7432 10.7432 11.3319 11.3319 17.1661 17.1661 k = 0.1146 0.0662-0.0000 ( 961 PWs) bands (ev): -27.4967 -27.4967 -9.6279 -9.6279 -8.7543 -8.7543 -6.8604 -6.8604 5.7213 5.7213 9.7305 9.7305 10.6778 10.6778 11.3767 11.3767 17.3043 17.3043 k = 0.1250 0.0722-0.0000 ( 957 PWs) bands (ev): -27.4958 -27.4958 -9.6343 -9.6343 -8.7614 -8.7614 -6.8603 -6.8603 5.7743 5.7743 9.7361 9.7361 10.6101 10.6101 11.4256 11.4256 17.4513 17.4513 k = 0.1354 0.0782-0.0000 ( 953 PWs) bands (ev): -27.4948 -27.4948 -9.6411 -9.6411 -8.7690 -8.7690 -6.8602 -6.8602 5.8312 5.8312 9.7420 9.7420 10.5408 10.5408 11.4787 11.4787 17.6063 17.6063 k = 0.1458 0.0842-0.0000 ( 953 PWs) bands (ev): -27.4938 -27.4938 -9.6483 -9.6483 -8.7769 -8.7769 -6.8601 -6.8601 5.8919 5.8919 9.7482 9.7482 10.4706 10.4706 11.5359 11.5359 17.7684 17.7684 k = 0.1562 0.0902-0.0000 ( 949 PWs) bands (ev): -27.4927 -27.4927 -9.6560 -9.6560 -8.7851 -8.7851 -6.8600 -6.8600 5.9562 5.9562 9.7547 9.7547 10.4000 10.4000 11.5971 11.5971 17.9366 17.9366 k = 0.1667 0.0962-0.0000 ( 949 PWs) bands (ev): -27.4916 -27.4916 -9.6641 -9.6641 -8.7936 -8.7936 -6.8599 -6.8599 6.0239 6.0239 9.7613 9.7613 10.3296 10.3296 11.6623 11.6623 18.1097 18.1097 k = 0.1771 0.1022-0.0000 ( 949 PWs) bands (ev): -27.4904 -27.4904 -9.6725 -9.6725 -8.8024 -8.8024 -6.8598 -6.8598 6.0949 6.0949 9.7679 9.7679 10.2600 10.2600 11.7314 11.7314 18.2856 18.2857 k = 0.1875 0.1083-0.0000 ( 953 PWs) bands (ev): -27.4891 -27.4891 -9.6812 -9.6812 -8.8113 -8.8113 -6.8596 -6.8596 6.1688 6.1688 9.7744 9.7744 10.1918 10.1918 11.8045 11.8045 18.4237 18.4237 k = 0.1979 0.1143-0.0000 ( 951 PWs) bands (ev): -27.4879 -27.4879 -9.6903 -9.6903 -8.8204 -8.8204 -6.8595 -6.8595 6.2453 6.2453 9.7805 9.7805 10.1257 10.1257 11.8813 11.8813 18.3921 18.3921 k = 0.2083 0.1203-0.0000 ( 947 PWs) bands (ev): -27.4866 -27.4866 -9.6996 -9.6996 -8.8296 -8.8296 -6.8593 -6.8593 6.3243 6.3243 9.7857 9.7857 10.0625 10.0625 11.9620 11.9620 18.3571 18.3571 k = 0.2188 0.1263-0.0000 ( 949 PWs) bands (ev): -27.4853 -27.4853 -9.7091 -9.7091 -8.8388 -8.8388 -6.8592 -6.8592 6.4054 6.4054 9.7891 9.7891 10.0034 10.0034 12.0463 12.0463 18.3217 18.3217 k = 0.2292 0.1323-0.0000 ( 945 PWs) bands (ev): -27.4840 -27.4840 -9.7188 -9.7188 -8.8480 -8.8480 -6.8590 -6.8590 6.4881 6.4881 9.7887 9.7887 9.9509 9.9509 12.1343 12.1343 18.2863 18.2863 k = 0.2396 0.1383-0.0000 ( 947 PWs) bands (ev): -27.4826 -27.4826 -9.7286 -9.7286 -8.8572 -8.8572 -6.8588 -6.8588 6.5722 6.5722 9.7802 9.7802 9.9096 9.9096 12.2258 12.2258 18.2510 18.2510 k = 0.2500 0.1443-0.0000 ( 953 PWs) bands (ev): -27.4813 -27.4813 -9.7385 -9.7385 -8.8663 -8.8663 -6.8586 -6.8586 6.6573 6.6573 9.7584 9.7584 9.8849 9.8849 12.3207 12.3207 18.2158 18.2158 k = 0.2604 0.1504-0.0000 ( 953 PWs) bands (ev): -27.4799 -27.4799 -9.7485 -9.7485 -8.8753 -8.8753 -6.8583 -6.8583 6.7428 6.7428 9.7248 9.7248 9.8757 9.8757 12.4191 12.4191 18.1808 18.1808 k = 0.2708 0.1564-0.0000 ( 955 PWs) bands (ev): -27.4786 -27.4786 -9.7584 -9.7584 -8.8842 -8.8842 -6.8581 -6.8581 6.8282 6.8282 9.6867 9.6867 9.8751 9.8751 12.5207 12.5207 18.1454 18.1454 k = 0.2812 0.1624-0.0000 ( 955 PWs) bands (ev): -27.4773 -27.4773 -9.7684 -9.7684 -8.8928 -8.8928 -6.8579 -6.8579 6.9130 6.9130 9.6491 9.6491 9.8784 9.8784 12.6254 12.6254 18.1064 18.1064 k = 0.2917 0.1684-0.0000 ( 951 PWs) bands (ev): -27.4759 -27.4759 -9.7782 -9.7782 -8.9013 -8.9013 -6.8577 -6.8577 6.9967 6.9967 9.6143 9.6143 9.8835 9.8835 12.7332 12.7332 18.0112 18.0112 k = 0.3021 0.1744-0.0000 ( 951 PWs) bands (ev): -27.4746 -27.4746 -9.7880 -9.7880 -8.9095 -8.9095 -6.8574 -6.8574 7.0786 7.0786 9.5836 9.5836 9.8894 9.8894 12.8439 12.8439 17.8445 17.8445 k = 0.3125 0.1804-0.0000 ( 951 PWs) bands (ev): -27.4734 -27.4734 -9.7975 -9.7975 -8.9174 -8.9174 -6.8572 -6.8572 7.1580 7.1580 9.5580 9.5580 9.8956 9.8956 12.9572 12.9572 17.6722 17.6722 k = 0.3229 0.1864-0.0000 ( 950 PWs) bands (ev): -27.4721 -27.4721 -9.8069 -9.8069 -8.9250 -8.9250 -6.8570 -6.8570 7.2343 7.2343 9.5379 9.5379 9.9019 9.9019 13.0731 13.0731 17.5010 17.5010 k = 0.3333 0.1925-0.0000 ( 950 PWs) bands (ev): -27.4710 -27.4710 -9.8160 -9.8160 -8.9324 -8.9324 -6.8567 -6.8567 7.3069 7.3069 9.5237 9.5237 9.9080 9.9080 13.1913 13.1913 17.3325 17.3325 k = 0.3438 0.1985-0.0000 ( 950 PWs) bands (ev): -27.4698 -27.4698 -9.8247 -9.8247 -8.9393 -8.9393 -6.8565 -6.8565 7.3751 7.3751 9.5157 9.5157 9.9138 9.9138 13.3117 13.3117 17.1676 17.1676 k = 0.3542 0.2045-0.0000 ( 950 PWs) bands (ev): -27.4687 -27.4687 -9.8332 -9.8332 -8.9459 -8.9459 -6.8563 -6.8563 7.4384 7.4384 9.5141 9.5141 9.9191 9.9191 13.4338 13.4338 17.0073 17.0073 k = 0.3646 0.2105-0.0000 ( 950 PWs) bands (ev): -27.4677 -27.4677 -9.8412 -9.8412 -8.9521 -8.9521 -6.8560 -6.8560 7.4963 7.4963 9.5188 9.5188 9.9239 9.9239 13.5573 13.5573 16.8524 16.8524 k = 0.3750 0.2165-0.0000 ( 954 PWs) bands (ev): -27.4667 -27.4667 -9.8488 -9.8488 -8.9580 -8.9580 -6.8558 -6.8558 7.5486 7.5486 9.5296 9.5296 9.9280 9.9280 13.6819 13.6819 16.7036 16.7036 k = 0.3854 0.2225-0.0000 ( 954 PWs) bands (ev): -27.4657 -27.4657 -9.8560 -9.8560 -8.9634 -8.9634 -6.8556 -6.8556 7.5950 7.5950 9.5461 9.5461 9.9312 9.9312 13.8070 13.8070 16.5620 16.5620 k = 0.3958 0.2285-0.0000 ( 954 PWs) bands (ev): -27.4649 -27.4649 -9.8626 -9.8626 -8.9683 -8.9683 -6.8554 -6.8554 7.6357 7.6357 9.5676 9.5676 9.9336 9.9336 13.9319 13.9319 16.4283 16.4283 k = 0.4062 0.2345-0.0000 ( 956 PWs) bands (ev): -27.4641 -27.4641 -9.8687 -9.8687 -8.9729 -8.9729 -6.8553 -6.8553 7.6707 7.6707 9.5933 9.5933 9.9348 9.9348 14.0559 14.0559 16.3035 16.3035 k = 0.4167 0.2406-0.0000 ( 956 PWs) bands (ev): -27.4634 -27.4634 -9.8743 -9.8743 -8.9770 -8.9770 -6.8551 -6.8551 7.7004 7.7004 9.6222 9.6222 9.9348 9.9348 14.1778 14.1778 16.1885 16.1885 k = 0.4271 0.2466-0.0000 ( 956 PWs) bands (ev): -27.4627 -27.4627 -9.8793 -9.8793 -8.9806 -8.9806 -6.8550 -6.8550 7.7251 7.7251 9.6533 9.6533 9.9334 9.9334 14.2964 14.2964 16.0842 16.0842 k = 0.4375 0.2526-0.0000 ( 956 PWs) bands (ev): -27.4622 -27.4622 -9.8836 -9.8836 -8.9837 -8.9837 -6.8548 -6.8548 7.7453 7.7453 9.6856 9.6856 9.9303 9.9303 14.4098 14.4098 15.9915 15.9915 k = 0.4479 0.2586-0.0000 ( 952 PWs) bands (ev): -27.4617 -27.4617 -9.8874 -9.8874 -8.9864 -8.9864 -6.8547 -6.8547 7.7615 7.7615 9.7177 9.7177 9.9254 9.9254 14.5157 14.5157 15.9114 15.9114 k = 0.4583 0.2646-0.0000 ( 956 PWs) bands (ev): -27.4613 -27.4613 -9.8904 -9.8904 -8.9886 -8.9886 -6.8546 -6.8546 7.7740 7.7740 9.7489 9.7489 9.9186 9.9186 14.6110 14.6110 15.8446 15.8446 k = 0.4688 0.2706-0.0000 ( 952 PWs) bands (ev): -27.4610 -27.4610 -9.8928 -9.8928 -8.9903 -8.9903 -6.8546 -6.8546 7.7833 7.7833 9.7779 9.7779 9.9097 9.9097 14.6920 14.6920 15.7919 15.7919 k = 0.4792 0.2766-0.0000 ( 956 PWs) bands (ev): -27.4608 -27.4608 -9.8946 -9.8946 -8.9916 -8.9916 -6.8545 -6.8545 7.7898 7.7898 9.8036 9.8036 9.8991 9.8991 14.7545 14.7545 15.7538 15.7538 k = 0.4896 0.2827-0.0000 ( 956 PWs) bands (ev): -27.4606 -27.4606 -9.8956 -9.8956 -8.9923 -8.9923 -6.8545 -6.8545 7.7935 7.7935 9.8238 9.8238 9.8882 9.8882 14.7942 14.7942 15.7309 15.7309 k = 0.5000 0.2887-0.0000 ( 956 PWs) bands (ev): -27.4606 -27.4606 -9.8960 -9.8960 -8.9926 -8.9926 -6.8545 -6.8545 7.7948 7.7948 9.8327 9.8327 9.8825 9.8825 14.8078 14.8078 15.7232 15.7232 k = 0.5000 0.2887-0.0000 ( 956 PWs) bands (ev): -27.4606 -27.4606 -9.8960 -9.8960 -8.9926 -8.9926 -6.8545 -6.8545 7.7948 7.7948 9.8327 9.8327 9.8825 9.8825 14.8078 14.8078 15.7232 15.7232 k = 0.4940 0.2990-0.0000 ( 956 PWs) bands (ev): -27.4606 -27.4606 -9.8959 -9.8959 -8.9928 -8.9928 -6.8545 -6.8545 7.7975 7.7975 9.8311 9.8311 9.8825 9.8825 14.8106 14.8106 15.7098 15.7098 k = 0.4881 0.3093-0.0000 ( 956 PWs) bands (ev): -27.4605 -27.4605 -9.8959 -9.8959 -8.9936 -8.9936 -6.8545 -6.8545 7.8058 7.8058 9.8264 9.8264 9.8827 9.8827 14.8191 14.8191 15.6713 15.6713 k = 0.4821 0.3196-0.0000 ( 956 PWs) bands (ev): -27.4605 -27.4605 -9.8957 -9.8957 -8.9948 -8.9948 -6.8545 -6.8545 7.8197 7.8197 9.8187 9.8187 9.8829 9.8829 14.8331 14.8331 15.6115 15.6115 k = 0.4762 0.3299-0.0000 ( 956 PWs) bands (ev): -27.4604 -27.4604 -9.8956 -9.8956 -8.9965 -8.9965 -6.8545 -6.8545 7.8389 7.8389 9.8080 9.8080 9.8831 9.8831 14.8525 14.8525 15.5349 15.5349 k = 0.4702 0.3402-0.0000 ( 952 PWs) bands (ev): -27.4602 -27.4602 -9.8954 -9.8954 -8.9987 -8.9987 -6.8545 -6.8545 7.8635 7.8635 9.7944 9.7944 9.8835 9.8835 14.8773 14.8773 15.4457 15.4457 k = 0.4643 0.3505-0.0000 ( 952 PWs) bands (ev): -27.4601 -27.4601 -9.8952 -9.8952 -9.0013 -9.0013 -6.8545 -6.8545 7.8934 7.8934 9.7782 9.7782 9.8838 9.8838 14.9072 14.9072 15.3473 15.3473 k = 0.4583 0.3608-0.0000 ( 948 PWs) bands (ev): -27.4599 -27.4599 -9.8949 -9.8949 -9.0043 -9.0043 -6.8546 -6.8546 7.9284 7.9284 9.7594 9.7594 9.8842 9.8842 14.9418 14.9418 15.2426 15.2426 k = 0.4524 0.3712-0.0000 ( 948 PWs) bands (ev): -27.4597 -27.4597 -9.8947 -9.8947 -9.0076 -9.0076 -6.8546 -6.8546 7.9684 7.9684 9.7383 9.7383 9.8845 9.8845 14.9795 14.9795 15.1347 15.1347 k = 0.4464 0.3815-0.0000 ( 952 PWs) bands (ev): -27.4595 -27.4595 -9.8944 -9.8944 -9.0113 -9.0113 -6.8546 -6.8546 8.0131 8.0131 9.7151 9.7151 9.8848 9.8848 14.9937 14.9937 15.0518 15.0518 k = 0.4405 0.3918-0.0000 ( 952 PWs) bands (ev): -27.4593 -27.4593 -9.8941 -9.8941 -9.0152 -9.0152 -6.8547 -6.8547 8.0624 8.0624 9.6899 9.6899 9.8850 9.8850 14.8953 14.8953 15.0838 15.0838 k = 0.4345 0.4021-0.0000 ( 952 PWs) bands (ev): -27.4590 -27.4590 -9.8938 -9.8938 -9.0194 -9.0194 -6.8547 -6.8547 8.1160 8.1160 9.6631 9.6631 9.8851 9.8851 14.7802 14.7802 15.1357 15.1357 k = 0.4286 0.4124-0.0000 ( 952 PWs) bands (ev): -27.4588 -27.4588 -9.8936 -9.8936 -9.0237 -9.0237 -6.8547 -6.8547 8.1735 8.1735 9.6348 9.6348 9.8851 9.8851 14.6636 14.6636 15.1931 15.1931 k = 0.4226 0.4227-0.0000 ( 950 PWs) bands (ev): -27.4585 -27.4585 -9.8934 -9.8934 -9.0282 -9.0282 -6.8547 -6.8547 8.2348 8.2348 9.6054 9.6054 9.8848 9.8848 14.5472 14.5472 15.2547 15.2547 k = 0.4167 0.4330-0.0000 ( 950 PWs) bands (ev): -27.4582 -27.4582 -9.8932 -9.8932 -9.0327 -9.0327 -6.8548 -6.8548 8.2993 8.2993 9.5749 9.5749 9.8843 9.8843 14.4320 14.4320 15.3202 15.3202 k = 0.4107 0.4433-0.0000 ( 954 PWs) bands (ev): -27.4579 -27.4579 -9.8930 -9.8930 -9.0372 -9.0372 -6.8548 -6.8548 8.3667 8.3667 9.5438 9.5438 9.8835 9.8835 14.3188 14.3188 15.3893 15.3893 k = 0.4048 0.4536-0.0000 ( 950 PWs) bands (ev): -27.4576 -27.4576 -9.8929 -9.8929 -9.0417 -9.0417 -6.8548 -6.8548 8.4364 8.4364 9.5122 9.5122 9.8823 9.8823 14.2085 14.2085 15.4617 15.4617 k = 0.3988 0.4639-0.0000 ( 946 PWs) bands (ev): -27.4573 -27.4573 -9.8929 -9.8929 -9.0460 -9.0460 -6.8548 -6.8548 8.5078 8.5078 9.4804 9.4804 9.8807 9.8807 14.1017 14.1017 15.5372 15.5372 k = 0.3929 0.4743-0.0000 ( 948 PWs) bands (ev): -27.4571 -27.4571 -9.8929 -9.8929 -9.0502 -9.0502 -6.8548 -6.8548 8.5804 8.5804 9.4486 9.4486 9.8786 9.8786 13.9994 13.9994 15.6156 15.6156 k = 0.3869 0.4846-0.0000 ( 948 PWs) bands (ev): -27.4568 -27.4568 -9.8929 -9.8929 -9.0542 -9.0542 -6.8548 -6.8548 8.6534 8.6534 9.4171 9.4171 9.8760 9.8760 13.9022 13.9022 15.6968 15.6968 k = 0.3810 0.4949-0.0000 ( 952 PWs) bands (ev): -27.4566 -27.4566 -9.8930 -9.8930 -9.0579 -9.0579 -6.8548 -6.8548 8.7259 8.7259 9.3860 9.3860 9.8728 9.8728 13.8112 13.8112 15.7805 15.7805 k = 0.3750 0.5052-0.0000 ( 952 PWs) bands (ev): -27.4563 -27.4563 -9.8932 -9.8932 -9.0613 -9.0613 -6.8548 -6.8548 8.7970 8.7970 9.3557 9.3557 9.8692 9.8692 13.7272 13.7272 15.8666 15.8666 k = 0.3690 0.5155-0.0000 ( 952 PWs) bands (ev): -27.4561 -27.4561 -9.8933 -9.8933 -9.0643 -9.0643 -6.8548 -6.8548 8.8655 8.8655 9.3264 9.3264 9.8650 9.8650 13.6512 13.6512 15.9549 15.9549 k = 0.3631 0.5258-0.0000 ( 956 PWs) bands (ev): -27.4559 -27.4559 -9.8935 -9.8935 -9.0670 -9.0670 -6.8548 -6.8548 8.9301 8.9301 9.2985 9.2985 9.8604 9.8604 13.5842 13.5842 16.0453 16.0453 k = 0.3571 0.5361-0.0000 ( 956 PWs) bands (ev): -27.4557 -27.4557 -9.8937 -9.8937 -9.0692 -9.0692 -6.8548 -6.8548 8.9892 8.9892 9.2725 9.2725 9.8557 9.8557 13.5273 13.5273 16.1376 16.1376 k = 0.3512 0.5464-0.0000 ( 952 PWs) bands (ev): -27.4556 -27.4556 -9.8939 -9.8939 -9.0709 -9.0709 -6.8548 -6.8548 9.0407 9.0407 9.2491 9.2491 9.8512 9.8512 13.4815 13.4815 16.2317 16.2317 k = 0.3452 0.5567-0.0000 ( 951 PWs) bands (ev): -27.4555 -27.4555 -9.8941 -9.8941 -9.0722 -9.0722 -6.8548 -6.8548 9.0816 9.0816 9.2300 9.2300 9.8472 9.8472 13.4477 13.4477 16.3273 16.3273 k = 0.3393 0.5670-0.0000 ( 953 PWs) bands (ev): -27.4555 -27.4555 -9.8942 -9.8942 -9.0730 -9.0730 -6.8548 -6.8548 9.1077 9.1077 9.2180 9.2180 9.8444 9.8444 13.4269 13.4269 16.4237 16.4237 k = 0.3333 0.5774-0.0000 ( 957 PWs) bands (ev): -27.4554 -27.4554 -9.8943 -9.8943 -9.0733 -9.0733 -6.8548 -6.8548 9.1160 9.1160 9.2147 9.2147 9.8434 9.8434 13.4199 13.4199 16.5026 16.5026 k = 0.3333 0.5774-0.0000 ( 957 PWs) bands (ev): -27.4554 -27.4554 -9.8943 -9.8943 -9.0733 -9.0733 -6.8548 -6.8548 9.1160 9.1160 9.2147 9.2147 9.8434 9.8434 13.4199 13.4199 16.5026 16.5026 k = 0.3273 0.5669-0.0000 ( 953 PWs) bands (ev): -27.4555 -27.4555 -9.8942 -9.8942 -9.0730 -9.0730 -6.8548 -6.8548 9.1101 9.1101 9.2151 9.2151 9.8446 9.8446 13.4273 13.4273 16.4187 16.4187 k = 0.3212 0.5564-0.0000 ( 953 PWs) bands (ev): -27.4555 -27.4555 -9.8940 -9.8940 -9.0722 -9.0722 -6.8548 -6.8548 9.0977 9.0977 9.2109 9.2109 9.8483 9.8483 13.4499 13.4499 16.3107 16.3107 k = 0.3152 0.5459-0.0000 ( 949 PWs) bands (ev): -27.4556 -27.4556 -9.8937 -9.8937 -9.0708 -9.0708 -6.8548 -6.8548 9.0828 9.0828 9.1978 9.1978 9.8543 9.8543 13.4877 13.4877 16.1977 16.1977 k = 0.3091 0.5354-0.0000 ( 949 PWs) bands (ev): -27.4558 -27.4558 -9.8931 -9.8931 -9.0689 -9.0689 -6.8549 -6.8549 9.0669 9.0669 9.1753 9.1753 9.8621 9.8621 13.5402 13.5402 16.0810 16.0810 k = 0.3030 0.5249-0.0000 ( 949 PWs) bands (ev): -27.4560 -27.4560 -9.8923 -9.8923 -9.0664 -9.0664 -6.8549 -6.8549 9.0488 9.0488 9.1454 9.1454 9.8709 9.8709 13.6068 13.6068 15.9615 15.9615 k = 0.2970 0.5144-0.0000 ( 955 PWs) bands (ev): -27.4563 -27.4563 -9.8912 -9.8912 -9.0634 -9.0634 -6.8549 -6.8549 9.0243 9.0243 9.1136 9.1136 9.8800 9.8800 13.6864 13.6864 15.8403 15.8403 k = 0.2909 0.5039-0.0000 ( 955 PWs) bands (ev): -27.4567 -27.4567 -9.8898 -9.8898 -9.0599 -9.0599 -6.8549 -6.8549 8.9862 8.9862 9.0884 9.0884 9.8887 9.8887 13.7773 13.7773 15.7188 15.7188 k = 0.2848 0.4934-0.0000 ( 959 PWs) bands (ev): -27.4571 -27.4571 -9.8881 -9.8881 -9.0559 -9.0559 -6.8550 -6.8550 8.9320 8.9320 9.0737 9.0737 9.8966 9.8966 13.8773 13.8773 15.5988 15.5988 k = 0.2788 0.4829-0.0000 ( 963 PWs) bands (ev): -27.4576 -27.4576 -9.8860 -9.8860 -9.0514 -9.0514 -6.8551 -6.8551 8.8656 8.8656 9.0665 9.0665 9.9034 9.9034 13.9831 13.9831 15.4832 15.4832 k = 0.2727 0.4724-0.0000 ( 963 PWs) bands (ev): -27.4581 -27.4581 -9.8836 -9.8836 -9.0464 -9.0464 -6.8551 -6.8551 8.7905 8.7905 9.0645 9.0645 9.9089 9.9089 14.0895 14.0895 15.3766 15.3766 k = 0.2667 0.4619-0.0000 ( 959 PWs) bands (ev): -27.4587 -27.4587 -9.8807 -9.8807 -9.0410 -9.0410 -6.8552 -6.8552 8.7090 8.7090 9.0664 9.0664 9.9132 9.9132 14.1881 14.1881 15.2869 15.2869 k = 0.2606 0.4514-0.0000 ( 959 PWs) bands (ev): -27.4593 -27.4593 -9.8774 -9.8774 -9.0352 -9.0352 -6.8553 -6.8553 8.6222 8.6222 9.0718 9.0718 9.9162 9.9162 14.2654 14.2654 15.2270 15.2270 k = 0.2545 0.4409-0.0000 ( 959 PWs) bands (ev): -27.4600 -27.4600 -9.8737 -9.8737 -9.0290 -9.0290 -6.8554 -6.8554 8.5311 8.5311 9.0804 9.0804 9.9180 9.9180 14.3038 14.3038 15.2141 15.2141 k = 0.2485 0.4304-0.0000 ( 959 PWs) bands (ev): -27.4608 -27.4608 -9.8695 -9.8695 -9.0223 -9.0223 -6.8555 -6.8555 8.4365 8.4365 9.0922 9.0922 9.9187 9.9187 14.2918 14.2918 15.2592 15.2592 k = 0.2424 0.4199-0.0000 ( 959 PWs) bands (ev): -27.4616 -27.4616 -9.8649 -9.8649 -9.0154 -9.0154 -6.8556 -6.8556 8.3390 8.3390 9.1071 9.1071 9.9183 9.9183 14.2342 14.2342 15.3572 15.3572 k = 0.2364 0.4094-0.0000 ( 959 PWs) bands (ev): -27.4625 -27.4625 -9.8598 -9.8598 -9.0081 -9.0081 -6.8558 -6.8558 8.2392 8.2392 9.1251 9.1251 9.9169 9.9169 14.1455 14.1455 15.4930 15.4930 k = 0.2303 0.3989-0.0000 ( 961 PWs) bands (ev): -27.4635 -27.4635 -9.8542 -9.8542 -9.0004 -9.0004 -6.8559 -6.8559 8.1376 8.1376 9.1463 9.1463 9.9146 9.9146 14.0384 14.0384 15.6536 15.6536 k = 0.2242 0.3884-0.0000 ( 953 PWs) bands (ev): -27.4645 -27.4645 -9.8482 -9.8482 -8.9925 -8.9925 -6.8561 -6.8561 8.0345 8.0345 9.1705 9.1705 9.9116 9.9116 13.9210 13.9210 15.8307 15.8307 k = 0.2182 0.3779-0.0000 ( 953 PWs) bands (ev): -27.4655 -27.4655 -9.8417 -9.8417 -8.9843 -8.9843 -6.8562 -6.8562 7.9304 7.9304 9.1978 9.1978 9.9078 9.9078 13.7979 13.7979 16.0192 16.0192 k = 0.2121 0.3674-0.0000 ( 955 PWs) bands (ev): -27.4666 -27.4666 -9.8348 -9.8348 -8.9759 -8.9759 -6.8564 -6.8564 7.8255 7.8255 9.2282 9.2282 9.9033 9.9033 13.6719 13.6719 16.2161 16.2161 k = 0.2061 0.3569-0.0000 ( 955 PWs) bands (ev): -27.4678 -27.4678 -9.8275 -9.8275 -8.9672 -8.9672 -6.8566 -6.8566 7.7203 7.7203 9.2617 9.2617 9.8982 9.8982 13.5449 13.5449 16.4192 16.4192 k = 0.2000 0.3464-0.0000 ( 955 PWs) bands (ev): -27.4690 -27.4690 -9.8198 -9.8198 -8.9583 -8.9583 -6.8568 -6.8568 7.6151 7.6151 9.2982 9.2982 9.8926 9.8926 13.4180 13.4180 16.6271 16.6271 k = 0.1939 0.3359-0.0000 ( 955 PWs) bands (ev): -27.4702 -27.4702 -9.8117 -9.8117 -8.9492 -8.9492 -6.8570 -6.8570 7.5100 7.5100 9.3377 9.3377 9.8865 9.8865 13.2920 13.2920 16.8387 16.8387 k = 0.1879 0.3254-0.0000 ( 951 PWs) bands (ev): -27.4715 -27.4715 -9.8033 -9.8033 -8.9399 -8.9399 -6.8572 -6.8572 7.4054 7.4054 9.3802 9.3802 9.8800 9.8800 13.1675 13.1675 17.0530 17.0530 k = 0.1818 0.3149-0.0000 ( 951 PWs) bands (ev): -27.4728 -27.4728 -9.7946 -9.7946 -8.9305 -8.9305 -6.8574 -6.8574 7.3014 7.3014 9.4256 9.4256 9.8731 9.8731 13.0451 13.0451 17.2693 17.2693 k = 0.1758 0.3044-0.0000 ( 951 PWs) bands (ev): -27.4741 -27.4741 -9.7857 -9.7857 -8.9209 -8.9209 -6.8576 -6.8576 7.1984 7.1984 9.4739 9.4739 9.8659 9.8659 12.9251 12.9251 17.4867 17.4867 k = 0.1697 0.2939-0.0000 ( 945 PWs) bands (ev): -27.4754 -27.4754 -9.7765 -9.7765 -8.9112 -8.9112 -6.8578 -6.8578 7.0966 7.0966 9.5250 9.5250 9.8584 9.8584 12.8078 12.8078 17.7046 17.7046 k = 0.1636 0.2834-0.0000 ( 943 PWs) bands (ev): -27.4768 -27.4768 -9.7671 -9.7671 -8.9014 -8.9014 -6.8580 -6.8580 6.9960 6.9960 9.5788 9.5788 9.8507 9.8507 12.6935 12.6935 17.9214 17.9214 k = 0.1576 0.2729-0.0000 ( 947 PWs) bands (ev): -27.4782 -27.4782 -9.7576 -9.7576 -8.8916 -8.8916 -6.8582 -6.8582 6.8971 6.8971 9.6353 9.6353 9.8428 9.8428 12.5824 12.5824 18.1275 18.1275 k = 0.1515 0.2624-0.0000 ( 947 PWs) bands (ev): -27.4796 -27.4796 -9.7480 -9.7480 -8.8817 -8.8817 -6.8584 -6.8584 6.7999 6.7999 9.6942 9.6942 9.8348 9.8348 12.4747 12.4747 18.2051 18.2051 k = 0.1455 0.2519-0.0000 ( 943 PWs) bands (ev): -27.4809 -27.4809 -9.7384 -9.7384 -8.8718 -8.8718 -6.8586 -6.8586 6.7046 6.7046 9.7556 9.7556 9.8267 9.8267 12.3706 12.3706 18.2383 18.2383 k = 0.1394 0.2414-0.0000 ( 943 PWs) bands (ev): -27.4823 -27.4823 -9.7288 -9.7288 -8.8619 -8.8619 -6.8588 -6.8588 6.6115 6.6115 9.8168 9.8168 9.8209 9.8209 12.2701 12.2701 18.2702 18.2702 k = 0.1333 0.2309-0.0000 ( 949 PWs) bands (ev): -27.4837 -27.4837 -9.7191 -9.7191 -8.8520 -8.8520 -6.8590 -6.8590 6.5208 6.5208 9.8102 9.8102 9.8850 9.8850 12.1734 12.1734 18.3024 18.3024 k = 0.1273 0.2204-0.0000 ( 949 PWs) bands (ev): -27.4850 -27.4850 -9.7096 -9.7096 -8.8422 -8.8422 -6.8592 -6.8592 6.4325 6.4325 9.8021 9.8021 9.9526 9.9526 12.0807 12.0807 18.3349 18.3349 k = 0.1212 0.2099-0.0000 ( 953 PWs) bands (ev): -27.4864 -27.4864 -9.7002 -9.7002 -8.8325 -8.8325 -6.8593 -6.8593 6.3470 6.3470 9.7941 9.7941 10.0218 10.0218 11.9919 11.9919 18.3676 18.3676 k = 0.1152 0.1994-0.0000 ( 953 PWs) bands (ev): -27.4877 -27.4877 -9.6910 -9.6910 -8.8228 -8.8228 -6.8595 -6.8595 6.2643 6.2643 9.7861 9.7861 10.0925 10.0925 11.9073 11.9073 18.4004 18.4004 k = 0.1091 0.1890-0.0000 ( 953 PWs) bands (ev): -27.4890 -27.4890 -9.6820 -9.6820 -8.8134 -8.8134 -6.8597 -6.8597 6.1846 6.1846 9.7783 9.7783 10.1645 10.1645 11.8267 11.8267 18.4319 18.4319 k = 0.1030 0.1785-0.0000 ( 957 PWs) bands (ev): -27.4902 -27.4902 -9.6733 -9.6733 -8.8041 -8.8041 -6.8598 -6.8598 6.1082 6.1082 9.7707 9.7707 10.2372 10.2372 11.7504 11.7504 18.3115 18.3115 k = 0.0970 0.1680-0.0000 ( 957 PWs) bands (ev): -27.4914 -27.4914 -9.6649 -9.6649 -8.7951 -8.7951 -6.8599 -6.8599 6.0352 6.0352 9.7634 9.7634 10.3105 10.3105 11.6783 11.6783 18.1322 18.1322 k = 0.0909 0.1575-0.0000 ( 957 PWs) bands (ev): -27.4926 -27.4926 -9.6568 -9.6568 -8.7864 -8.7864 -6.8600 -6.8600 5.9656 5.9656 9.7563 9.7563 10.3840 10.3840 11.6105 11.6105 17.9566 17.9566 k = 0.0848 0.1470-0.0000 ( 959 PWs) bands (ev): -27.4937 -27.4937 -9.6490 -9.6490 -8.7780 -8.7780 -6.8601 -6.8601 5.8998 5.8998 9.7494 9.7494 10.4572 10.4572 11.5470 11.5470 17.7863 17.7863 k = 0.0788 0.1365-0.0000 ( 959 PWs) bands (ev): -27.4947 -27.4947 -9.6417 -9.6417 -8.7699 -8.7699 -6.8602 -6.8602 5.8378 5.8378 9.7430 9.7430 10.5296 10.5296 11.4878 11.4878 17.6222 17.6222 k = 0.0727 0.1260-0.0000 ( 959 PWs) bands (ev): -27.4957 -27.4957 -9.6348 -9.6348 -8.7622 -8.7622 -6.8603 -6.8603 5.7798 5.7798 9.7368 9.7368 10.6007 10.6007 11.4330 11.4330 17.4653 17.4653 k = 0.0667 0.1155-0.0000 ( 959 PWs) bands (ev): -27.4966 -27.4966 -9.6284 -9.6284 -8.7549 -8.7549 -6.8604 -6.8604 5.7259 5.7259 9.7311 9.7311 10.6700 10.6700 11.3826 11.3826 17.3164 17.3164 k = 0.0606 0.1050-0.0000 ( 965 PWs) bands (ev): -27.4975 -27.4975 -9.6224 -9.6224 -8.7482 -8.7482 -6.8604 -6.8604 5.6763 5.6763 9.7257 9.7257 10.7368 10.7368 11.3365 11.3365 17.1764 17.1764 k = 0.0545 0.0945-0.0000 ( 965 PWs) bands (ev): -27.4983 -27.4983 -9.6170 -9.6170 -8.7419 -8.7419 -6.8605 -6.8605 5.6310 5.6310 9.7208 9.7208 10.8004 10.8004 11.2949 11.2949 17.0462 17.0462 k = 0.0485 0.0840-0.0000 ( 965 PWs) bands (ev): -27.4990 -27.4990 -9.6121 -9.6121 -8.7362 -8.7362 -6.8605 -6.8605 5.5901 5.5901 9.7163 9.7163 10.8601 10.8601 11.2578 11.2578 16.9265 16.9265 k = 0.0424 0.0735-0.0000 ( 963 PWs) bands (ev): -27.4997 -27.4997 -9.6077 -9.6077 -8.7310 -8.7310 -6.8606 -6.8606 5.5539 5.5539 9.7123 9.7123 10.9151 10.9151 11.2251 11.2251 16.8183 16.8183 k = 0.0364 0.0630-0.0000 ( 963 PWs) bands (ev): -27.5002 -27.5002 -9.6039 -9.6039 -8.7265 -8.7265 -6.8606 -6.8606 5.5222 5.5222 9.7088 9.7088 10.9645 10.9645 11.1971 11.1971 16.7224 16.7224 k = 0.0303 0.0525-0.0000 ( 959 PWs) bands (ev): -27.5007 -27.5007 -9.6006 -9.6006 -8.7226 -8.7226 -6.8606 -6.8606 5.4954 5.4954 9.7059 9.7059 11.0076 11.0076 11.1737 11.1737 16.6395 16.6395 k = 0.0242 0.0420-0.0000 ( 963 PWs) bands (ev): -27.5011 -27.5011 -9.5979 -9.5979 -8.7194 -8.7194 -6.8607 -6.8607 5.4733 5.4733 9.7034 9.7034 11.0432 11.0432 11.1553 11.1553 16.5705 16.5705 k = 0.0182 0.0315-0.0000 ( 963 PWs) bands (ev): -27.5014 -27.5014 -9.5959 -9.5959 -8.7169 -8.7169 -6.8607 -6.8607 5.4560 5.4560 9.7015 9.7015 11.0700 11.0700 11.1426 11.1426 16.5160 16.5160 k = 0.0121 0.0210-0.0000 ( 963 PWs) bands (ev): -27.5016 -27.5016 -9.5944 -9.5944 -8.7151 -8.7151 -6.8607 -6.8607 5.4437 5.4437 9.7001 9.7001 11.0866 11.0866 11.1366 11.1366 16.4766 16.4766 k = 0.0061 0.0105-0.0000 ( 963 PWs) bands (ev): -27.5018 -27.5018 -9.5935 -9.5935 -8.7140 -8.7140 -6.8607 -6.8607 5.4363 5.4363 9.6992 9.6992 11.0933 11.0933 11.1364 11.1364 16.4528 16.4528 k = 0.0000 0.0000 0.0000 ( 963 PWs) bands (ev): -27.5018 -27.5018 -9.5932 -9.5932 -8.7137 -8.7137 -6.8607 -6.8607 5.4338 5.4338 9.6990 9.6990 11.0947 11.0947 11.1372 11.1372 16.4449 16.4449 k = 0.0000 0.0000 0.0000 ( 963 PWs) bands (ev): -27.5018 -27.5018 -9.5932 -9.5932 -8.7137 -8.7137 -6.8607 -6.8607 5.4338 5.4338 9.6990 9.6990 11.0947 11.0947 11.1372 11.1372 16.4449 16.4449 k = 0.0000 0.0000 0.0120 ( 963 PWs) bands (ev): -27.5012 -27.5012 -9.5929 -9.5929 -8.7132 -8.7132 -6.8648 -6.8648 5.4356 5.4356 9.7054 9.7054 11.0959 11.0959 11.1384 11.1384 16.4463 16.4463 k = 0.0000 0.0000 0.0241 ( 963 PWs) bands (ev): -27.4995 -27.4995 -9.5921 -9.5921 -8.7118 -8.7118 -6.8770 -6.8770 5.4410 5.4410 9.7245 9.7245 11.0994 11.0994 11.1420 11.1420 16.4507 16.4507 k = 0.0000 0.0000 0.0361 ( 963 PWs) bands (ev): -27.4967 -27.4967 -9.5908 -9.5908 -8.7094 -8.7094 -6.8972 -6.8972 5.4500 5.4500 9.7563 9.7563 11.1053 11.1053 11.1479 11.1479 16.4581 16.4581 k = 0.0000 0.0000 0.0481 ( 964 PWs) bands (ev): -27.4927 -27.4927 -9.5890 -9.5890 -8.7061 -8.7061 -6.9254 -6.9254 5.4625 5.4625 9.8007 9.8007 11.1136 11.1136 11.1562 11.1562 16.4683 16.4683 k = 0.0000 0.0000 0.0602 ( 958 PWs) bands (ev): -27.4876 -27.4876 -9.5868 -9.5868 -8.7018 -8.7018 -6.9612 -6.9612 5.4785 5.4785 9.8574 9.8574 11.1242 11.1242 11.1669 11.1669 16.4815 16.4815 k = 0.0000 0.0000 0.0722 ( 958 PWs) bands (ev): -27.4814 -27.4814 -9.5841 -9.5841 -8.6966 -8.6966 -7.0045 -7.0045 5.4979 5.4979 9.9264 9.9264 11.1372 11.1372 11.1800 11.1800 16.4976 16.4976 k = 0.0000 0.0000 0.0843 ( 958 PWs) bands (ev): -27.4741 -27.4741 -9.5810 -9.5810 -8.6905 -8.6905 -7.0549 -7.0549 5.5207 5.5207 10.0072 10.0072 11.1525 11.1525 11.1953 11.1953 16.5167 16.5167 k = 0.0000 0.0000 0.0963 ( 958 PWs) bands (ev): -27.4657 -27.4657 -9.5776 -9.5776 -8.6835 -8.6835 -7.1121 -7.1121 5.5467 5.5467 10.0996 10.0996 11.1702 11.1702 11.2131 11.2131 16.5387 16.5387 k = 0.0000 0.0000 0.1083 ( 958 PWs) bands (ev): -27.4563 -27.4563 -9.5740 -9.5740 -8.6756 -8.6756 -7.1756 -7.1756 5.5760 5.5760 10.2031 10.2031 11.1902 11.1902 11.2332 11.2332 16.5636 16.5636 k = 0.0000 0.0000 0.1204 ( 958 PWs) bands (ev): -27.4457 -27.4457 -9.5701 -9.5701 -8.6669 -8.6669 -7.2450 -7.2450 5.6083 5.6083 10.3175 10.3175 11.2125 11.2125 11.2555 11.2555 16.5914 16.5914 k = 0.0000 0.0000 0.1324 ( 946 PWs) bands (ev): -27.4342 -27.4342 -9.5662 -9.5662 -8.6572 -8.6572 -7.3199 -7.3199 5.6437 5.6437 10.4423 10.4423 11.2370 11.2370 11.2802 11.2802 16.6222 16.6222 k = 0.0000 0.0000 0.1444 ( 952 PWs) bands (ev): -27.4216 -27.4216 -9.5624 -9.5624 -8.6468 -8.6468 -7.3998 -7.3998 5.6820 5.6820 10.5768 10.5768 11.2639 11.2639 11.3072 11.3072 16.6559 16.6559 k = 0.0000 0.0000 0.1565 ( 952 PWs) bands (ev): -27.4080 -27.4080 -9.5587 -9.5587 -8.6355 -8.6355 -7.4840 -7.4840 5.7233 5.7233 10.7207 10.7207 11.2930 11.2930 11.3365 11.3365 16.6925 16.6925 k = 0.0000 0.0000 0.1685 ( 952 PWs) bands (ev): -27.3935 -27.3935 -9.5554 -9.5554 -8.6234 -8.6234 -7.5720 -7.5720 5.7673 5.7673 10.8732 10.8732 11.3244 11.3244 11.3680 11.3680 16.5326 16.5326 k = 0.0000 0.0000 0.1805 ( 952 PWs) bands (ev): -27.3780 -27.3780 -9.5526 -9.5526 -8.6106 -8.6106 -7.6632 -7.6632 5.8142 5.8142 11.0338 11.0338 11.3580 11.3580 11.4018 11.4018 16.3230 16.3230 k = 0.0000 0.0000 0.1926 ( 952 PWs) bands (ev): -27.3616 -27.3616 -9.5508 -9.5508 -8.5970 -8.5970 -7.7569 -7.7569 5.8637 5.8637 11.2018 11.2018 11.3938 11.3938 11.4377 11.4377 16.1143 16.1143 k = 0.0000 0.0000 0.2046 ( 952 PWs) bands (ev): -27.3443 -27.3443 -9.5501 -9.5501 -8.5827 -8.5827 -7.8524 -7.8524 5.9160 5.9160 11.3763 11.3763 11.4317 11.4317 11.4759 11.4759 15.9071 15.9071 k = 0.0000 0.0000 0.2167 ( 952 PWs) bands (ev): -27.3262 -27.3262 -9.5510 -9.5510 -8.5677 -8.5677 -7.9489 -7.9489 5.9708 5.9708 11.4718 11.4718 11.5162 11.5162 11.5566 11.5566 15.7016 15.7016 k = 0.0000 0.0000 0.2287 ( 958 PWs) bands (ev): -27.3073 -27.3073 -9.5541 -9.5541 -8.5521 -8.5521 -8.0454 -8.0454 6.0283 6.0283 11.5140 11.5140 11.5586 11.5586 11.7418 11.7418 15.4982 15.4982 k = 0.0000 0.0000 0.2407 ( 952 PWs) bands (ev): -27.2876 -27.2876 -9.5599 -9.5599 -8.5358 -8.5358 -8.1411 -8.1411 6.0884 6.0884 11.5583 11.5583 11.6031 11.6031 11.9310 11.9310 15.2972 15.2972 k = 0.0000 0.0000 0.2528 ( 958 PWs) bands (ev): -27.2672 -27.2672 -9.5691 -9.5691 -8.5190 -8.5190 -8.2347 -8.2347 6.1511 6.1511 11.6046 11.6046 11.6497 11.6497 12.1229 12.1229 15.0988 15.0988 k = 0.0000 0.0000 0.2648 ( 958 PWs) bands (ev): -27.2461 -27.2461 -9.5828 -9.5828 -8.5016 -8.5016 -8.3251 -8.3251 6.2163 6.2163 11.6530 11.6530 11.6983 11.6983 12.3164 12.3164 14.9033 14.9033 k = 0.0000 0.0000 0.2768 ( 958 PWs) bands (ev): -27.2243 -27.2243 -9.6019 -9.6019 -8.4837 -8.4837 -8.4108 -8.4108 6.2841 6.2841 11.7032 11.7032 11.7489 11.7489 12.5102 12.5102 14.7107 14.7107 k = 0.0000 0.0000 0.2889 ( 958 PWs) bands (ev): -27.2020 -27.2020 -9.6275 -9.6275 -8.4905 -8.4905 -8.4654 -8.4654 6.3544 6.3544 11.7554 11.7554 11.8013 11.8013 12.7027 12.7027 14.5214 14.5214 k = 0.0000 0.0000 0.3009 ( 958 PWs) bands (ev): -27.1791 -27.1791 -9.6607 -9.6607 -8.5627 -8.5627 -8.4467 -8.4467 6.4272 6.4272 11.8094 11.8094 11.8557 11.8557 12.8923 12.8923 14.3354 14.3354 k = 0.0000 0.0000 0.3129 ( 958 PWs) bands (ev): -27.1558 -27.1558 -9.7024 -9.7024 -8.6264 -8.6264 -8.4275 -8.4275 6.5025 6.5025 11.8652 11.8652 11.9118 11.9118 13.0771 13.0771 14.1530 14.1530 k = 0.0000 0.0000 0.3250 ( 964 PWs) bands (ev): -27.1319 -27.1319 -9.7532 -9.7532 -8.6807 -8.6807 -8.4081 -8.4081 6.5804 6.5804 11.9227 11.9227 11.9697 11.9697 13.2548 13.2548 13.9743 13.9743 k = 0.0000 0.0000 0.3370 ( 964 PWs) bands (ev): -27.1078 -27.1078 -9.8128 -9.8128 -8.7254 -8.7254 -8.3884 -8.3884 6.6607 6.6607 11.9819 11.9819 12.0293 12.0293 13.4230 13.4230 13.7998 13.7998 k = 0.0000 0.0000 0.3491 ( 976 PWs) bands (ev): -27.0832 -27.0832 -9.8809 -9.8809 -8.7609 -8.7609 -8.3684 -8.3684 6.7436 6.7436 12.0427 12.0427 12.0905 12.0905 13.5722 13.5722 13.6364 13.6364 k = 0.0000 0.0000 0.3611 ( 976 PWs) bands (ev): -27.0584 -27.0584 -9.9564 -9.9564 -8.7878 -8.7878 -8.3483 -8.3483 6.8289 6.8289 12.1049 12.1049 12.1532 12.1532 13.4580 13.4580 13.5302 13.5302 k = 0.0000 0.0000 0.3731 ( 976 PWs) bands (ev): -27.0335 -27.0335 -10.0380 -10.0380 -8.8073 -8.8073 -8.3280 -8.3280 6.9167 6.9167 12.1685 12.1685 12.2174 12.2174 13.2959 13.2959 13.3652 13.3652 k = 0.0000 0.0000 0.3852 ( 976 PWs) bands (ev): -27.0083 -27.0083 -10.1244 -10.1244 -8.8205 -8.8205 -8.3077 -8.3077 7.0070 7.0070 12.2334 12.2334 12.2829 12.2829 13.1373 13.1373 13.2045 13.2045 k = 0.0000 0.0000 0.3972 ( 976 PWs) bands (ev): -26.9831 -26.9831 -10.2144 -10.2144 -8.8284 -8.8284 -8.2873 -8.2873 7.0997 7.0997 12.2995 12.2995 12.3496 12.3496 12.9829 12.9829 13.0483 13.0483 k = 0.0000 0.0000 0.4092 ( 976 PWs) bands (ev): -26.9579 -26.9579 -10.3067 -10.3067 -8.8321 -8.8321 -8.2669 -8.2669 7.1949 7.1949 12.3664 12.3664 12.4174 12.4174 12.8329 12.8329 12.8966 12.8966 k = 0.0000 0.0000 0.4213 ( 994 PWs) bands (ev): -26.9328 -26.9328 -10.4003 -10.4003 -8.8323 -8.8323 -8.2467 -8.2467 7.2925 7.2925 12.4337 12.4337 12.4863 12.4863 12.6874 12.6874 12.7501 12.7501 k = 0.0000 0.0000 0.4333 ( 994 PWs) bands (ev): -26.9077 -26.9077 -10.4945 -10.4945 -8.8297 -8.8297 -8.2266 -8.2266 7.3926 7.3926 12.4980 12.4980 12.5465 12.5465 12.5560 12.5560 12.6122 12.6122 k = 0.0000 0.0000 0.4454 ( 994 PWs) bands (ev): -26.8829 -26.8829 -10.5884 -10.5884 -8.8250 -8.8250 -8.2067 -8.2067 7.4950 7.4950 12.4103 12.4103 12.4597 12.4597 12.5822 12.5822 12.6264 12.6264 k = 0.0000 0.0000 0.4574 ( 994 PWs) bands (ev): -26.8584 -26.8584 -10.6815 -10.6815 -8.8186 -8.8186 -8.1870 -8.1870 7.5998 7.5998 12.2789 12.2789 12.3308 12.3308 12.6483 12.6483 12.6973 12.6973 k = 0.0000 0.0000 0.4694 ( 994 PWs) bands (ev): -26.8341 -26.8341 -10.7732 -10.7732 -8.8109 -8.8109 -8.1677 -8.1677 7.7069 7.7069 12.1525 12.1525 12.2034 12.2034 12.7180 12.7180 12.7687 12.7687 k = 0.0000 0.0000 0.4815 ( 994 PWs) bands (ev): -26.8104 -26.8104 -10.8631 -10.8631 -8.8021 -8.8021 -8.1487 -8.1487 7.8163 7.8163 12.0310 12.0310 12.0806 12.0806 12.7885 12.7885 12.8402 12.8402 k = 0.0000 0.0000 0.4935 ( 994 PWs) bands (ev): -26.7870 -26.7870 -10.9507 -10.9507 -8.7926 -8.7926 -8.1301 -8.1301 7.9280 7.9280 11.9145 11.9145 11.9626 11.9626 12.8591 12.8591 12.9117 12.9117 k = 0.0000 0.0000 0.5055 ( 994 PWs) bands (ev): -26.7643 -26.7643 -11.0358 -11.0358 -8.7826 -8.7826 -8.1120 -8.1120 8.0419 8.0419 11.8033 11.8033 11.8497 11.8497 12.9295 12.9295 12.9829 12.9829 k = 0.0000 0.0000 0.5176 ( 982 PWs) bands (ev): -26.7422 -26.7422 -11.1181 -11.1181 -8.7723 -8.7723 -8.0945 -8.0945 8.1580 8.1580 11.6972 11.6972 11.7421 11.7421 12.9995 12.9995 13.0536 13.0536 k = 0.0000 0.0000 0.5296 ( 970 PWs) bands (ev): -26.7208 -26.7208 -11.1972 -11.1972 -8.7619 -8.7619 -8.0775 -8.0775 8.2761 8.2761 11.5964 11.5964 11.6397 11.6397 13.0687 13.0687 13.1236 13.1236 k = 0.0000 0.0000 0.5416 ( 970 PWs) bands (ev): -26.7001 -26.7001 -11.2729 -11.2729 -8.7514 -8.7514 -8.0612 -8.0612 8.3961 8.3961 11.5010 11.5010 11.5428 11.5428 13.1368 13.1368 13.1925 13.1925 k = 0.0000 0.0000 0.5537 ( 964 PWs) bands (ev): -26.6804 -26.6804 -11.3450 -11.3450 -8.7410 -8.7410 -8.0456 -8.0456 8.5181 8.5181 11.4110 11.4110 11.4514 11.4514 13.2035 13.2035 13.2600 13.2600 k = 0.0000 0.0000 0.5657 ( 964 PWs) bands (ev): -26.6615 -26.6615 -11.4133 -11.4133 -8.7309 -8.7309 -8.0308 -8.0308 8.6418 8.6418 11.3265 11.3265 11.3655 11.3655 13.1320 13.1320 13.2686 13.2686 k = 0.0000 0.0000 0.5778 ( 964 PWs) bands (ev): -26.6436 -26.6436 -11.4777 -11.4777 -8.7211 -8.7211 -8.0167 -8.0167 8.7670 8.7670 11.2475 11.2475 11.2852 11.2852 12.9845 12.9845 13.3316 13.3316 k = 0.0000 0.0000 0.5898 ( 976 PWs) bands (ev): -26.6268 -26.6268 -11.5379 -11.5379 -8.7117 -8.7117 -8.0035 -8.0035 8.8936 8.8936 11.1741 11.1741 11.2106 11.2106 12.8345 12.8345 13.3922 13.3922 k = 0.0000 0.0000 0.6018 ( 976 PWs) bands (ev): -26.6110 -26.6110 -11.5938 -11.5938 -8.7027 -8.7027 -7.9911 -7.9911 9.0213 9.0213 11.1064 11.1064 11.1417 11.1417 12.6830 12.6830 13.4500 13.4500 k = 0.0000 0.0000 0.6139 ( 976 PWs) bands (ev): -26.5964 -26.5964 -11.6453 -11.6453 -8.6944 -8.6944 -7.9797 -7.9797 9.1497 9.1497 11.0445 11.0445 11.0787 11.0787 12.5311 12.5311 13.5046 13.5046 k = 0.0000 0.0000 0.6259 ( 964 PWs) bands (ev): -26.5831 -26.5831 -11.6922 -11.6922 -8.6866 -8.6866 -7.9692 -7.9692 9.2783 9.2783 10.9883 10.9883 11.0215 11.0215 12.3798 12.3798 13.5557 13.5557 k = 0.0000 0.0000 0.6379 ( 964 PWs) bands (ev): -26.5710 -26.5710 -11.7345 -11.7345 -8.6796 -8.6796 -7.9598 -7.9598 9.4064 9.4064 10.9379 10.9379 10.9702 10.9702 12.2304 12.2304 13.6027 13.6027 k = 0.0000 0.0000 0.6500 ( 970 PWs) bands (ev): -26.5602 -26.5602 -11.7721 -11.7721 -8.6732 -8.6732 -7.9513 -7.9513 9.5332 9.5332 10.8933 10.8933 10.9248 10.9248 12.0840 12.0840 13.6454 13.6454 k = 0.0000 0.0000 0.6620 ( 970 PWs) bands (ev): -26.5507 -26.5507 -11.8048 -11.8048 -8.6676 -8.6676 -7.9440 -7.9440 9.6571 9.6571 10.8546 10.8546 10.8854 10.8854 11.9425 11.9425 13.6832 13.6832 k = 0.0000 0.0000 0.6740 ( 970 PWs) bands (ev): -26.5427 -26.5427 -11.8326 -11.8326 -8.6628 -8.6628 -7.9377 -7.9377 9.7762 9.7762 10.8218 10.8218 10.8520 10.8520 11.8081 11.8081 13.7160 13.7160 k = 0.0000 0.0000 0.6861 ( 970 PWs) bands (ev): -26.5360 -26.5360 -11.8554 -11.8554 -8.6589 -8.6589 -7.9325 -7.9325 9.8875 9.8875 10.7949 10.7949 10.8246 10.8246 11.6840 11.6840 13.7433 13.7433 k = 0.0000 0.0000 0.6981 ( 970 PWs) bands (ev): -26.5309 -26.5309 -11.8732 -11.8732 -8.6558 -8.6558 -7.9285 -7.9285 9.9864 9.9864 10.7741 10.7741 10.8033 10.8033 11.5749 11.5749 13.7648 13.7648 k = 0.0000 0.0000 0.7102 ( 970 PWs) bands (ev): -26.5271 -26.5271 -11.8860 -11.8860 -8.6535 -8.6535 -7.9256 -7.9256 10.0666 10.0666 10.7591 10.7591 10.7881 10.7881 11.4873 11.4873 13.7804 13.7804 k = 0.0000 0.0000 0.7222 ( 982 PWs) bands (ev): -26.5249 -26.5249 -11.8937 -11.8937 -8.6522 -8.6522 -7.9239 -7.9239 10.1200 10.1200 10.7502 10.7502 10.7789 10.7789 11.4295 11.4295 13.7898 13.7898 k = 0.0000 0.0000 0.7342 ( 982 PWs) bands (ev): -26.5242 -26.5242 -11.8962 -11.8962 -8.6517 -8.6517 -7.9233 -7.9233 10.1389 10.1389 10.7472 10.7472 10.7759 10.7759 11.4092 11.4092 13.7930 13.7930 k = 0.0000 0.0000 0.7342 ( 982 PWs) bands (ev): -26.5242 -26.5242 -11.8962 -11.8962 -8.6517 -8.6517 -7.9233 -7.9233 10.1389 10.1389 10.7472 10.7472 10.7759 10.7759 11.4092 11.4092 13.7930 13.7930 k = 0.0104 0.0060 0.7342 ( 982 PWs) bands (ev): -26.5241 -26.5241 -11.8961 -11.8961 -8.6520 -8.6520 -7.9235 -7.9235 10.1414 10.1414 10.7305 10.7305 10.7672 10.7672 11.4353 11.4353 13.7927 13.7927 k = 0.0208 0.0120 0.7342 ( 982 PWs) bands (ev): -26.5240 -26.5240 -11.8959 -11.8959 -8.6526 -8.6526 -7.9243 -7.9243 10.1488 10.1488 10.6706 10.6706 10.7602 10.7602 11.5044 11.5044 13.7913 13.7913 k = 0.0312 0.0180 0.7342 ( 980 PWs) bands (ev): -26.5238 -26.5238 -11.8955 -11.8955 -8.6537 -8.6537 -7.9256 -7.9256 10.1611 10.1611 10.5838 10.5838 10.7549 10.7549 11.6003 11.6003 13.7865 13.7865 k = 0.0417 0.0241 0.7342 ( 976 PWs) bands (ev): -26.5236 -26.5236 -11.8950 -11.8950 -8.6552 -8.6552 -7.9273 -7.9273 10.1784 10.1784 10.4841 10.4841 10.7487 10.7487 11.7114 11.7114 13.7764 13.7764 k = 0.0521 0.0301 0.7342 ( 964 PWs) bands (ev): -26.5233 -26.5233 -11.8944 -11.8944 -8.6572 -8.6572 -7.9295 -7.9295 10.2004 10.2004 10.3782 10.3782 10.7411 10.7411 11.8316 11.8316 13.7607 13.7607 k = 0.0625 0.0361 0.7342 ( 960 PWs) bands (ev): -26.5229 -26.5229 -11.8936 -11.8936 -8.6596 -8.6596 -7.9322 -7.9322 10.2269 10.2269 10.2699 10.2699 10.7321 10.7321 11.9575 11.9575 13.7399 13.7399 k = 0.0729 0.0421 0.7342 ( 968 PWs) bands (ev): -26.5224 -26.5224 -11.8926 -11.8926 -8.6624 -8.6624 -7.9354 -7.9354 10.1594 10.1594 10.2592 10.2592 10.7216 10.7216 12.0870 12.0870 13.7148 13.7148 k = 0.0833 0.0481 0.7342 ( 968 PWs) bands (ev): -26.5219 -26.5219 -11.8916 -11.8916 -8.6656 -8.6656 -7.9390 -7.9390 10.0500 10.0500 10.2952 10.2952 10.7097 10.7097 12.2192 12.2192 13.6861 13.6861 k = 0.0938 0.0541 0.7342 ( 968 PWs) bands (ev): -26.5213 -26.5213 -11.8903 -11.8903 -8.6691 -8.6691 -7.9430 -7.9430 9.9413 9.9413 10.3358 10.3358 10.6964 10.6964 12.3530 12.3530 13.6544 13.6544 k = 0.1042 0.0601 0.7342 ( 972 PWs) bands (ev): -26.5207 -26.5207 -11.8890 -11.8890 -8.6731 -8.6731 -7.9474 -7.9474 9.8338 9.8338 10.3808 10.3808 10.6820 10.6820 12.4879 12.4879 13.6204 13.6204 k = 0.1146 0.0662 0.7342 ( 976 PWs) bands (ev): -26.5200 -26.5200 -11.8876 -11.8876 -8.6775 -8.6775 -7.9521 -7.9521 9.7279 9.7279 10.4299 10.4299 10.6664 10.6664 12.6233 12.6233 13.5844 13.5844 k = 0.1250 0.0722 0.7342 ( 976 PWs) bands (ev): -26.5193 -26.5193 -11.8860 -11.8860 -8.6822 -8.6822 -7.9572 -7.9572 9.6238 9.6238 10.4828 10.4828 10.6499 10.6499 12.7588 12.7588 13.5472 13.5472 k = 0.1354 0.0782 0.7342 ( 976 PWs) bands (ev): -26.5185 -26.5185 -11.8844 -11.8844 -8.6872 -8.6872 -7.9626 -7.9626 9.5216 9.5216 10.5391 10.5391 10.6328 10.6328 12.8938 12.8938 13.5093 13.5093 k = 0.1458 0.0842 0.7342 ( 972 PWs) bands (ev): -26.5176 -26.5176 -11.8826 -11.8826 -8.6925 -8.6925 -7.9683 -7.9683 9.4216 9.4216 10.5931 10.5931 10.6206 10.6206 13.0279 13.0279 13.4713 13.4713 k = 0.1562 0.0902 0.7342 ( 976 PWs) bands (ev): -26.5167 -26.5167 -11.8807 -11.8807 -8.6982 -8.6982 -7.9742 -7.9742 9.3237 9.3237 10.5908 10.5908 10.6671 10.6671 13.1601 13.1601 13.4341 13.4341 k = 0.1667 0.0962 0.7342 ( 972 PWs) bands (ev): -26.5158 -26.5158 -11.8788 -11.8788 -8.7041 -8.7041 -7.9803 -7.9803 9.2282 9.2282 10.5718 10.5718 10.7325 10.7325 13.2881 13.2881 13.4003 13.4003 k = 0.1771 0.1022 0.7342 ( 968 PWs) bands (ev): -26.5148 -26.5148 -11.8768 -11.8768 -8.7103 -8.7103 -7.9866 -7.9866 9.1351 9.1351 10.5514 10.5514 10.8011 10.8011 13.3520 13.3520 13.4299 13.4299 k = 0.1875 0.1083 0.7342 ( 964 PWs) bands (ev): -26.5138 -26.5138 -11.8747 -11.8747 -8.7168 -8.7168 -7.9931 -7.9931 9.0444 9.0444 10.5304 10.5304 10.8718 10.8718 13.3245 13.3245 13.5502 13.5502 k = 0.1979 0.1143 0.7342 ( 964 PWs) bands (ev): -26.5128 -26.5128 -11.8726 -11.8726 -8.7234 -8.7234 -7.9997 -7.9997 8.9562 8.9562 10.5089 10.5089 10.9438 10.9438 13.2958 13.2958 13.6713 13.6713 k = 0.2083 0.1203 0.7342 ( 964 PWs) bands (ev): -26.5117 -26.5117 -11.8704 -11.8704 -8.7302 -8.7302 -8.0063 -8.0063 8.8706 8.8706 10.4871 10.4871 11.0165 11.0165 13.2704 13.2704 13.7888 13.7888 k = 0.2188 0.1263 0.7342 ( 964 PWs) bands (ev): -26.5107 -26.5107 -11.8682 -11.8682 -8.7372 -8.7372 -8.0131 -8.0131 8.7876 8.7876 10.4651 10.4651 11.0891 11.0891 13.2499 13.2499 13.9016 13.9016 k = 0.2292 0.1323 0.7342 ( 960 PWs) bands (ev): -26.5096 -26.5096 -11.8659 -11.8659 -8.7443 -8.7443 -8.0198 -8.0198 8.7073 8.7073 10.4430 10.4430 11.1606 11.1606 13.2352 13.2352 14.0089 14.0089 k = 0.2396 0.1383 0.7342 ( 960 PWs) bands (ev): -26.5085 -26.5085 -11.8636 -11.8636 -8.7515 -8.7515 -8.0265 -8.0265 8.6297 8.6297 10.4209 10.4209 11.2300 11.2300 13.2276 13.2276 14.1100 14.1100 k = 0.2500 0.1443 0.7342 ( 956 PWs) bands (ev): -26.5074 -26.5074 -11.8614 -11.8614 -8.7587 -8.7587 -8.0332 -8.0332 8.5549 8.5549 10.3990 10.3990 11.2964 11.2964 13.2281 13.2281 14.2044 14.2044 k = 0.2604 0.1504 0.7342 ( 956 PWs) bands (ev): -26.5063 -26.5063 -11.8591 -11.8591 -8.7660 -8.7660 -8.0398 -8.0398 8.4828 8.4828 10.3773 10.3773 11.3585 11.3585 13.2379 13.2379 14.2916 14.2916 k = 0.2708 0.1564 0.7342 ( 956 PWs) bands (ev): -26.5052 -26.5052 -11.8568 -11.8568 -8.7733 -8.7733 -8.0464 -8.0464 8.4135 8.4135 10.3558 10.3558 11.4153 11.4153 13.2582 13.2582 14.3711 14.3711 k = 0.2812 0.1624 0.7342 ( 960 PWs) bands (ev): -26.5041 -26.5041 -11.8545 -11.8545 -8.7806 -8.7806 -8.0528 -8.0528 8.3471 8.3471 10.3348 10.3348 11.4658 11.4658 13.2897 13.2897 14.4427 14.4427 k = 0.2917 0.1684 0.7342 ( 958 PWs) bands (ev): -26.5030 -26.5030 -11.8523 -11.8523 -8.7878 -8.7878 -8.0590 -8.0590 8.2836 8.2836 10.3142 10.3142 11.5096 11.5096 13.3331 13.3331 14.5063 14.5063 k = 0.3021 0.1744 0.7342 ( 958 PWs) bands (ev): -26.5020 -26.5020 -11.8501 -11.8501 -8.7949 -8.7949 -8.0651 -8.0651 8.2230 8.2230 10.2941 10.2941 11.5461 11.5461 13.3888 13.3888 14.5620 14.5620 k = 0.3125 0.1804 0.7342 ( 958 PWs) bands (ev): -26.5009 -26.5009 -11.8480 -11.8480 -8.8019 -8.8019 -8.0710 -8.0710 8.1653 8.1653 10.2747 10.2747 11.5753 11.5753 13.4565 13.4565 14.6099 14.6099 k = 0.3229 0.1864 0.7342 ( 968 PWs) bands (ev): -26.4999 -26.4999 -11.8459 -11.8459 -8.8087 -8.8087 -8.0767 -8.0767 8.1106 8.1106 10.2559 10.2559 11.5977 11.5977 13.5358 13.5358 14.6506 14.6506 k = 0.3333 0.1925 0.7342 ( 968 PWs) bands (ev): -26.4989 -26.4989 -11.8439 -11.8439 -8.8153 -8.8153 -8.0822 -8.0822 8.0589 8.0589 10.2378 10.2378 11.6138 11.6138 13.6258 13.6258 14.6845 14.6845 k = 0.3438 0.1985 0.7342 ( 968 PWs) bands (ev): -26.4980 -26.4980 -11.8419 -11.8419 -8.8217 -8.8217 -8.0874 -8.0874 8.0102 8.0102 10.2206 10.2206 11.6245 11.6245 13.7255 13.7255 14.7123 14.7123 k = 0.3542 0.2045 0.7342 ( 968 PWs) bands (ev): -26.4971 -26.4971 -11.8401 -11.8401 -8.8278 -8.8278 -8.0924 -8.0924 7.9646 7.9646 10.2042 10.2042 11.6305 11.6305 13.8337 13.8337 14.7346 14.7346 k = 0.3646 0.2105 0.7342 ( 968 PWs) bands (ev): -26.4962 -26.4962 -11.8383 -11.8383 -8.8337 -8.8337 -8.0970 -8.0970 7.9220 7.9220 10.1887 10.1887 11.6327 11.6327 13.9490 13.9490 14.7522 14.7522 k = 0.3750 0.2165 0.7342 ( 968 PWs) bands (ev): -26.4954 -26.4954 -11.8366 -11.8366 -8.8393 -8.8393 -8.1014 -8.1014 7.8825 7.8825 10.1742 10.1742 11.6320 11.6320 14.0700 14.0700 14.7657 14.7657 k = 0.3854 0.2225 0.7342 ( 968 PWs) bands (ev): -26.4947 -26.4947 -11.8350 -11.8350 -8.8445 -8.8445 -8.1055 -8.1055 7.8461 7.8461 10.1607 10.1607 11.6291 11.6291 14.1951 14.1951 14.7762 14.7762 k = 0.3958 0.2285 0.7342 ( 968 PWs) bands (ev): -26.4940 -26.4940 -11.8336 -11.8336 -8.8493 -8.8493 -8.1092 -8.1092 7.8128 7.8128 10.1482 10.1482 11.6247 11.6247 14.3226 14.3226 14.7843 14.7843 k = 0.4062 0.2345 0.7342 ( 968 PWs) bands (ev): -26.4933 -26.4933 -11.8323 -11.8323 -8.8538 -8.8538 -8.1127 -8.1127 7.7826 7.7826 10.1368 10.1368 11.6193 11.6193 14.4502 14.4502 14.7914 14.7914 k = 0.4167 0.2406 0.7342 ( 968 PWs) bands (ev): -26.4928 -26.4928 -11.8310 -11.8310 -8.8578 -8.8578 -8.1158 -8.1158 7.7555 7.7555 10.1266 10.1266 11.6133 11.6133 14.5739 14.5739 14.8001 14.8001 k = 0.4271 0.2466 0.7342 ( 968 PWs) bands (ev): -26.4922 -26.4922 -11.8300 -11.8300 -8.8615 -8.8615 -8.1185 -8.1185 7.7316 7.7316 10.1174 10.1174 11.6073 11.6073 14.6829 14.6829 14.8196 14.8196 k = 0.4375 0.2526 0.7342 ( 968 PWs) bands (ev): -26.4918 -26.4918 -11.8290 -11.8290 -8.8646 -8.8646 -8.1209 -8.1209 7.7109 7.7109 10.1094 10.1094 11.6015 11.6015 14.7461 14.7461 14.8787 14.8787 k = 0.4479 0.2586 0.7342 ( 968 PWs) bands (ev): -26.4914 -26.4914 -11.8282 -11.8282 -8.8673 -8.8673 -8.1229 -8.1229 7.6933 7.6933 10.1027 10.1027 11.5962 11.5962 14.7648 14.7648 14.9735 14.9735 k = 0.4583 0.2646 0.7342 ( 972 PWs) bands (ev): -26.4911 -26.4911 -11.8275 -11.8275 -8.8696 -8.8696 -8.1246 -8.1246 7.6790 7.6790 10.0971 10.0971 11.5915 11.5915 14.7704 14.7704 15.0692 15.0692 k = 0.4688 0.2706 0.7342 ( 966 PWs) bands (ev): -26.4908 -26.4908 -11.8270 -11.8270 -8.8713 -8.8713 -8.1259 -8.1259 7.6678 7.6678 10.0927 10.0927 11.5878 11.5878 14.7724 14.7724 15.1524 15.1524 k = 0.4792 0.2766 0.7342 ( 966 PWs) bands (ev): -26.4906 -26.4906 -11.8266 -11.8266 -8.8726 -8.8726 -8.1269 -8.1269 7.6598 7.6598 10.0896 10.0896 11.5850 11.5850 14.7732 14.7732 15.2167 15.2167 k = 0.4896 0.2827 0.7342 ( 964 PWs) bands (ev): -26.4905 -26.4905 -11.8264 -11.8264 -8.8734 -8.8734 -8.1274 -8.1274 7.6550 7.6550 10.0877 10.0877 11.5833 11.5833 14.7734 14.7734 15.2574 15.2574 k = 0.5000 0.2887 0.7342 ( 964 PWs) bands (ev): -26.4905 -26.4905 -11.8263 -11.8263 -8.8736 -8.8736 -8.1276 -8.1276 7.6534 7.6534 10.0871 10.0871 11.5827 11.5827 14.7735 14.7735 15.2714 15.2714 k = 0.5000 0.2887 0.7342 ( 964 PWs) bands (ev): -26.4905 -26.4905 -11.8263 -11.8263 -8.8736 -8.8736 -8.1276 -8.1276 7.6534 7.6534 10.0871 10.0871 11.5827 11.5827 14.7735 14.7735 15.2714 15.2714 k = 0.4940 0.2990 0.7342 ( 964 PWs) bands (ev): -26.4905 -26.4905 -11.8263 -11.8263 -8.8736 -8.8736 -8.1278 -8.1278 7.6544 7.6544 10.0822 10.0822 11.5856 11.5856 14.7817 14.7817 15.2596 15.2596 k = 0.4881 0.3093 0.7342 ( 964 PWs) bands (ev): -26.4904 -26.4904 -11.8262 -11.8262 -8.8736 -8.8736 -8.1283 -8.1283 7.6575 7.6575 10.0674 10.0674 11.5941 11.5941 14.8060 14.8060 15.2258 15.2258 k = 0.4821 0.3196 0.7342 ( 960 PWs) bands (ev): -26.4904 -26.4904 -11.8261 -11.8261 -8.8736 -8.8736 -8.1291 -8.1291 7.6627 7.6627 10.0433 10.0433 11.6083 11.6083 14.8455 14.8455 15.1745 15.1745 k = 0.4762 0.3299 0.7342 ( 962 PWs) bands (ev): -26.4903 -26.4903 -11.8260 -11.8260 -8.8735 -8.8735 -8.1303 -8.1303 7.6698 7.6698 10.0103 10.0103 11.6280 11.6280 14.8971 14.8971 15.1128 15.1128 k = 0.4702 0.3402 0.7342 ( 958 PWs) bands (ev): -26.4902 -26.4902 -11.8257 -11.8257 -8.8735 -8.8735 -8.1317 -8.1317 7.6791 7.6791 9.9691 9.9691 11.6534 11.6534 14.9430 14.9430 15.0617 15.0617 k = 0.4643 0.3505 0.7342 ( 954 PWs) bands (ev): -26.4901 -26.4901 -11.8255 -11.8255 -8.8734 -8.8734 -8.1335 -8.1335 7.6903 7.6903 9.9205 9.9205 11.6842 11.6842 14.9128 14.9128 15.0943 15.0943 k = 0.4583 0.3608 0.7342 ( 954 PWs) bands (ev): -26.4899 -26.4899 -11.8252 -11.8252 -8.8734 -8.8734 -8.1355 -8.1355 7.7036 7.7036 9.8655 9.8655 11.7204 11.7204 14.8340 14.8340 15.1845 15.1845 k = 0.4524 0.3712 0.7342 ( 954 PWs) bands (ev): -26.4898 -26.4898 -11.8249 -11.8249 -8.8733 -8.8733 -8.1378 -8.1378 7.7190 7.7190 9.8049 9.8049 11.7618 11.7618 14.7454 14.7454 15.2944 15.2944 k = 0.4464 0.3815 0.7342 ( 952 PWs) bands (ev): -26.4896 -26.4896 -11.8245 -11.8245 -8.8733 -8.8733 -8.1402 -8.1402 7.7363 7.7363 9.7397 9.7397 11.8083 11.8083 14.6536 14.6536 15.4178 15.4178 k = 0.4405 0.3918 0.7342 ( 956 PWs) bands (ev): -26.4894 -26.4894 -11.8241 -11.8241 -8.8732 -8.8732 -8.1429 -8.1429 7.7556 7.7556 9.6706 9.6706 11.8597 11.8597 14.5606 14.5606 15.5527 15.5527 k = 0.4345 0.4021 0.7342 ( 960 PWs) bands (ev): -26.4892 -26.4892 -11.8237 -11.8237 -8.8732 -8.8732 -8.1457 -8.1457 7.7769 7.7769 9.5985 9.5985 11.9159 11.9159 14.4675 14.4675 15.6979 15.6979 k = 0.4286 0.4124 0.7342 ( 964 PWs) bands (ev): -26.4890 -26.4890 -11.8232 -11.8232 -8.8732 -8.8732 -8.1486 -8.1486 7.8001 7.8001 9.5242 9.5242 11.9766 11.9766 14.3750 14.3750 15.8524 15.8524 k = 0.4226 0.4227 0.7342 ( 964 PWs) bands (ev): -26.4888 -26.4888 -11.8228 -11.8228 -8.8732 -8.8732 -8.1516 -8.1516 7.8253 7.8253 9.4483 9.4483 12.0415 12.0415 14.2835 14.2835 16.0155 16.0155 k = 0.4167 0.4330 0.7342 ( 964 PWs) bands (ev): -26.4885 -26.4885 -11.8223 -11.8223 -8.8733 -8.8733 -8.1547 -8.1547 7.8525 7.8525 9.3714 9.3714 12.1103 12.1103 14.1935 14.1935 16.1865 16.1865 k = 0.4107 0.4433 0.7342 ( 960 PWs) bands (ev): -26.4883 -26.4883 -11.8218 -11.8218 -8.8734 -8.8734 -8.1577 -8.1577 7.8815 7.8815 9.2942 9.2942 12.1828 12.1828 14.1052 14.1052 16.3647 16.3647 k = 0.4048 0.4536 0.7342 ( 958 PWs) bands (ev): -26.4881 -26.4881 -11.8213 -11.8213 -8.8735 -8.8735 -8.1608 -8.1608 7.9124 7.9124 9.2170 9.2170 12.2584 12.2584 14.0188 14.0188 16.5495 16.5495 k = 0.3988 0.4639 0.7342 ( 958 PWs) bands (ev): -26.4878 -26.4878 -11.8208 -11.8208 -8.8737 -8.8737 -8.1637 -8.1637 7.9451 7.9451 9.1403 9.1403 12.3368 12.3368 13.9346 13.9346 16.7405 16.7405 k = 0.3929 0.4743 0.7342 ( 954 PWs) bands (ev): -26.4876 -26.4876 -11.8204 -11.8204 -8.8738 -8.8738 -8.1665 -8.1665 7.9796 7.9796 9.0646 9.0646 12.4174 12.4174 13.8525 13.8525 16.9370 16.9370 k = 0.3869 0.4846 0.7342 ( 954 PWs) bands (ev): -26.4874 -26.4874 -11.8199 -11.8199 -8.8740 -8.8740 -8.1692 -8.1692 8.0160 8.0160 8.9901 8.9901 12.4997 12.4997 13.7729 13.7729 17.1386 17.1386 k = 0.3810 0.4949 0.7342 ( 954 PWs) bands (ev): -26.4872 -26.4872 -11.8195 -11.8195 -8.8743 -8.8743 -8.1718 -8.1718 8.0540 8.0540 8.9172 8.9172 12.5829 12.5829 13.6957 13.6957 17.2657 17.2657 k = 0.3750 0.5052 0.7342 ( 954 PWs) bands (ev): -26.4870 -26.4870 -11.8191 -11.8191 -8.8745 -8.8745 -8.1741 -8.1741 8.0938 8.0938 8.8461 8.8461 12.6665 12.6665 13.6212 13.6212 17.2092 17.2092 k = 0.3690 0.5155 0.7342 ( 952 PWs) bands (ev): -26.4868 -26.4868 -11.8187 -11.8187 -8.8748 -8.8748 -8.1761 -8.1761 8.1353 8.1353 8.7771 8.7771 12.7494 12.7494 13.5493 13.5493 17.1567 17.1567 k = 0.3631 0.5258 0.7342 ( 948 PWs) bands (ev): -26.4867 -26.4867 -11.8184 -11.8184 -8.8750 -8.8750 -8.1779 -8.1779 8.1784 8.1784 8.7105 8.7105 12.8308 12.8308 13.4801 13.4801 17.1093 17.1093 k = 0.3571 0.5361 0.7342 ( 944 PWs) bands (ev): -26.4865 -26.4865 -11.8181 -11.8181 -8.8753 -8.8753 -8.1795 -8.1795 8.2231 8.2231 8.6463 8.6463 12.9097 12.9097 13.4138 13.4138 17.0680 17.0680 k = 0.3512 0.5464 0.7342 ( 944 PWs) bands (ev): -26.4864 -26.4864 -11.8179 -11.8179 -8.8755 -8.8755 -8.1807 -8.1807 8.2693 8.2693 8.5847 8.5847 12.9848 12.9848 13.3504 13.3504 17.0340 17.0340 k = 0.3452 0.5567 0.7342 ( 940 PWs) bands (ev): -26.4863 -26.4863 -11.8177 -11.8177 -8.8757 -8.8757 -8.1815 -8.1815 8.3169 8.3169 8.5261 8.5261 13.0551 13.0551 13.2900 13.2900 17.0083 17.0083 k = 0.3393 0.5670 0.7342 ( 940 PWs) bands (ev): -26.4863 -26.4863 -11.8176 -11.8176 -8.8758 -8.8758 -8.1821 -8.1821 8.3657 8.3657 8.4706 8.4706 13.1189 13.1189 13.2329 13.2329 16.9922 16.9922 k = 0.3333 0.5774 0.7342 ( 936 PWs) bands (ev): -26.4863 -26.4863 -11.8176 -11.8176 -8.8759 -8.8759 -8.1823 -8.1823 8.4083 8.4083 8.4258 8.4258 13.1661 13.1661 13.1882 13.1882 16.9866 16.9866 k = 0.3333 0.5774 0.7342 ( 936 PWs) bands (ev): -26.4863 -26.4863 -11.8176 -11.8176 -8.8759 -8.8759 -8.1823 -8.1823 8.4083 8.4083 8.4258 8.4258 13.1661 13.1661 13.1882 13.1882 16.9866 16.9866 k = 0.3273 0.5669 0.7342 ( 940 PWs) bands (ev): -26.4863 -26.4863 -11.8176 -11.8176 -8.8758 -8.8758 -8.1821 -8.1821 8.3658 8.3658 8.4706 8.4706 13.1234 13.1234 13.2279 13.2279 16.9926 16.9926 k = 0.3212 0.5564 0.7342 ( 944 PWs) bands (ev): -26.4863 -26.4863 -11.8177 -11.8177 -8.8756 -8.8756 -8.1815 -8.1815 8.3190 8.3190 8.5244 8.5244 13.0746 13.0746 13.2672 13.2672 17.0113 17.0113 k = 0.3152 0.5459 0.7342 ( 948 PWs) bands (ev): -26.4864 -26.4864 -11.8179 -11.8179 -8.8753 -8.8753 -8.1805 -8.1805 8.2754 8.2754 8.5797 8.5797 13.0286 13.0286 13.2964 13.2964 17.0427 17.0427 k = 0.3091 0.5354 0.7342 ( 948 PWs) bands (ev): -26.4866 -26.4866 -11.8182 -11.8182 -8.8748 -8.8748 -8.1792 -8.1792 8.2354 8.2354 8.6361 8.6361 12.9858 12.9858 13.3146 13.3146 17.0867 17.0867 k = 0.3030 0.5249 0.7342 ( 952 PWs) bands (ev): -26.4868 -26.4868 -11.8186 -11.8186 -8.8741 -8.8741 -8.1775 -8.1775 8.1989 8.1989 8.6937 8.6937 12.9462 12.9462 13.3215 13.3215 17.1422 17.1422 k = 0.2970 0.5144 0.7342 ( 952 PWs) bands (ev): -26.4870 -26.4870 -11.8191 -11.8191 -8.8733 -8.8733 -8.1754 -8.1754 8.1661 8.1661 8.7523 8.7523 12.9098 12.9098 13.3171 13.3171 17.2073 17.2073 k = 0.2909 0.5039 0.7342 ( 952 PWs) bands (ev): -26.4873 -26.4873 -11.8197 -11.8197 -8.8721 -8.8721 -8.1729 -8.1729 8.1370 8.1370 8.8118 8.8118 12.8767 12.8767 13.3018 13.3018 17.2784 17.2784 k = 0.2848 0.4934 0.7342 ( 956 PWs) bands (ev): -26.4876 -26.4876 -11.8204 -11.8204 -8.8708 -8.8708 -8.1701 -8.1701 8.1117 8.1117 8.8722 8.8722 12.8469 12.8469 13.2762 13.2762 17.3502 17.3502 k = 0.2788 0.4829 0.7342 ( 960 PWs) bands (ev): -26.4880 -26.4880 -11.8212 -11.8212 -8.8691 -8.8691 -8.1669 -8.1669 8.0902 8.0902 8.9332 8.9332 12.8204 12.8204 13.2409 13.2409 17.4136 17.4136 k = 0.2727 0.4724 0.7342 ( 960 PWs) bands (ev): -26.4884 -26.4884 -11.8221 -11.8221 -8.8672 -8.8672 -8.1634 -8.1634 8.0725 8.0725 8.9949 8.9949 12.7972 12.7972 13.1968 13.1968 17.4521 17.4521 k = 0.2667 0.4619 0.7342 ( 964 PWs) bands (ev): -26.4889 -26.4889 -11.8231 -11.8231 -8.8650 -8.8650 -8.1596 -8.1596 8.0588 8.0588 9.0571 9.0571 12.7772 12.7772 13.1448 13.1448 17.3592 17.3592 k = 0.2606 0.4514 0.7342 ( 968 PWs) bands (ev): -26.4894 -26.4894 -11.8242 -11.8242 -8.8624 -8.8624 -8.1554 -8.1554 8.0489 8.0489 9.1197 9.1197 12.7606 12.7606 13.0857 13.0857 17.2142 17.2142 k = 0.2545 0.4409 0.7342 ( 968 PWs) bands (ev): -26.4900 -26.4900 -11.8254 -11.8254 -8.8596 -8.8596 -8.1510 -8.1510 8.0430 8.0430 9.1826 9.1826 12.7472 12.7472 13.0204 13.0204 17.0682 17.0682 k = 0.2485 0.4304 0.7342 ( 968 PWs) bands (ev): -26.4907 -26.4907 -11.8267 -11.8267 -8.8564 -8.8564 -8.1462 -8.1462 8.0410 8.0410 9.2456 9.2456 12.7371 12.7371 12.9496 12.9496 16.9224 16.9224 k = 0.2424 0.4199 0.7342 ( 968 PWs) bands (ev): -26.4913 -26.4913 -11.8281 -11.8281 -8.8529 -8.8529 -8.1412 -8.1412 8.0430 8.0430 9.3087 9.3087 12.7301 12.7301 12.8742 12.8742 16.7769 16.7769 k = 0.2364 0.4094 0.7342 ( 968 PWs) bands (ev): -26.4921 -26.4921 -11.8296 -11.8296 -8.8490 -8.8490 -8.1360 -8.1360 8.0489 8.0489 9.3718 9.3718 12.7261 12.7261 12.7949 12.7949 16.6319 16.6319 k = 0.2303 0.3989 0.7342 ( 968 PWs) bands (ev): -26.4928 -26.4928 -11.8312 -11.8312 -8.8448 -8.8448 -8.1305 -8.1305 8.0588 8.0588 9.4347 9.4347 12.7080 12.7080 12.7294 12.7294 16.4873 16.4873 k = 0.2242 0.3884 0.7342 ( 968 PWs) bands (ev): -26.4937 -26.4937 -11.8329 -11.8329 -8.8403 -8.8403 -8.1247 -8.1247 8.0726 8.0726 9.4972 9.4972 12.6242 12.6242 12.7297 12.7297 16.3431 16.3431 k = 0.2182 0.3779 0.7342 ( 968 PWs) bands (ev): -26.4945 -26.4945 -11.8347 -11.8347 -8.8354 -8.8354 -8.1188 -8.1188 8.0904 8.0904 9.5593 9.5593 12.5358 12.5358 12.7353 12.7353 16.1993 16.1993 k = 0.2121 0.3674 0.7342 ( 964 PWs) bands (ev): -26.4954 -26.4954 -11.8366 -11.8366 -8.8302 -8.8302 -8.1127 -8.1127 8.1121 8.1121 9.6208 9.6208 12.4451 12.4451 12.7441 12.7441 16.0558 16.0558 k = 0.2061 0.3569 0.7342 ( 964 PWs) bands (ev): -26.4964 -26.4964 -11.8385 -11.8385 -8.8248 -8.8248 -8.1064 -8.1064 8.1378 8.1378 9.6816 9.6816 12.3528 12.3528 12.7559 12.7559 15.9127 15.9127 k = 0.2000 0.3464 0.7342 ( 968 PWs) bands (ev): -26.4973 -26.4973 -11.8405 -11.8405 -8.8191 -8.8191 -8.0999 -8.0999 8.1673 8.1673 9.7416 9.7416 12.2591 12.2591 12.7706 12.7706 15.7699 15.7699 k = 0.1939 0.3359 0.7342 ( 964 PWs) bands (ev): -26.4983 -26.4983 -11.8426 -11.8426 -8.8131 -8.8131 -8.0933 -8.0933 8.2008 8.2008 9.8006 9.8006 12.1644 12.1644 12.7883 12.7883 15.6273 15.6273 k = 0.1879 0.3254 0.7342 ( 968 PWs) bands (ev): -26.4994 -26.4994 -11.8448 -11.8448 -8.8068 -8.8068 -8.0865 -8.0865 8.2381 8.2381 9.8585 9.8585 12.0690 12.0690 12.8087 12.8087 15.4849 15.4849 k = 0.1818 0.3149 0.7342 ( 964 PWs) bands (ev): -26.5004 -26.5004 -11.8469 -11.8469 -8.8004 -8.8004 -8.0796 -8.0796 8.2792 8.2792 9.9152 9.9152 11.9734 11.9734 12.8318 12.8318 15.3426 15.3426 k = 0.1758 0.3044 0.7342 ( 964 PWs) bands (ev): -26.5015 -26.5015 -11.8492 -11.8492 -8.7938 -8.7938 -8.0727 -8.0727 8.3241 8.3241 9.9706 9.9706 11.8776 11.8776 12.8575 12.8575 15.2005 15.2005 k = 0.1697 0.2939 0.7342 ( 968 PWs) bands (ev): -26.5026 -26.5026 -11.8515 -11.8515 -8.7870 -8.7870 -8.0656 -8.0656 8.3728 8.3728 10.0245 10.0245 11.7821 11.7821 12.8857 12.8857 15.0583 15.0583 k = 0.1636 0.2834 0.7342 ( 964 PWs) bands (ev): -26.5037 -26.5037 -11.8538 -11.8538 -8.7801 -8.7801 -8.0585 -8.0585 8.4253 8.4253 10.0769 10.0769 11.6871 11.6871 12.9162 12.9162 14.9162 14.9162 k = 0.1576 0.2729 0.7342 ( 964 PWs) bands (ev): -26.5048 -26.5048 -11.8561 -11.8561 -8.7731 -8.7731 -8.0513 -8.0513 8.4814 8.4814 10.1276 10.1276 11.5928 11.5928 12.9490 12.9490 14.7740 14.7740 k = 0.1515 0.2624 0.7342 ( 966 PWs) bands (ev): -26.5060 -26.5060 -11.8584 -11.8584 -8.7660 -8.7660 -8.0441 -8.0441 8.5411 8.5411 10.1766 10.1766 11.4995 11.4995 12.9838 12.9838 14.6317 14.6317 k = 0.1455 0.2519 0.7342 ( 970 PWs) bands (ev): -26.5071 -26.5071 -11.8608 -11.8608 -8.7589 -8.7589 -8.0369 -8.0369 8.6045 8.6045 10.2238 10.2238 11.4076 11.4076 13.0206 13.0206 14.4894 14.4894 k = 0.1394 0.2414 0.7342 ( 970 PWs) bands (ev): -26.5082 -26.5082 -11.8631 -11.8631 -8.7518 -8.7518 -8.0297 -8.0297 8.6714 8.6714 10.2691 10.2691 11.3171 11.3171 13.0591 13.0591 14.3469 14.3469 k = 0.1333 0.2309 0.7342 ( 970 PWs) bands (ev): -26.5093 -26.5093 -11.8654 -11.8654 -8.7447 -8.7447 -8.0225 -8.0225 8.7417 8.7417 10.3125 10.3125 11.2285 11.2285 13.0992 13.0992 14.2044 14.2044 k = 0.1273 0.2204 0.7342 ( 966 PWs) bands (ev): -26.5104 -26.5104 -11.8677 -11.8677 -8.7377 -8.7377 -8.0154 -8.0154 8.8155 8.8155 10.3538 10.3538 11.1419 11.1419 13.1406 13.1406 14.0619 14.0619 k = 0.1212 0.2099 0.7342 ( 970 PWs) bands (ev): -26.5115 -26.5115 -11.8700 -11.8700 -8.7308 -8.7308 -8.0083 -8.0083 8.8927 8.8927 10.3932 10.3932 11.0575 11.0575 13.1832 13.1832 13.9193 13.9193 k = 0.1152 0.1994 0.7342 ( 974 PWs) bands (ev): -26.5126 -26.5126 -11.8722 -11.8722 -8.7240 -8.7240 -8.0014 -8.0014 8.9731 8.9731 10.4304 10.4304 10.9757 10.9757 13.2266 13.2266 13.7767 13.7767 k = 0.1091 0.1890 0.7342 ( 974 PWs) bands (ev): -26.5137 -26.5137 -11.8744 -11.8744 -8.7174 -8.7174 -7.9945 -7.9945 9.0567 9.0567 10.4656 10.4656 10.8966 10.8966 13.2704 13.2704 13.6344 13.6344 k = 0.1030 0.1785 0.7342 ( 974 PWs) bands (ev): -26.5147 -26.5147 -11.8765 -11.8765 -8.7110 -8.7110 -7.9879 -7.9879 9.1435 9.1435 10.4986 10.4986 10.8205 10.8205 13.3139 13.3139 13.4930 13.4930 k = 0.0970 0.1680 0.7342 ( 978 PWs) bands (ev): -26.5157 -26.5157 -11.8785 -11.8785 -8.7047 -8.7047 -7.9814 -7.9814 9.2333 9.2333 10.5295 10.5295 10.7476 10.7476 13.3337 13.3337 13.3756 13.3756 k = 0.0909 0.1575 0.7342 ( 978 PWs) bands (ev): -26.5166 -26.5166 -11.8805 -11.8805 -8.6988 -8.6988 -7.9751 -7.9751 9.3260 9.3260 10.5579 10.5579 10.6785 10.6785 13.2041 13.2041 13.4075 13.4075 k = 0.0848 0.1470 0.7342 ( 982 PWs) bands (ev): -26.5175 -26.5175 -11.8824 -11.8824 -8.6931 -8.6931 -7.9691 -7.9691 9.4215 9.4215 10.5810 10.5810 10.6161 10.6161 13.0632 13.0632 13.4506 13.4506 k = 0.0788 0.1365 0.7342 ( 982 PWs) bands (ev): -26.5184 -26.5184 -11.8842 -11.8842 -8.6877 -8.6877 -7.9633 -7.9633 9.5197 9.5197 10.5462 10.5462 10.6133 10.6133 12.9221 12.9221 13.4934 13.4934 k = 0.0727 0.1260 0.7342 ( 974 PWs) bands (ev): -26.5192 -26.5192 -11.8859 -11.8859 -8.6826 -8.6826 -7.9578 -7.9578 9.6205 9.6205 10.4890 10.4890 10.6349 10.6349 12.7815 12.7815 13.5352 13.5352 k = 0.0667 0.1155 0.7342 ( 974 PWs) bands (ev): -26.5199 -26.5199 -11.8874 -11.8874 -8.6778 -8.6778 -7.9526 -7.9526 9.7236 9.7236 10.4349 10.4349 10.6554 10.6554 12.6416 12.6416 13.5754 13.5754 k = 0.0606 0.1050 0.7342 ( 974 PWs) bands (ev): -26.5206 -26.5206 -11.8889 -11.8889 -8.6734 -8.6734 -7.9478 -7.9478 9.8289 9.8289 10.3848 10.3848 10.6742 10.6742 12.5027 12.5027 13.6137 13.6137 k = 0.0545 0.0945 0.7342 ( 966 PWs) bands (ev): -26.5213 -26.5213 -11.8903 -11.8903 -8.6694 -8.6694 -7.9433 -7.9433 9.9361 9.9361 10.3390 10.3390 10.6911 10.6911 12.3650 12.3650 13.6496 13.6496 k = 0.0485 0.0840 0.7342 ( 966 PWs) bands (ev): -26.5219 -26.5219 -11.8915 -11.8915 -8.6658 -8.6658 -7.9392 -7.9392 10.0448 10.0448 10.2977 10.2977 10.7061 10.7061 12.2289 12.2289 13.6827 13.6827 k = 0.0424 0.0735 0.7342 ( 966 PWs) bands (ev): -26.5224 -26.5224 -11.8926 -11.8926 -8.6625 -8.6625 -7.9356 -7.9356 10.1544 10.1544 10.2611 10.2611 10.7193 10.7193 12.0950 12.0950 13.7124 13.7124 k = 0.0364 0.0630 0.7342 ( 970 PWs) bands (ev): -26.5229 -26.5229 -11.8935 -11.8935 -8.6597 -8.6597 -7.9324 -7.9324 10.2282 10.2282 10.2654 10.2654 10.7307 10.7307 11.9638 11.9638 13.7383 13.7383 k = 0.0303 0.0525 0.7342 ( 970 PWs) bands (ev): -26.5233 -26.5233 -11.8943 -11.8943 -8.6573 -8.6573 -7.9296 -7.9296 10.2014 10.2014 10.3743 10.3743 10.7404 10.7404 11.8366 11.8366 13.7598 13.7598 k = 0.0242 0.0420 0.7342 ( 974 PWs) bands (ev): -26.5236 -26.5236 -11.8950 -11.8950 -8.6553 -8.6553 -7.9274 -7.9274 10.1790 10.1790 10.4810 10.4810 10.7483 10.7483 11.7151 11.7151 13.7759 13.7759 k = 0.0182 0.0315 0.7342 ( 978 PWs) bands (ev): -26.5238 -26.5238 -11.8955 -11.8955 -8.6537 -8.6537 -7.9256 -7.9256 10.1615 10.1615 10.5816 10.5816 10.7547 10.7547 11.6027 11.6027 13.7863 13.7863 k = 0.0121 0.0210 0.7342 ( 982 PWs) bands (ev): -26.5240 -26.5240 -11.8959 -11.8959 -8.6526 -8.6526 -7.9243 -7.9243 10.1489 10.1489 10.6694 10.6694 10.7601 10.7601 11.5057 11.5057 13.7912 13.7912 k = 0.0061 0.0105 0.7342 ( 982 PWs) bands (ev): -26.5241 -26.5241 -11.8961 -11.8961 -8.6520 -8.6520 -7.9235 -7.9235 10.1414 10.1414 10.7302 10.7302 10.7672 10.7672 11.4357 11.4357 13.7927 13.7927 k = 0.0000 0.0000 0.7342 ( 982 PWs) bands (ev): -26.5242 -26.5242 -11.8962 -11.8962 -8.6517 -8.6517 -7.9233 -7.9233 10.1389 10.1389 10.7472 10.7472 10.7759 10.7759 11.4092 11.4092 13.7930 13.7930 k = 0.5000 0.2887 0.7342 ( 964 PWs) bands (ev): -26.4905 -26.4905 -11.8263 -11.8263 -8.8736 -8.8736 -8.1276 -8.1276 7.6534 7.6534 10.0871 10.0871 11.5827 11.5827 14.7735 14.7735 15.2714 15.2714 k = 0.5000 0.2887 0.7222 ( 964 PWs) bands (ev): -26.4912 -26.4912 -11.8238 -11.8238 -8.8741 -8.8741 -8.1282 -8.1282 7.6556 7.6556 10.0900 10.0900 11.5757 11.5757 14.7816 14.7816 15.2695 15.2695 k = 0.5000 0.2887 0.7102 ( 966 PWs) bands (ev): -26.4934 -26.4934 -11.8163 -11.8163 -8.8757 -8.8757 -8.1301 -8.1301 7.6623 7.6623 10.0988 10.0988 11.5549 11.5549 14.8056 14.8056 15.2638 15.2638 k = 0.5000 0.2887 0.6981 ( 966 PWs) bands (ev): -26.4971 -26.4971 -11.8037 -11.8037 -8.8783 -8.8783 -8.1333 -8.1333 7.6734 7.6734 10.1134 10.1134 11.5210 11.5210 14.8446 14.8446 15.2546 15.2546 k = 0.5000 0.2887 0.6861 ( 964 PWs) bands (ev): -26.5023 -26.5023 -11.7861 -11.7861 -8.8818 -8.8818 -8.1377 -8.1377 7.6889 7.6889 10.1338 10.1338 11.4750 11.4750 14.8971 14.8971 15.2425 15.2425 k = 0.5000 0.2887 0.6740 ( 964 PWs) bands (ev): -26.5088 -26.5088 -11.7636 -11.7636 -8.8864 -8.8864 -8.1434 -8.1434 7.7088 7.7088 10.1600 10.1600 11.4182 11.4182 14.9605 14.9605 15.2287 15.2287 k = 0.5000 0.2887 0.6620 ( 964 PWs) bands (ev): -26.5168 -26.5168 -11.7362 -11.7362 -8.8919 -8.8919 -8.1502 -8.1502 7.7329 7.7329 10.1920 10.1920 11.3521 11.3521 15.0300 15.0300 15.2169 15.2169 k = 0.5000 0.2887 0.6500 ( 966 PWs) bands (ev): -26.5262 -26.5262 -11.7040 -11.7040 -8.8984 -8.8984 -8.1582 -8.1582 7.7612 7.7612 10.2297 10.2297 11.2779 11.2779 15.0900 15.0900 15.2211 15.2211 k = 0.5000 0.2887 0.6379 ( 964 PWs) bands (ev): -26.5369 -26.5369 -11.6670 -11.6670 -8.9057 -8.9057 -8.1674 -8.1674 7.7935 7.7935 10.2731 10.2731 11.1971 11.1971 15.1085 15.1085 15.2721 15.2721 k = 0.5000 0.2887 0.6259 ( 960 PWs) bands (ev): -26.5489 -26.5489 -11.6253 -11.6253 -8.9139 -8.9139 -8.1777 -8.1777 7.8298 7.8298 10.3221 10.3221 11.1108 11.1108 15.0945 15.0945 15.3596 15.3596 k = 0.5000 0.2887 0.6139 ( 960 PWs) bands (ev): -26.5621 -26.5621 -11.5791 -11.5791 -8.9228 -8.9228 -8.1891 -8.1891 7.8700 7.8700 10.3767 10.3767 11.0203 11.0203 15.0698 15.0698 15.4604 15.4604 k = 0.5000 0.2887 0.6018 ( 960 PWs) bands (ev): -26.5766 -26.5766 -11.5284 -11.5284 -8.9324 -8.9324 -8.2015 -8.2015 7.9138 7.9138 10.4368 10.4368 10.9263 10.9263 15.0410 15.0410 15.5668 15.5668 k = 0.5000 0.2887 0.5898 ( 966 PWs) bands (ev): -26.5922 -26.5922 -11.4735 -11.4735 -8.9426 -8.9426 -8.2150 -8.2150 7.9611 7.9611 10.5022 10.5022 10.8300 10.8300 15.0103 15.0103 15.6754 15.6754 k = 0.5000 0.2887 0.5778 ( 966 PWs) bands (ev): -26.6089 -26.6089 -11.4143 -11.4143 -8.9534 -8.9534 -8.2293 -8.2293 8.0117 8.0117 10.5723 10.5723 10.7326 10.7326 14.9786 14.9786 15.7837 15.7837 k = 0.5000 0.2887 0.5657 ( 966 PWs) bands (ev): -26.6266 -26.6266 -11.3512 -11.3512 -8.9646 -8.9646 -8.2446 -8.2446 8.0654 8.0654 10.6201 10.6201 10.6614 10.6614 14.9469 14.9469 15.8894 15.8894 k = 0.5000 0.2887 0.5537 ( 964 PWs) bands (ev): -26.6453 -26.6453 -11.2843 -11.2843 -8.9761 -8.9761 -8.2607 -8.2607 8.1220 8.1220 10.5286 10.5286 10.7342 10.7342 14.9156 14.9156 15.9902 15.9902 k = 0.5000 0.2887 0.5416 ( 964 PWs) bands (ev): -26.6649 -26.6649 -11.2137 -11.2137 -8.9878 -8.9878 -8.2775 -8.2775 8.1812 8.1812 10.4286 10.4286 10.8204 10.8204 14.8854 14.8854 16.0828 16.0828 k = 0.5000 0.2887 0.5296 ( 960 PWs) bands (ev): -26.6854 -26.6854 -11.1397 -11.1397 -8.9996 -8.9996 -8.2951 -8.2951 8.2428 8.2428 10.3281 10.3281 10.9122 10.9122 14.8568 14.8568 16.1427 16.1427 k = 0.5000 0.2887 0.5176 ( 964 PWs) bands (ev): -26.7066 -26.7066 -11.0627 -11.0627 -9.0112 -9.0112 -8.3133 -8.3133 8.3066 8.3066 10.2279 10.2279 11.0091 11.0091 14.8302 14.8302 16.1124 16.1124 k = 0.5000 0.2887 0.5055 ( 964 PWs) bands (ev): -26.7285 -26.7285 -10.9827 -10.9827 -9.0226 -9.0226 -8.3322 -8.3322 8.3721 8.3721 10.1284 10.1284 11.1110 11.1110 14.8061 14.8061 16.0717 16.0717 k = 0.5000 0.2887 0.4935 ( 956 PWs) bands (ev): -26.7511 -26.7511 -10.9003 -10.9003 -9.0334 -9.0334 -8.3515 -8.3515 8.4392 8.4392 10.0297 10.0297 11.2178 11.2178 14.7851 14.7851 16.0294 16.0294 k = 0.5000 0.2887 0.4815 ( 952 PWs) bands (ev): -26.7742 -26.7742 -10.8158 -10.8158 -9.0434 -9.0434 -8.3713 -8.3713 8.5075 8.5075 9.9322 9.9322 11.3292 11.3292 14.7674 14.7674 15.9862 15.9862 k = 0.5000 0.2887 0.4694 ( 956 PWs) bands (ev): -26.7978 -26.7978 -10.7296 -10.7296 -9.0523 -9.0523 -8.3915 -8.3915 8.5766 8.5766 9.8359 9.8359 11.4453 11.4453 14.7537 14.7537 15.9422 15.9422 k = 0.5000 0.2887 0.4574 ( 956 PWs) bands (ev): -26.8218 -26.8218 -10.6422 -10.6422 -9.0597 -9.0597 -8.4120 -8.4120 8.6463 8.6463 9.7411 9.7411 11.5658 11.5658 14.7443 14.7443 15.8977 15.8977 k = 0.5000 0.2887 0.4454 ( 956 PWs) bands (ev): -26.8462 -26.8462 -10.5543 -10.5543 -9.0651 -9.0651 -8.4327 -8.4327 8.7160 8.7160 9.6478 9.6478 11.6907 11.6907 14.7395 14.7395 15.8530 15.8530 k = 0.5000 0.2887 0.4333 ( 956 PWs) bands (ev): -26.8708 -26.8708 -10.4666 -10.4666 -9.0679 -9.0679 -8.4535 -8.4535 8.7856 8.7856 9.5563 9.5563 11.8198 11.8198 14.7398 14.7398 15.8079 15.8079 k = 0.5000 0.2887 0.4213 ( 956 PWs) bands (ev): -26.8956 -26.8956 -10.3800 -10.3800 -9.0674 -9.0674 -8.4743 -8.4743 8.8546 8.8546 9.4665 9.4665 11.9529 11.9529 14.7453 14.7453 15.7621 15.7621 k = 0.5000 0.2887 0.4092 ( 956 PWs) bands (ev): -26.9206 -26.9206 -10.2956 -10.2956 -9.0628 -9.0628 -8.4951 -8.4951 8.9227 8.9227 9.3787 9.3787 12.0900 12.0900 14.7562 14.7562 15.5955 15.5955 k = 0.5000 0.2887 0.3972 ( 956 PWs) bands (ev): -26.9456 -26.9456 -10.2145 -10.2145 -9.0530 -9.0530 -8.5156 -8.5156 8.9894 8.9894 9.2929 9.2929 12.2309 12.2309 14.7720 14.7720 15.3861 15.3861 k = 0.5000 0.2887 0.3852 ( 956 PWs) bands (ev): -26.9706 -26.9706 -10.1382 -10.1382 -9.0371 -9.0371 -8.5357 -8.5357 9.0542 9.0542 9.2094 9.2094 12.3754 12.3754 14.7905 14.7905 15.1699 15.1699 k = 0.5000 0.2887 0.3731 ( 964 PWs) bands (ev): -26.9956 -26.9956 -10.0681 -10.0681 -9.0140 -9.0140 -8.5551 -8.5551 9.1104 9.1104 9.1347 9.1347 12.5232 12.5232 14.7916 14.7916 14.9697 14.9697 k = 0.5000 0.2887 0.3611 ( 968 PWs) bands (ev): -27.0204 -27.0204 -10.0056 -10.0056 -8.9828 -8.9828 -8.5733 -8.5733 9.0462 9.0462 9.1803 9.1803 12.6744 12.6744 14.6563 14.6563 14.9074 14.9074 k = 0.5000 0.2887 0.3491 ( 968 PWs) bands (ev): -27.0450 -27.0450 -9.9516 -9.9516 -8.9436 -8.9436 -8.5895 -8.5895 8.9692 8.9692 9.2384 9.2384 12.8286 12.8286 14.4312 14.4312 14.9386 14.9386 k = 0.5000 0.2887 0.3370 ( 964 PWs) bands (ev): -27.0693 -27.0693 -9.9068 -9.9068 -8.8975 -8.8975 -8.6022 -8.6022 8.8941 8.8941 9.2940 9.2940 12.9856 12.9856 14.1933 14.1933 14.9879 14.9879 k = 0.5000 0.2887 0.3250 ( 964 PWs) bands (ev): -27.0933 -27.0933 -9.8711 -9.8711 -8.8483 -8.8483 -8.6078 -8.6078 8.8212 8.8212 9.3468 9.3468 13.1451 13.1451 13.9522 13.9522 15.0472 15.0472 k = 0.5000 0.2887 0.3129 ( 968 PWs) bands (ev): -27.1169 -27.1169 -9.8438 -9.8438 -8.8044 -8.8044 -8.5985 -8.5985 8.7506 8.7506 9.3966 9.3966 13.3065 13.3065 13.7112 13.7112 15.1147 15.1147 k = 0.5000 0.2887 0.3009 ( 960 PWs) bands (ev): -27.1401 -27.1401 -9.8241 -9.8241 -8.7776 -8.7776 -8.5639 -8.5639 8.6822 8.6822 9.4432 9.4432 13.4458 13.4458 13.4954 13.4954 15.1896 15.1896 k = 0.5000 0.2887 0.2889 ( 956 PWs) bands (ev): -27.1629 -27.1629 -9.8106 -9.8106 -8.7706 -8.7706 -8.5027 -8.5027 8.6163 8.6163 9.4866 9.4866 13.2290 13.2290 13.6400 13.6400 15.2659 15.2659 k = 0.5000 0.2887 0.2768 ( 956 PWs) bands (ev): -27.1850 -27.1850 -9.8024 -9.8024 -8.7758 -8.7758 -8.4239 -8.4239 8.5527 8.5527 9.5267 9.5267 12.9944 12.9944 13.8070 13.8070 15.2565 15.2565 k = 0.5000 0.2887 0.2648 ( 960 PWs) bands (ev): -27.2066 -27.2066 -9.7983 -9.7983 -8.7866 -8.7866 -8.3352 -8.3352 8.4914 8.4914 9.5635 9.5635 12.7634 12.7634 13.9758 13.9758 15.2216 15.2216 k = 0.5000 0.2887 0.2528 ( 960 PWs) bands (ev): -27.2276 -27.2276 -9.7974 -9.7974 -8.8000 -8.8000 -8.2409 -8.2409 8.4326 8.4326 9.5972 9.5972 12.5371 12.5371 14.1456 14.1456 15.1871 15.1871 k = 0.5000 0.2887 0.2407 ( 962 PWs) bands (ev): -27.2479 -27.2479 -9.7990 -9.7990 -8.8145 -8.8145 -8.1434 -8.1434 8.3762 8.3762 9.6278 9.6278 12.3162 12.3162 14.3160 14.3160 15.1536 15.1536 k = 0.5000 0.2887 0.2287 ( 962 PWs) bands (ev): -27.2674 -27.2674 -9.8025 -9.8025 -8.8294 -8.8294 -8.0446 -8.0446 8.3223 8.3223 9.6554 9.6554 12.1014 12.1014 14.4865 14.4865 15.1214 15.1214 k = 0.5000 0.2887 0.2167 ( 962 PWs) bands (ev): -27.2862 -27.2862 -9.8073 -9.8073 -8.8443 -8.8443 -7.9454 -7.9454 8.2707 8.2707 9.6802 9.6802 11.8934 11.8934 14.6566 14.6566 15.0906 15.0906 k = 0.5000 0.2887 0.2046 ( 958 PWs) bands (ev): -27.3042 -27.3042 -9.8132 -9.8132 -8.8589 -8.8589 -7.8469 -7.8469 8.2217 8.2217 9.7024 9.7024 11.6929 11.6929 14.8256 14.8256 15.0616 15.0616 k = 0.5000 0.2887 0.1926 ( 960 PWs) bands (ev): -27.3213 -27.3213 -9.8197 -9.8197 -8.8730 -8.8730 -7.7499 -7.7499 8.1751 8.1751 9.7220 9.7220 11.5002 11.5002 14.9894 14.9894 15.0378 15.0378 k = 0.5000 0.2887 0.1805 ( 960 PWs) bands (ev): -27.3376 -27.3376 -9.8267 -9.8267 -8.8867 -8.8867 -7.6552 -7.6552 8.1310 8.1310 9.7394 9.7394 11.3161 11.3161 15.0046 15.0046 15.1622 15.1622 k = 0.5000 0.2887 0.1685 ( 964 PWs) bands (ev): -27.3530 -27.3530 -9.8339 -9.8339 -8.8996 -8.8996 -7.5633 -7.5633 8.0895 8.0895 9.7546 9.7546 11.1411 11.1411 14.9803 14.9803 15.3248 15.3248 k = 0.5000 0.2887 0.1565 ( 964 PWs) bands (ev): -27.3674 -27.3674 -9.8411 -9.8411 -8.9119 -8.9119 -7.4749 -7.4749 8.0505 8.0505 9.7678 9.7678 10.9757 10.9757 14.9572 14.9572 15.4846 15.4846 k = 0.5000 0.2887 0.1444 ( 964 PWs) bands (ev): -27.3809 -27.3809 -9.8482 -9.8482 -8.9234 -8.9234 -7.3906 -7.3906 8.0140 8.0140 9.7793 9.7793 10.8204 10.8204 14.9355 14.9355 15.6402 15.6402 k = 0.5000 0.2887 0.1324 ( 960 PWs) bands (ev): -27.3934 -27.3934 -9.8550 -9.8550 -8.9342 -8.9342 -7.3108 -7.3108 7.9801 7.9801 9.7893 9.7893 10.6757 10.6757 14.9154 14.9154 15.7895 15.7895 k = 0.5000 0.2887 0.1204 ( 960 PWs) bands (ev): -27.4049 -27.4049 -9.8616 -9.8616 -8.9441 -8.9441 -7.2361 -7.2361 7.9489 7.9489 9.7977 9.7977 10.5420 10.5420 14.8969 14.8969 15.8263 15.8263 k = 0.5000 0.2887 0.1083 ( 958 PWs) bands (ev): -27.4153 -27.4153 -9.8677 -9.8677 -8.9531 -8.9531 -7.1669 -7.1669 7.9204 7.9204 9.8049 9.8049 10.4197 10.4197 14.8801 14.8801 15.8073 15.8073 k = 0.5000 0.2887 0.0963 ( 958 PWs) bands (ev): -27.4248 -27.4248 -9.8734 -9.8734 -8.9613 -8.9613 -7.1037 -7.1037 7.8946 7.8946 9.8110 9.8110 10.3092 10.3092 14.8651 14.8651 15.7899 15.7899 k = 0.5000 0.2887 0.0843 ( 958 PWs) bands (ev): -27.4331 -27.4331 -9.8785 -9.8785 -8.9686 -8.9686 -7.0470 -7.0470 7.8717 7.8717 9.8161 9.8161 10.2109 10.2109 14.8517 14.8517 15.7744 15.7744 k = 0.5000 0.2887 0.0722 ( 958 PWs) bands (ev): -27.4404 -27.4404 -9.8830 -9.8830 -8.9749 -8.9749 -6.9970 -6.9970 7.8515 7.8515 9.8203 9.8203 10.1250 10.1250 14.8401 14.8401 15.7609 15.7609 k = 0.5000 0.2887 0.0602 ( 956 PWs) bands (ev): -27.4465 -27.4465 -9.8869 -9.8869 -8.9802 -8.9802 -6.9541 -6.9541 7.8344 7.8344 9.8238 9.8238 10.0519 10.0519 14.8303 14.8303 15.7494 15.7494 k = 0.5000 0.2887 0.0481 ( 960 PWs) bands (ev): -27.4516 -27.4516 -9.8901 -9.8901 -8.9847 -8.9847 -6.9185 -6.9185 7.8202 7.8202 9.8266 9.8266 9.9916 9.9916 14.8222 14.8222 15.7400 15.7400 k = 0.5000 0.2887 0.0361 ( 960 PWs) bands (ev): -27.4555 -27.4555 -9.8927 -9.8927 -8.9881 -8.9881 -6.8907 -6.8907 7.8091 7.8091 9.8289 9.8289 9.9444 9.9444 14.8159 14.8159 15.7326 15.7326 k = 0.5000 0.2887 0.0241 ( 960 PWs) bands (ev): -27.4583 -27.4583 -9.8945 -9.8945 -8.9906 -8.9906 -6.8706 -6.8706 7.8012 7.8012 9.8307 9.8307 9.9103 9.9103 14.8114 14.8114 15.7274 15.7274 k = 0.5000 0.2887 0.0120 ( 956 PWs) bands (ev): -27.4600 -27.4600 -9.8956 -9.8956 -8.9921 -8.9921 -6.8585 -6.8585 7.7964 7.7964 9.8321 9.8321 9.8895 9.8895 14.8087 14.8087 15.7242 15.7242 k = 0.5000 0.2887-0.0000 ( 956 PWs) bands (ev): -27.4606 -27.4606 -9.8960 -9.8960 -8.9926 -8.9926 -6.8545 -6.8545 7.7948 7.7948 9.8327 9.8327 9.8825 9.8825 14.8078 14.8078 15.7232 15.7232 k = 0.3333 0.5774-0.0000 ( 957 PWs) bands (ev): -27.4554 -27.4554 -9.8943 -9.8943 -9.0733 -9.0733 -6.8548 -6.8548 9.1160 9.1160 9.2147 9.2147 9.8434 9.8434 13.4199 13.4199 16.5026 16.5026 k = 0.3333 0.5774 0.0120 ( 951 PWs) bands (ev): -27.4549 -27.4549 -9.8939 -9.8939 -9.0727 -9.0727 -6.8589 -6.8589 9.1166 9.1166 9.2154 9.2154 9.8504 9.8504 13.4212 13.4212 16.4939 16.4939 k = 0.3333 0.5774 0.0241 ( 951 PWs) bands (ev): -27.4532 -27.4532 -9.8929 -9.8929 -9.0711 -9.0711 -6.8709 -6.8709 9.1185 9.1185 9.2174 9.2174 9.8716 9.8716 13.4251 13.4251 16.4682 16.4682 k = 0.3333 0.5774 0.0361 ( 954 PWs) bands (ev): -27.4504 -27.4504 -9.8911 -9.8911 -9.0685 -9.0685 -6.8910 -6.8910 9.1217 9.1217 9.2208 9.2208 9.9067 9.9067 13.4316 13.4316 16.4259 16.4259 k = 0.3333 0.5774 0.0481 ( 954 PWs) bands (ev): -27.4464 -27.4464 -9.8887 -9.8887 -9.0648 -9.0648 -6.9189 -6.9189 9.1262 9.1262 9.2255 9.2255 9.9558 9.9558 13.4408 13.4408 16.3680 16.3680 k = 0.3333 0.5774 0.0602 ( 954 PWs) bands (ev): -27.4414 -27.4414 -9.8855 -9.8855 -9.0601 -9.0601 -6.9544 -6.9544 9.1320 9.1320 9.2316 9.2316 10.0184 10.0184 13.4526 13.4526 16.2959 16.2959 k = 0.3333 0.5774 0.0722 ( 954 PWs) bands (ev): -27.4352 -27.4352 -9.8818 -9.8818 -9.0543 -9.0543 -6.9973 -6.9973 9.1390 9.1390 9.2389 9.2389 10.0945 10.0945 13.4670 13.4670 16.2106 16.2106 k = 0.3333 0.5774 0.0843 ( 957 PWs) bands (ev): -27.4279 -27.4279 -9.8774 -9.8774 -9.0476 -9.0476 -7.0473 -7.0473 9.1472 9.1472 9.2474 9.2474 10.1837 10.1837 13.4840 13.4840 16.1137 16.1137 k = 0.3333 0.5774 0.0963 ( 957 PWs) bands (ev): -27.4196 -27.4196 -9.8725 -9.8725 -9.0398 -9.0398 -7.1041 -7.1041 9.1565 9.1565 9.2571 9.2571 10.2856 10.2856 13.5036 13.5036 16.0066 16.0066 k = 0.3333 0.5774 0.1083 ( 957 PWs) bands (ev): -27.4102 -27.4102 -9.8671 -9.8671 -9.0310 -9.0310 -7.1673 -7.1673 9.1669 9.1669 9.2679 9.2679 10.4000 10.4000 13.5258 13.5258 15.8906 15.8906 k = 0.3333 0.5774 0.1204 ( 957 PWs) bands (ev): -27.3998 -27.3998 -9.8611 -9.8611 -9.0212 -9.0212 -7.2365 -7.2365 9.1784 9.1784 9.2797 9.2797 10.5265 10.5265 13.5506 13.5506 15.7670 15.7670 k = 0.3333 0.5774 0.1324 ( 957 PWs) bands (ev): -27.3883 -27.3883 -9.8549 -9.8549 -9.0105 -9.0105 -7.3114 -7.3114 9.1907 9.1907 9.2924 9.2924 10.6646 10.6646 13.5779 13.5779 15.6372 15.6372 k = 0.3333 0.5774 0.1444 ( 963 PWs) bands (ev): -27.3758 -27.3758 -9.8483 -9.8483 -8.9989 -8.9989 -7.3913 -7.3913 9.2039 9.2039 9.3059 9.3059 10.8138 10.8138 13.6079 13.6079 15.5021 15.5021 k = 0.3333 0.5774 0.1565 ( 963 PWs) bands (ev): -27.3623 -27.3623 -9.8415 -9.8415 -8.9863 -8.9863 -7.4759 -7.4759 9.2178 9.2178 9.3202 9.3202 10.9738 10.9738 13.6404 13.6404 15.3630 15.3630 k = 0.3333 0.5774 0.1685 ( 960 PWs) bands (ev): -27.3479 -27.3479 -9.8346 -9.8346 -8.9729 -8.9729 -7.5646 -7.5646 9.2323 9.2323 9.3350 9.3350 11.1440 11.1440 13.6755 13.6755 15.2210 15.2210 k = 0.3333 0.5774 0.1805 ( 960 PWs) bands (ev): -27.3325 -27.3325 -9.8277 -9.8277 -8.9585 -8.9585 -7.6569 -7.6569 9.2472 9.2472 9.3503 9.3503 11.3240 11.3240 13.7131 13.7131 15.0768 15.1024 k = 0.3333 0.5774 0.1926 ( 960 PWs) bands (ev): -27.3163 -27.3163 -9.8211 -9.8211 -8.9434 -8.9434 -7.7523 -7.7523 9.2625 9.2625 9.3658 9.3658 11.5134 11.5134 13.7532 13.7532 14.9316 14.9316 k = 0.3333 0.5774 0.2046 ( 960 PWs) bands (ev): -27.2991 -27.2991 -9.8150 -9.8150 -8.9275 -8.9275 -7.8500 -7.8500 9.2778 9.2778 9.3814 9.3814 11.7115 11.7115 13.7959 13.7959 14.7861 14.7861 k = 0.3333 0.5774 0.2167 ( 960 PWs) bands (ev): -27.2812 -27.2812 -9.8095 -9.8095 -8.9107 -8.9107 -7.9496 -7.9496 9.2930 9.2930 9.3969 9.3969 11.9180 11.9180 13.8410 13.8410 14.6411 14.6411 k = 0.3333 0.5774 0.2287 ( 960 PWs) bands (ev): -27.2624 -27.2624 -9.8050 -9.8050 -8.8933 -8.8933 -8.0503 -8.0503 9.3079 9.3079 9.4120 9.4120 12.1322 12.1322 13.8886 13.8886 14.4976 14.4976 k = 0.3333 0.5774 0.2407 ( 960 PWs) bands (ev): -27.2429 -27.2429 -9.8020 -9.8020 -8.8751 -8.8751 -8.1514 -8.1514 9.3222 9.3222 9.4265 9.4265 12.3537 12.3537 13.9385 13.9385 14.3562 14.3562 k = 0.3333 0.5774 0.2528 ( 954 PWs) bands (ev): -27.2226 -27.2226 -9.8008 -9.8008 -8.8563 -8.8563 -8.2520 -8.2520 9.3357 9.3357 9.4401 9.4401 12.5819 12.5819 13.9903 13.9903 14.2181 14.2181 k = 0.3333 0.5774 0.2648 ( 969 PWs) bands (ev): -27.2017 -27.2017 -9.8020 -9.8020 -8.8369 -8.8369 -8.3513 -8.3513 9.3482 9.3482 9.4526 9.4526 12.8163 12.8163 14.0366 14.0366 14.0878 14.0878 k = 0.3333 0.5774 0.2768 ( 969 PWs) bands (ev): -27.1801 -27.1801 -9.8064 -9.8064 -8.8169 -8.8169 -8.4482 -8.4482 9.3592 9.3592 9.4635 9.4635 13.0564 13.0564 13.9458 13.9458 13.9537 13.9537 k = 0.3333 0.5774 0.2889 ( 969 PWs) bands (ev): -27.1580 -27.1580 -9.8149 -9.8149 -8.7964 -8.7964 -8.5415 -8.5415 9.3686 9.3686 9.4727 9.4727 13.3014 13.3014 13.8207 13.8207 13.8243 13.8243 k = 0.3333 0.5774 0.3009 ( 969 PWs) bands (ev): -27.1353 -27.1353 -9.8284 -9.8284 -8.7754 -8.7754 -8.6299 -8.6299 9.3759 9.3759 9.4796 9.4796 13.5498 13.5498 13.7004 13.7004 13.7006 13.7006 k = 0.3333 0.5774 0.3129 ( 969 PWs) bands (ev): -27.1121 -27.1121 -9.8480 -9.8480 -8.7539 -8.7539 -8.7120 -8.7120 9.3809 9.3809 9.4840 9.4840 13.5825 13.5825 13.5826 13.5826 13.8055 13.8055 k = 0.3333 0.5774 0.3250 ( 969 PWs) bands (ev): -27.0885 -27.0885 -9.8750 -9.8750 -8.7865 -8.7865 -8.7321 -8.7321 9.3832 9.3832 9.4855 9.4855 13.4714 13.4714 13.4739 13.4739 14.0600 14.0600 k = 0.3333 0.5774 0.3370 ( 969 PWs) bands (ev): -27.0645 -27.0645 -9.9101 -9.9101 -8.8522 -8.8522 -8.7099 -8.7099 9.3825 9.3825 9.4838 9.4838 13.3673 13.3673 13.3717 13.3717 14.3100 14.3100 k = 0.3333 0.5774 0.3491 ( 969 PWs) bands (ev): -27.0402 -27.0402 -9.9542 -9.9542 -8.9081 -8.9081 -8.6875 -8.6875 9.3785 9.3785 9.4785 9.4785 13.2710 13.2710 13.2768 13.2768 14.4795 14.4795 k = 0.3333 0.5774 0.3611 ( 969 PWs) bands (ev): -27.0156 -27.0156 -10.0072 -10.0072 -8.9539 -8.9539 -8.6648 -8.6648 9.3708 9.3708 9.4693 9.4693 13.1828 13.1828 13.1898 13.1898 14.5641 14.5641 k = 0.3333 0.5774 0.3731 ( 969 PWs) bands (ev): -26.9908 -26.9908 -10.0687 -10.0687 -8.9899 -8.9899 -8.6420 -8.6420 9.3594 9.3594 9.4560 9.4560 13.1031 13.1031 13.1109 13.1109 14.6423 14.6423 k = 0.3333 0.5774 0.3852 ( 975 PWs) bands (ev): -26.9659 -26.9659 -10.1377 -10.1377 -9.0169 -9.0169 -8.6191 -8.6191 9.3441 9.3441 9.4384 9.4384 13.0322 13.0322 13.0403 13.0403 14.7211 14.7211 k = 0.3333 0.5774 0.3972 ( 975 PWs) bands (ev): -26.9409 -26.9409 -10.2130 -10.2130 -9.0360 -9.0360 -8.5961 -8.5961 9.3246 9.3246 9.4164 9.4164 12.9703 12.9703 12.9785 12.9785 14.8014 14.8014 k = 0.3333 0.5774 0.4092 ( 969 PWs) bands (ev): -26.9159 -26.9159 -10.2931 -10.2931 -9.0483 -9.0483 -8.5732 -8.5732 9.3012 9.3012 9.3901 9.3901 12.9173 12.9173 12.9252 12.9252 14.8835 14.8835 k = 0.3333 0.5774 0.4213 ( 963 PWs) bands (ev): -26.8910 -26.8910 -10.3767 -10.3767 -9.0551 -9.0551 -8.5503 -8.5503 9.2738 9.2738 9.3596 9.3596 12.8734 12.8734 12.8807 12.8807 14.9672 14.9672 k = 0.3333 0.5774 0.4333 ( 963 PWs) bands (ev): -26.8662 -26.8662 -10.4625 -10.4625 -9.0574 -9.0574 -8.5276 -8.5276 9.2426 9.2426 9.3250 9.3250 12.8382 12.8382 12.8445 12.8445 15.0527 15.0527 k = 0.3333 0.5774 0.4454 ( 957 PWs) bands (ev): -26.8416 -26.8416 -10.5496 -10.5496 -9.0562 -9.0562 -8.5050 -8.5050 9.2079 9.2079 9.2867 9.2867 12.8114 12.8114 12.8167 12.8167 15.1399 15.1399 k = 0.3333 0.5774 0.4574 ( 963 PWs) bands (ev): -26.8172 -26.8172 -10.6370 -10.6370 -9.0522 -9.0522 -8.4828 -8.4828 9.1700 9.1700 9.2450 9.2450 12.7928 12.7928 12.7966 12.7966 15.2286 15.2286 k = 0.3333 0.5774 0.4694 ( 963 PWs) bands (ev): -26.7933 -26.7933 -10.7239 -10.7239 -9.0460 -9.0460 -8.4608 -8.4608 9.1293 9.1293 9.2004 9.2004 12.7817 12.7817 12.7840 12.7840 15.3188 15.3188 k = 0.3333 0.5774 0.4815 ( 963 PWs) bands (ev): -26.7697 -26.7697 -10.8097 -10.8097 -9.0382 -9.0382 -8.4393 -8.4393 9.0864 9.0864 9.1535 9.1535 12.7777 12.7777 12.7783 12.7783 15.4103 15.4103 k = 0.3333 0.5774 0.4935 ( 963 PWs) bands (ev): -26.7466 -26.7466 -10.8939 -10.8939 -9.0291 -9.0291 -8.4182 -8.4182 9.0415 9.0415 9.1047 9.1047 12.7790 12.7790 12.7801 12.7801 15.5030 15.5030 k = 0.3333 0.5774 0.5055 ( 963 PWs) bands (ev): -26.7241 -26.7241 -10.9760 -10.9760 -9.0191 -9.0191 -8.3977 -8.3977 8.9954 8.9954 9.0545 9.0545 12.7854 12.7854 12.7883 12.7883 15.5968 15.5968 k = 0.3333 0.5774 0.5176 ( 957 PWs) bands (ev): -26.7021 -26.7021 -11.0556 -11.0556 -9.0084 -9.0084 -8.3778 -8.3778 8.9484 8.9484 9.0037 9.0037 12.7969 12.7969 12.8016 12.8016 15.6913 15.6913 k = 0.3333 0.5774 0.5296 ( 957 PWs) bands (ev): -26.6809 -26.6809 -11.1325 -11.1325 -8.9974 -8.9974 -8.3585 -8.3585 8.9011 8.9011 8.9526 8.9526 12.8128 12.8128 12.8193 12.8193 15.7866 15.7866 k = 0.3333 0.5774 0.5416 ( 957 PWs) bands (ev): -26.6605 -26.6605 -11.2062 -11.2062 -8.9862 -8.9862 -8.3399 -8.3399 8.8540 8.8540 8.9018 8.9018 12.8325 12.8325 12.8408 12.8408 15.8821 15.8821 k = 0.3333 0.5774 0.5537 ( 960 PWs) bands (ev): -26.6409 -26.6409 -11.2766 -11.2766 -8.9750 -8.9750 -8.3221 -8.3221 8.8075 8.8075 8.8518 8.8518 12.8554 12.8554 12.8653 12.8653 15.9778 15.9778 k = 0.3333 0.5774 0.5657 ( 960 PWs) bands (ev): -26.6222 -26.6222 -11.3434 -11.3434 -8.9640 -8.9640 -8.3052 -8.3052 8.7620 8.7620 8.8030 8.8030 12.8807 12.8807 12.8922 12.8922 16.0732 16.0732 k = 0.3333 0.5774 0.5778 ( 957 PWs) bands (ev): -26.6045 -26.6045 -11.4064 -11.4064 -8.9532 -8.9532 -8.2891 -8.2891 8.7181 8.7181 8.7559 8.7559 12.9078 12.9078 12.9208 12.9208 16.1679 16.1679 k = 0.3333 0.5774 0.5898 ( 957 PWs) bands (ev): -26.5878 -26.5878 -11.4654 -11.4654 -8.9428 -8.9428 -8.2740 -8.2740 8.6760 8.6760 8.7109 8.7109 12.9361 12.9361 12.9504 12.9504 16.2615 16.2615 k = 0.3333 0.5774 0.6018 ( 957 PWs) bands (ev): -26.5722 -26.5722 -11.5202 -11.5202 -8.9330 -8.9330 -8.2599 -8.2599 8.6361 8.6361 8.6682 8.6682 12.9650 12.9650 12.9805 12.9805 16.3535 16.3535 k = 0.3333 0.5774 0.6139 ( 957 PWs) bands (ev): -26.5578 -26.5578 -11.5708 -11.5708 -8.9237 -8.9237 -8.2468 -8.2468 8.5987 8.5987 8.6283 8.6283 12.9937 12.9937 13.0105 13.0105 16.4431 16.4431 k = 0.3333 0.5774 0.6259 ( 954 PWs) bands (ev): -26.5446 -26.5446 -11.6169 -11.6169 -8.9150 -8.9150 -8.2349 -8.2349 8.5640 8.5640 8.5914 8.5914 13.0219 13.0219 13.0396 13.0396 16.5297 16.5297 k = 0.3333 0.5774 0.6379 ( 954 PWs) bands (ev): -26.5326 -26.5326 -11.6585 -11.6585 -8.9071 -8.9071 -8.2240 -8.2240 8.5324 8.5324 8.5577 8.5577 13.0488 13.0488 13.0675 13.0675 16.6123 16.6123 k = 0.3333 0.5774 0.6500 ( 948 PWs) bands (ev): -26.5219 -26.5219 -11.6954 -11.6954 -8.9000 -8.9000 -8.2144 -8.2144 8.5040 8.5040 8.5276 8.5276 13.0740 13.0740 13.0935 13.0935 16.6900 16.6900 k = 0.3333 0.5774 0.6620 ( 948 PWs) bands (ev): -26.5126 -26.5126 -11.7276 -11.7276 -8.8937 -8.8937 -8.2060 -8.2060 8.4791 8.4791 8.5010 8.5010 13.0969 13.0969 13.1171 13.1171 16.7615 16.7615 k = 0.3333 0.5774 0.6740 ( 948 PWs) bands (ev): -26.5046 -26.5046 -11.7549 -11.7549 -8.8883 -8.8883 -8.1988 -8.1988 8.4577 8.4577 8.4783 8.4783 13.1171 13.1171 13.1379 13.1379 16.8256 16.8256 k = 0.3333 0.5774 0.6861 ( 948 PWs) bands (ev): -26.4980 -26.4980 -11.7774 -11.7774 -8.8839 -8.8839 -8.1929 -8.1929 8.4400 8.4400 8.4595 8.4595 13.1342 13.1342 13.1555 13.1555 16.8809 16.8809 k = 0.3333 0.5774 0.6981 ( 948 PWs) bands (ev): -26.4929 -26.4929 -11.7950 -11.7950 -8.8804 -8.8804 -8.1882 -8.1882 8.4262 8.4262 8.4448 8.4448 13.1479 13.1479 13.1696 13.1696 16.9258 16.9258 k = 0.3333 0.5774 0.7102 ( 942 PWs) bands (ev): -26.4892 -26.4892 -11.8075 -11.8075 -8.8779 -8.8779 -8.1849 -8.1849 8.4162 8.4162 8.4343 8.4343 13.1579 13.1579 13.1799 13.1799 16.9591 16.9591 k = 0.3333 0.5774 0.7222 ( 942 PWs) bands (ev): -26.4870 -26.4870 -11.8151 -11.8151 -8.8764 -8.8764 -8.1829 -8.1829 8.4103 8.4103 8.4279 8.4279 13.1640 13.1640 13.1861 13.1861 16.9796 16.9796 k = 0.3333 0.5774 0.7342 ( 936 PWs) bands (ev): -26.4863 -26.4863 -11.8176 -11.8176 -8.8759 -8.8759 -8.1823 -8.1823 8.4083 8.4083 8.4258 8.4258 13.1661 13.1661 13.1882 13.1882 16.9866 16.9866 Writing output data file Sr.save init_run : 0.08s CPU 0.22s WALL ( 1 calls) electrons : 32.46s CPU 33.46s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.00s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 32.45s CPU 33.45s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.01s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.01s WALL ( 454 calls) cegterg : 29.66s CPU 30.34s WALL ( 518 calls) Called by sum_band: Called by *egterg: h_psi : 13.20s CPU 13.56s WALL ( 8604 calls) s_psi : 0.43s CPU 0.38s WALL ( 8604 calls) g_psi : 0.05s CPU 0.03s WALL ( 7632 calls) cdiaghg : 15.21s CPU 15.58s WALL ( 8086 calls) cegterg:over : 0.77s CPU 0.86s WALL ( 7632 calls) cegterg:upda : 0.67s CPU 0.67s WALL ( 7632 calls) cegterg:last : 0.36s CPU 0.34s WALL ( 1426 calls) cdiaghg:chol : 0.87s CPU 0.86s WALL ( 8086 calls) cdiaghg:inve : 0.18s CPU 0.19s WALL ( 8086 calls) cdiaghg:para : 1.12s CPU 1.16s WALL ( 16172 calls) Called by h_psi: h_psi:vloc : 12.20s CPU 12.57s WALL ( 8604 calls) h_psi:vnl : 0.99s CPU 0.96s WALL ( 8604 calls) add_vuspsi : 0.45s CPU 0.48s WALL ( 8604 calls) General routines calbec : 0.51s CPU 0.46s WALL ( 8604 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 11.62s CPU 11.93s WALL ( 326992 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.06s CPU 0.14s WALL ( 908 calls) Parallel routines fft_scatter : 6.32s CPU 6.54s WALL ( 327015 calls) PWSCF : 0m38.09s CPU 1m 0.97s WALL This run was terminated on: 21:17:22 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=