Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:13:15 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: ./SnSe2.save/ file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 24 19 5 962 637 101 Max 25 20 6 969 657 112 Sum 889 685 199 34763 23391 3825 bravais-lattice index = 14 lattice parameter (alat) = 7.2014 a.u. unit-cell volume = 521.1930 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 250.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.201368 celldm(2)= 1.000000 celldm(3)= 1.611473 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.611473 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.620550 ) PseudoPot. # 1 for Sn read from file: /users/gautes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Sn 14.00 118.71000 Sn( 1.00) Se 6.00 78.96000 Se( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 349 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028653 k( 2) = ( 0.0104167 0.0060141 -0.0000000), wk = 0.0028653 k( 3) = ( 0.0208333 0.0120281 -0.0000000), wk = 0.0028653 k( 4) = ( 0.0312500 0.0180422 -0.0000000), wk = 0.0028653 k( 5) = ( 0.0416667 0.0240563 -0.0000000), wk = 0.0028653 k( 6) = ( 0.0520833 0.0300703 -0.0000000), wk = 0.0028653 k( 7) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0028653 k( 8) = ( 0.0729167 0.0420985 -0.0000000), wk = 0.0028653 k( 9) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0028653 k( 10) = ( 0.0937500 0.0541266 -0.0000000), wk = 0.0028653 k( 11) = ( 0.1041667 0.0601407 -0.0000000), wk = 0.0028653 k( 12) = ( 0.1145833 0.0661547 -0.0000000), wk = 0.0028653 k( 13) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0028653 k( 14) = ( 0.1354167 0.0781829 -0.0000000), wk = 0.0028653 k( 15) = ( 0.1458333 0.0841969 -0.0000000), wk = 0.0028653 k( 16) = ( 0.1562500 0.0902110 -0.0000000), wk = 0.0028653 k( 17) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0028653 k( 18) = ( 0.1770833 0.1022391 -0.0000000), wk = 0.0028653 k( 19) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0028653 k( 20) = ( 0.1979167 0.1142672 -0.0000000), wk = 0.0028653 k( 21) = ( 0.2083333 0.1202813 -0.0000000), wk = 0.0028653 k( 22) = ( 0.2187500 0.1262954 -0.0000000), wk = 0.0028653 k( 23) = ( 0.2291667 0.1323094 -0.0000000), wk = 0.0028653 k( 24) = ( 0.2395833 0.1383235 -0.0000000), wk = 0.0028653 k( 25) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0028653 k( 26) = ( 0.2604167 0.1503516 -0.0000000), wk = 0.0028653 k( 27) = ( 0.2708333 0.1563657 -0.0000000), wk = 0.0028653 k( 28) = ( 0.2812500 0.1623798 -0.0000000), wk = 0.0028653 k( 29) = ( 0.2916667 0.1683938 -0.0000000), wk = 0.0028653 k( 30) = ( 0.3020833 0.1744079 -0.0000000), wk = 0.0028653 k( 31) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0028653 k( 32) = ( 0.3229167 0.1864360 -0.0000000), wk = 0.0028653 k( 33) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0028653 k( 34) = ( 0.3437500 0.1984642 -0.0000000), wk = 0.0028653 k( 35) = ( 0.3541667 0.2044782 -0.0000000), wk = 0.0028653 k( 36) = ( 0.3645833 0.2104923 -0.0000000), wk = 0.0028653 k( 37) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0028653 k( 38) = ( 0.3854167 0.2225204 -0.0000000), wk = 0.0028653 k( 39) = ( 0.3958333 0.2285345 -0.0000000), wk = 0.0028653 k( 40) = ( 0.4062500 0.2345485 -0.0000000), wk = 0.0028653 k( 41) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0028653 k( 42) = ( 0.4270833 0.2465767 -0.0000000), wk = 0.0028653 k( 43) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0028653 k( 44) = ( 0.4479167 0.2586048 -0.0000000), wk = 0.0028653 k( 45) = ( 0.4583333 0.2646189 -0.0000000), wk = 0.0028653 k( 46) = ( 0.4687500 0.2706329 -0.0000000), wk = 0.0028653 k( 47) = ( 0.4791667 0.2766470 -0.0000000), wk = 0.0028653 k( 48) = ( 0.4895833 0.2826611 -0.0000000), wk = 0.0028653 k( 49) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028653 k( 50) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028653 k( 51) = ( 0.4940476 0.2989850 -0.0000000), wk = 0.0028653 k( 52) = ( 0.4880952 0.3092948 -0.0000000), wk = 0.0028653 k( 53) = ( 0.4821429 0.3196046 -0.0000000), wk = 0.0028653 k( 54) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0028653 k( 55) = ( 0.4702381 0.3402243 -0.0000000), wk = 0.0028653 k( 56) = ( 0.4642857 0.3505341 -0.0000000), wk = 0.0028653 k( 57) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0028653 k( 58) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0028653 k( 59) = ( 0.4464286 0.3814636 -0.0000000), wk = 0.0028653 k( 60) = ( 0.4404762 0.3917734 -0.0000000), wk = 0.0028653 k( 61) = ( 0.4345238 0.4020832 -0.0000000), wk = 0.0028653 k( 62) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0028653 k( 63) = ( 0.4226190 0.4227029 -0.0000000), wk = 0.0028653 k( 64) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0028653 k( 65) = ( 0.4107143 0.4433225 -0.0000000), wk = 0.0028653 k( 66) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0028653 k( 67) = ( 0.3988095 0.4639422 -0.0000000), wk = 0.0028653 k( 68) = ( 0.3928571 0.4742520 -0.0000000), wk = 0.0028653 k( 69) = ( 0.3869048 0.4845618 -0.0000000), wk = 0.0028653 k( 70) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0028653 k( 71) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0028653 k( 72) = ( 0.3690476 0.5154913 -0.0000000), wk = 0.0028653 k( 73) = ( 0.3630952 0.5258011 -0.0000000), wk = 0.0028653 k( 74) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0028653 k( 75) = ( 0.3511905 0.5464208 -0.0000000), wk = 0.0028653 k( 76) = ( 0.3452381 0.5567306 -0.0000000), wk = 0.0028653 k( 77) = ( 0.3392857 0.5670404 -0.0000000), wk = 0.0028653 k( 78) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028653 k( 79) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028653 k( 80) = ( 0.3272727 0.5668530 -0.0000000), wk = 0.0028653 k( 81) = ( 0.3212121 0.5563557 -0.0000000), wk = 0.0028653 k( 82) = ( 0.3151515 0.5458584 -0.0000000), wk = 0.0028653 k( 83) = ( 0.3090909 0.5353612 -0.0000000), wk = 0.0028653 k( 84) = ( 0.3030303 0.5248639 -0.0000000), wk = 0.0028653 k( 85) = ( 0.2969697 0.5143666 -0.0000000), wk = 0.0028653 k( 86) = ( 0.2909091 0.5038693 -0.0000000), wk = 0.0028653 k( 87) = ( 0.2848485 0.4933720 -0.0000000), wk = 0.0028653 k( 88) = ( 0.2787879 0.4828748 -0.0000000), wk = 0.0028653 k( 89) = ( 0.2727273 0.4723775 -0.0000000), wk = 0.0028653 k( 90) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0028653 k( 91) = ( 0.2606061 0.4513829 -0.0000000), wk = 0.0028653 k( 92) = ( 0.2545455 0.4408857 -0.0000000), wk = 0.0028653 k( 93) = ( 0.2484849 0.4303884 -0.0000000), wk = 0.0028653 k( 94) = ( 0.2424242 0.4198911 -0.0000000), wk = 0.0028653 k( 95) = ( 0.2363636 0.4093938 -0.0000000), wk = 0.0028653 k( 96) = ( 0.2303030 0.3988965 -0.0000000), wk = 0.0028653 k( 97) = ( 0.2242424 0.3883993 -0.0000000), wk = 0.0028653 k( 98) = ( 0.2181818 0.3779020 -0.0000000), wk = 0.0028653 k( 99) = ( 0.2121212 0.3674047 -0.0000000), wk = 0.0028653 k( 100) = ( 0.2060606 0.3569074 -0.0000000), wk = 0.0028653 k( 101) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0028653 k( 102) = ( 0.1939394 0.3359129 -0.0000000), wk = 0.0028653 k( 103) = ( 0.1878788 0.3254156 -0.0000000), wk = 0.0028653 k( 104) = ( 0.1818182 0.3149183 -0.0000000), wk = 0.0028653 k( 105) = ( 0.1757576 0.3044211 -0.0000000), wk = 0.0028653 k( 106) = ( 0.1696970 0.2939238 -0.0000000), wk = 0.0028653 k( 107) = ( 0.1636364 0.2834265 -0.0000000), wk = 0.0028653 k( 108) = ( 0.1575758 0.2729292 -0.0000000), wk = 0.0028653 k( 109) = ( 0.1515151 0.2624319 -0.0000000), wk = 0.0028653 k( 110) = ( 0.1454545 0.2519347 -0.0000000), wk = 0.0028653 k( 111) = ( 0.1393939 0.2414374 -0.0000000), wk = 0.0028653 k( 112) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0028653 k( 113) = ( 0.1272727 0.2204428 -0.0000000), wk = 0.0028653 k( 114) = ( 0.1212121 0.2099456 -0.0000000), wk = 0.0028653 k( 115) = ( 0.1151515 0.1994483 -0.0000000), wk = 0.0028653 k( 116) = ( 0.1090909 0.1889510 -0.0000000), wk = 0.0028653 k( 117) = ( 0.1030303 0.1784537 -0.0000000), wk = 0.0028653 k( 118) = ( 0.0969697 0.1679564 -0.0000000), wk = 0.0028653 k( 119) = ( 0.0909091 0.1574592 -0.0000000), wk = 0.0028653 k( 120) = ( 0.0848485 0.1469619 -0.0000000), wk = 0.0028653 k( 121) = ( 0.0787879 0.1364646 -0.0000000), wk = 0.0028653 k( 122) = ( 0.0727273 0.1259673 -0.0000000), wk = 0.0028653 k( 123) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0028653 k( 124) = ( 0.0606061 0.1049728 -0.0000000), wk = 0.0028653 k( 125) = ( 0.0545455 0.0944755 -0.0000000), wk = 0.0028653 k( 126) = ( 0.0484849 0.0839782 -0.0000000), wk = 0.0028653 k( 127) = ( 0.0424242 0.0734809 -0.0000000), wk = 0.0028653 k( 128) = ( 0.0363636 0.0629837 -0.0000000), wk = 0.0028653 k( 129) = ( 0.0303030 0.0524864 -0.0000000), wk = 0.0028653 k( 130) = ( 0.0242424 0.0419891 -0.0000000), wk = 0.0028653 k( 131) = ( 0.0181818 0.0314918 -0.0000000), wk = 0.0028653 k( 132) = ( 0.0121212 0.0209946 -0.0000000), wk = 0.0028653 k( 133) = ( 0.0060606 0.0104973 -0.0000000), wk = 0.0028653 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028653 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028653 k( 136) = ( 0.0000000 0.0000000 0.0119337), wk = 0.0028653 k( 137) = ( 0.0000000 0.0000000 0.0238673), wk = 0.0028653 k( 138) = ( 0.0000000 0.0000000 0.0358010), wk = 0.0028653 k( 139) = ( 0.0000000 0.0000000 0.0477346), wk = 0.0028653 k( 140) = ( 0.0000000 0.0000000 0.0596683), wk = 0.0028653 k( 141) = ( 0.0000000 0.0000000 0.0716020), wk = 0.0028653 k( 142) = ( 0.0000000 0.0000000 0.0835356), wk = 0.0028653 k( 143) = ( 0.0000000 0.0000000 0.0954693), wk = 0.0028653 k( 144) = ( 0.0000000 0.0000000 0.1074030), wk = 0.0028653 k( 145) = ( 0.0000000 0.0000000 0.1193366), wk = 0.0028653 k( 146) = ( 0.0000000 0.0000000 0.1312703), wk = 0.0028653 k( 147) = ( 0.0000000 0.0000000 0.1432039), wk = 0.0028653 k( 148) = ( 0.0000000 0.0000000 0.1551376), wk = 0.0028653 k( 149) = ( 0.0000000 0.0000000 0.1670713), wk = 0.0028653 k( 150) = ( 0.0000000 0.0000000 0.1790049), wk = 0.0028653 k( 151) = ( 0.0000000 0.0000000 0.1909386), wk = 0.0028653 k( 152) = ( 0.0000000 0.0000000 0.2028722), wk = 0.0028653 k( 153) = ( 0.0000000 0.0000000 0.2148059), wk = 0.0028653 k( 154) = ( 0.0000000 0.0000000 0.2267396), wk = 0.0028653 k( 155) = ( 0.0000000 0.0000000 0.2386732), wk = 0.0028653 k( 156) = ( 0.0000000 0.0000000 0.2506069), wk = 0.0028653 k( 157) = ( 0.0000000 0.0000000 0.2625406), wk = 0.0028653 k( 158) = ( 0.0000000 0.0000000 0.2744742), wk = 0.0028653 k( 159) = ( 0.0000000 0.0000000 0.2864079), wk = 0.0028653 k( 160) = ( 0.0000000 0.0000000 0.2983415), wk = 0.0028653 k( 161) = ( 0.0000000 0.0000000 0.3102752), wk = 0.0028653 k( 162) = ( 0.0000000 0.0000000 0.3102752), wk = 0.0028653 k( 163) = ( 0.0104167 0.0060141 0.3102752), wk = 0.0028653 k( 164) = ( 0.0208333 0.0120281 0.3102752), wk = 0.0028653 k( 165) = ( 0.0312500 0.0180422 0.3102752), wk = 0.0028653 k( 166) = ( 0.0416667 0.0240563 0.3102752), wk = 0.0028653 k( 167) = ( 0.0520833 0.0300703 0.3102752), wk = 0.0028653 k( 168) = ( 0.0625000 0.0360844 0.3102752), wk = 0.0028653 k( 169) = ( 0.0729167 0.0420985 0.3102752), wk = 0.0028653 k( 170) = ( 0.0833333 0.0481125 0.3102752), wk = 0.0028653 k( 171) = ( 0.0937500 0.0541266 0.3102752), wk = 0.0028653 k( 172) = ( 0.1041667 0.0601407 0.3102752), wk = 0.0028653 k( 173) = ( 0.1145833 0.0661547 0.3102752), wk = 0.0028653 k( 174) = ( 0.1250000 0.0721688 0.3102752), wk = 0.0028653 k( 175) = ( 0.1354167 0.0781829 0.3102752), wk = 0.0028653 k( 176) = ( 0.1458333 0.0841969 0.3102752), wk = 0.0028653 k( 177) = ( 0.1562500 0.0902110 0.3102752), wk = 0.0028653 k( 178) = ( 0.1666667 0.0962250 0.3102752), wk = 0.0028653 k( 179) = ( 0.1770833 0.1022391 0.3102752), wk = 0.0028653 k( 180) = ( 0.1875000 0.1082532 0.3102752), wk = 0.0028653 k( 181) = ( 0.1979167 0.1142672 0.3102752), wk = 0.0028653 k( 182) = ( 0.2083333 0.1202813 0.3102752), wk = 0.0028653 k( 183) = ( 0.2187500 0.1262954 0.3102752), wk = 0.0028653 k( 184) = ( 0.2291667 0.1323094 0.3102752), wk = 0.0028653 k( 185) = ( 0.2395833 0.1383235 0.3102752), wk = 0.0028653 k( 186) = ( 0.2500000 0.1443376 0.3102752), wk = 0.0028653 k( 187) = ( 0.2604167 0.1503516 0.3102752), wk = 0.0028653 k( 188) = ( 0.2708333 0.1563657 0.3102752), wk = 0.0028653 k( 189) = ( 0.2812500 0.1623798 0.3102752), wk = 0.0028653 k( 190) = ( 0.2916667 0.1683938 0.3102752), wk = 0.0028653 k( 191) = ( 0.3020833 0.1744079 0.3102752), wk = 0.0028653 k( 192) = ( 0.3125000 0.1804220 0.3102752), wk = 0.0028653 k( 193) = ( 0.3229167 0.1864360 0.3102752), wk = 0.0028653 k( 194) = ( 0.3333333 0.1924501 0.3102752), wk = 0.0028653 k( 195) = ( 0.3437500 0.1984642 0.3102752), wk = 0.0028653 k( 196) = ( 0.3541667 0.2044782 0.3102752), wk = 0.0028653 k( 197) = ( 0.3645833 0.2104923 0.3102752), wk = 0.0028653 k( 198) = ( 0.3750000 0.2165064 0.3102752), wk = 0.0028653 k( 199) = ( 0.3854167 0.2225204 0.3102752), wk = 0.0028653 k( 200) = ( 0.3958333 0.2285345 0.3102752), wk = 0.0028653 k( 201) = ( 0.4062500 0.2345485 0.3102752), wk = 0.0028653 k( 202) = ( 0.4166667 0.2405626 0.3102752), wk = 0.0028653 k( 203) = ( 0.4270833 0.2465767 0.3102752), wk = 0.0028653 k( 204) = ( 0.4375000 0.2525907 0.3102752), wk = 0.0028653 k( 205) = ( 0.4479167 0.2586048 0.3102752), wk = 0.0028653 k( 206) = ( 0.4583333 0.2646189 0.3102752), wk = 0.0028653 k( 207) = ( 0.4687500 0.2706329 0.3102752), wk = 0.0028653 k( 208) = ( 0.4791667 0.2766470 0.3102752), wk = 0.0028653 k( 209) = ( 0.4895833 0.2826611 0.3102752), wk = 0.0028653 k( 210) = ( 0.5000000 0.2886751 0.3102752), wk = 0.0028653 k( 211) = ( 0.5000000 0.2886751 0.3102752), wk = 0.0028653 k( 212) = ( 0.4940476 0.2989850 0.3102752), wk = 0.0028653 k( 213) = ( 0.4880952 0.3092948 0.3102752), wk = 0.0028653 k( 214) = ( 0.4821429 0.3196046 0.3102752), wk = 0.0028653 k( 215) = ( 0.4761905 0.3299144 0.3102752), wk = 0.0028653 k( 216) = ( 0.4702381 0.3402243 0.3102752), wk = 0.0028653 k( 217) = ( 0.4642857 0.3505341 0.3102752), wk = 0.0028653 k( 218) = ( 0.4583333 0.3608439 0.3102752), wk = 0.0028653 k( 219) = ( 0.4523810 0.3711537 0.3102752), wk = 0.0028653 k( 220) = ( 0.4464286 0.3814636 0.3102752), wk = 0.0028653 k( 221) = ( 0.4404762 0.3917734 0.3102752), wk = 0.0028653 k( 222) = ( 0.4345238 0.4020832 0.3102752), wk = 0.0028653 k( 223) = ( 0.4285714 0.4123930 0.3102752), wk = 0.0028653 k( 224) = ( 0.4226190 0.4227029 0.3102752), wk = 0.0028653 k( 225) = ( 0.4166667 0.4330127 0.3102752), wk = 0.0028653 k( 226) = ( 0.4107143 0.4433225 0.3102752), wk = 0.0028653 k( 227) = ( 0.4047619 0.4536324 0.3102752), wk = 0.0028653 k( 228) = ( 0.3988095 0.4639422 0.3102752), wk = 0.0028653 k( 229) = ( 0.3928571 0.4742520 0.3102752), wk = 0.0028653 k( 230) = ( 0.3869048 0.4845618 0.3102752), wk = 0.0028653 k( 231) = ( 0.3809524 0.4948717 0.3102752), wk = 0.0028653 k( 232) = ( 0.3750000 0.5051815 0.3102752), wk = 0.0028653 k( 233) = ( 0.3690476 0.5154913 0.3102752), wk = 0.0028653 k( 234) = ( 0.3630952 0.5258011 0.3102752), wk = 0.0028653 k( 235) = ( 0.3571429 0.5361110 0.3102752), wk = 0.0028653 k( 236) = ( 0.3511905 0.5464208 0.3102752), wk = 0.0028653 k( 237) = ( 0.3452381 0.5567306 0.3102752), wk = 0.0028653 k( 238) = ( 0.3392857 0.5670404 0.3102752), wk = 0.0028653 k( 239) = ( 0.3333333 0.5773503 0.3102752), wk = 0.0028653 k( 240) = ( 0.3333333 0.5773503 0.3102752), wk = 0.0028653 k( 241) = ( 0.3272727 0.5668530 0.3102752), wk = 0.0028653 k( 242) = ( 0.3212121 0.5563557 0.3102752), wk = 0.0028653 k( 243) = ( 0.3151515 0.5458584 0.3102752), wk = 0.0028653 k( 244) = ( 0.3090909 0.5353612 0.3102752), wk = 0.0028653 k( 245) = ( 0.3030303 0.5248639 0.3102752), wk = 0.0028653 k( 246) = ( 0.2969697 0.5143666 0.3102752), wk = 0.0028653 k( 247) = ( 0.2909091 0.5038693 0.3102752), wk = 0.0028653 k( 248) = ( 0.2848485 0.4933720 0.3102752), wk = 0.0028653 k( 249) = ( 0.2787879 0.4828748 0.3102752), wk = 0.0028653 k( 250) = ( 0.2727273 0.4723775 0.3102752), wk = 0.0028653 k( 251) = ( 0.2666667 0.4618802 0.3102752), wk = 0.0028653 k( 252) = ( 0.2606061 0.4513829 0.3102752), wk = 0.0028653 k( 253) = ( 0.2545455 0.4408857 0.3102752), wk = 0.0028653 k( 254) = ( 0.2484849 0.4303884 0.3102752), wk = 0.0028653 k( 255) = ( 0.2424242 0.4198911 0.3102752), wk = 0.0028653 k( 256) = ( 0.2363636 0.4093938 0.3102752), wk = 0.0028653 k( 257) = ( 0.2303030 0.3988965 0.3102752), wk = 0.0028653 k( 258) = ( 0.2242424 0.3883993 0.3102752), wk = 0.0028653 k( 259) = ( 0.2181818 0.3779020 0.3102752), wk = 0.0028653 k( 260) = ( 0.2121212 0.3674047 0.3102752), wk = 0.0028653 k( 261) = ( 0.2060606 0.3569074 0.3102752), wk = 0.0028653 k( 262) = ( 0.2000000 0.3464102 0.3102752), wk = 0.0028653 k( 263) = ( 0.1939394 0.3359129 0.3102752), wk = 0.0028653 k( 264) = ( 0.1878788 0.3254156 0.3102752), wk = 0.0028653 k( 265) = ( 0.1818182 0.3149183 0.3102752), wk = 0.0028653 k( 266) = ( 0.1757576 0.3044211 0.3102752), wk = 0.0028653 k( 267) = ( 0.1696970 0.2939238 0.3102752), wk = 0.0028653 k( 268) = ( 0.1636364 0.2834265 0.3102752), wk = 0.0028653 k( 269) = ( 0.1575758 0.2729292 0.3102752), wk = 0.0028653 k( 270) = ( 0.1515151 0.2624319 0.3102752), wk = 0.0028653 k( 271) = ( 0.1454545 0.2519347 0.3102752), wk = 0.0028653 k( 272) = ( 0.1393939 0.2414374 0.3102752), wk = 0.0028653 k( 273) = ( 0.1333333 0.2309401 0.3102752), wk = 0.0028653 k( 274) = ( 0.1272727 0.2204428 0.3102752), wk = 0.0028653 k( 275) = ( 0.1212121 0.2099456 0.3102752), wk = 0.0028653 k( 276) = ( 0.1151515 0.1994483 0.3102752), wk = 0.0028653 k( 277) = ( 0.1090909 0.1889510 0.3102752), wk = 0.0028653 k( 278) = ( 0.1030303 0.1784537 0.3102752), wk = 0.0028653 k( 279) = ( 0.0969697 0.1679564 0.3102752), wk = 0.0028653 k( 280) = ( 0.0909091 0.1574592 0.3102752), wk = 0.0028653 k( 281) = ( 0.0848485 0.1469619 0.3102752), wk = 0.0028653 k( 282) = ( 0.0787879 0.1364646 0.3102752), wk = 0.0028653 k( 283) = ( 0.0727273 0.1259673 0.3102752), wk = 0.0028653 k( 284) = ( 0.0666667 0.1154701 0.3102752), wk = 0.0028653 k( 285) = ( 0.0606061 0.1049728 0.3102752), wk = 0.0028653 k( 286) = ( 0.0545455 0.0944755 0.3102752), wk = 0.0028653 k( 287) = ( 0.0484849 0.0839782 0.3102752), wk = 0.0028653 k( 288) = ( 0.0424242 0.0734809 0.3102752), wk = 0.0028653 k( 289) = ( 0.0363636 0.0629837 0.3102752), wk = 0.0028653 k( 290) = ( 0.0303030 0.0524864 0.3102752), wk = 0.0028653 k( 291) = ( 0.0242424 0.0419891 0.3102752), wk = 0.0028653 k( 292) = ( 0.0181818 0.0314918 0.3102752), wk = 0.0028653 k( 293) = ( 0.0121212 0.0209946 0.3102752), wk = 0.0028653 k( 294) = ( 0.0060606 0.0104973 0.3102752), wk = 0.0028653 k( 295) = ( 0.0000000 0.0000000 0.3102752), wk = 0.0028653 k( 296) = ( 0.5000000 0.2886751 0.3102752), wk = 0.0028653 k( 297) = ( 0.5000000 0.2886751 0.2983415), wk = 0.0028653 k( 298) = ( 0.5000000 0.2886751 0.2864079), wk = 0.0028653 k( 299) = ( 0.5000000 0.2886751 0.2744742), wk = 0.0028653 k( 300) = ( 0.5000000 0.2886751 0.2625406), wk = 0.0028653 k( 301) = ( 0.5000000 0.2886751 0.2506069), wk = 0.0028653 k( 302) = ( 0.5000000 0.2886751 0.2386732), wk = 0.0028653 k( 303) = ( 0.5000000 0.2886751 0.2267396), wk = 0.0028653 k( 304) = ( 0.5000000 0.2886751 0.2148059), wk = 0.0028653 k( 305) = ( 0.5000000 0.2886751 0.2028722), wk = 0.0028653 k( 306) = ( 0.5000000 0.2886751 0.1909386), wk = 0.0028653 k( 307) = ( 0.5000000 0.2886751 0.1790049), wk = 0.0028653 k( 308) = ( 0.5000000 0.2886751 0.1670713), wk = 0.0028653 k( 309) = ( 0.5000000 0.2886751 0.1551376), wk = 0.0028653 k( 310) = ( 0.5000000 0.2886751 0.1432039), wk = 0.0028653 k( 311) = ( 0.5000000 0.2886751 0.1312703), wk = 0.0028653 k( 312) = ( 0.5000000 0.2886751 0.1193366), wk = 0.0028653 k( 313) = ( 0.5000000 0.2886751 0.1074030), wk = 0.0028653 k( 314) = ( 0.5000000 0.2886751 0.0954693), wk = 0.0028653 k( 315) = ( 0.5000000 0.2886751 0.0835356), wk = 0.0028653 k( 316) = ( 0.5000000 0.2886751 0.0716020), wk = 0.0028653 k( 317) = ( 0.5000000 0.2886751 0.0596683), wk = 0.0028653 k( 318) = ( 0.5000000 0.2886751 0.0477346), wk = 0.0028653 k( 319) = ( 0.5000000 0.2886751 0.0358010), wk = 0.0028653 k( 320) = ( 0.5000000 0.2886751 0.0238673), wk = 0.0028653 k( 321) = ( 0.5000000 0.2886751 0.0119337), wk = 0.0028653 k( 322) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028653 k( 323) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028653 k( 324) = ( 0.3333333 0.5773503 0.0119337), wk = 0.0028653 k( 325) = ( 0.3333333 0.5773503 0.0238673), wk = 0.0028653 k( 326) = ( 0.3333333 0.5773503 0.0358010), wk = 0.0028653 k( 327) = ( 0.3333333 0.5773503 0.0477346), wk = 0.0028653 k( 328) = ( 0.3333333 0.5773503 0.0596683), wk = 0.0028653 k( 329) = ( 0.3333333 0.5773503 0.0716020), wk = 0.0028653 k( 330) = ( 0.3333333 0.5773503 0.0835356), wk = 0.0028653 k( 331) = ( 0.3333333 0.5773503 0.0954693), wk = 0.0028653 k( 332) = ( 0.3333333 0.5773503 0.1074030), wk = 0.0028653 k( 333) = ( 0.3333333 0.5773503 0.1193366), wk = 0.0028653 k( 334) = ( 0.3333333 0.5773503 0.1312703), wk = 0.0028653 k( 335) = ( 0.3333333 0.5773503 0.1432039), wk = 0.0028653 k( 336) = ( 0.3333333 0.5773503 0.1551376), wk = 0.0028653 k( 337) = ( 0.3333333 0.5773503 0.1670713), wk = 0.0028653 k( 338) = ( 0.3333333 0.5773503 0.1790049), wk = 0.0028653 k( 339) = ( 0.3333333 0.5773503 0.1909386), wk = 0.0028653 k( 340) = ( 0.3333333 0.5773503 0.2028722), wk = 0.0028653 k( 341) = ( 0.3333333 0.5773503 0.2148059), wk = 0.0028653 k( 342) = ( 0.3333333 0.5773503 0.2267396), wk = 0.0028653 k( 343) = ( 0.3333333 0.5773503 0.2386732), wk = 0.0028653 k( 344) = ( 0.3333333 0.5773503 0.2506069), wk = 0.0028653 k( 345) = ( 0.3333333 0.5773503 0.2625406), wk = 0.0028653 k( 346) = ( 0.3333333 0.5773503 0.2744742), wk = 0.0028653 k( 347) = ( 0.3333333 0.5773503 0.2864079), wk = 0.0028653 k( 348) = ( 0.3333333 0.5773503 0.2983415), wk = 0.0028653 k( 349) = ( 0.3333333 0.5773503 0.3102752), wk = 0.0028653 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028653 k( 2) = ( 0.0104167 0.0000000 -0.0000000), wk = 0.0028653 k( 3) = ( 0.0208333 0.0000000 -0.0000000), wk = 0.0028653 k( 4) = ( 0.0312500 0.0000000 -0.0000000), wk = 0.0028653 k( 5) = ( 0.0416667 -0.0000000 -0.0000000), wk = 0.0028653 k( 6) = ( 0.0520833 0.0000000 -0.0000000), wk = 0.0028653 k( 7) = ( 0.0625000 0.0000000 -0.0000000), wk = 0.0028653 k( 8) = ( 0.0729167 0.0000000 0.0000000), wk = 0.0028653 k( 9) = ( 0.0833333 0.0000000 -0.0000000), wk = 0.0028653 k( 10) = ( 0.0937500 0.0000000 -0.0000000), wk = 0.0028653 k( 11) = ( 0.1041667 -0.0000000 -0.0000000), wk = 0.0028653 k( 12) = ( 0.1145833 0.0000000 -0.0000000), wk = 0.0028653 k( 13) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0028653 k( 14) = ( 0.1354167 0.0000000 -0.0000000), wk = 0.0028653 k( 15) = ( 0.1458333 0.0000000 -0.0000000), wk = 0.0028653 k( 16) = ( 0.1562500 0.0000000 0.0000000), wk = 0.0028653 k( 17) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0028653 k( 18) = ( 0.1770833 0.0000000 0.0000000), wk = 0.0028653 k( 19) = ( 0.1875000 0.0000000 -0.0000000), wk = 0.0028653 k( 20) = ( 0.1979167 0.0000000 -0.0000000), wk = 0.0028653 k( 21) = ( 0.2083333 0.0000000 -0.0000000), wk = 0.0028653 k( 22) = ( 0.2187500 0.0000000 -0.0000000), wk = 0.0028653 k( 23) = ( 0.2291667 0.0000000 -0.0000000), wk = 0.0028653 k( 24) = ( 0.2395833 0.0000000 -0.0000000), wk = 0.0028653 k( 25) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0028653 k( 26) = ( 0.2604167 -0.0000000 -0.0000000), wk = 0.0028653 k( 27) = ( 0.2708333 -0.0000000 -0.0000000), wk = 0.0028653 k( 28) = ( 0.2812500 0.0000000 -0.0000000), wk = 0.0028653 k( 29) = ( 0.2916667 0.0000000 -0.0000000), wk = 0.0028653 k( 30) = ( 0.3020833 0.0000000 -0.0000000), wk = 0.0028653 k( 31) = ( 0.3125000 0.0000000 0.0000000), wk = 0.0028653 k( 32) = ( 0.3229167 0.0000000 -0.0000000), wk = 0.0028653 k( 33) = ( 0.3333333 0.0000000 -0.0000000), wk = 0.0028653 k( 34) = ( 0.3437500 -0.0000000 -0.0000000), wk = 0.0028653 k( 35) = ( 0.3541667 -0.0000000 0.0000000), wk = 0.0028653 k( 36) = ( 0.3645833 0.0000000 0.0000000), wk = 0.0028653 k( 37) = ( 0.3750000 0.0000000 -0.0000000), wk = 0.0028653 k( 38) = ( 0.3854167 0.0000000 -0.0000000), wk = 0.0028653 k( 39) = ( 0.3958333 0.0000000 -0.0000000), wk = 0.0028653 k( 40) = ( 0.4062500 0.0000000 -0.0000000), wk = 0.0028653 k( 41) = ( 0.4166667 0.0000000 -0.0000000), wk = 0.0028653 k( 42) = ( 0.4270833 0.0000000 -0.0000000), wk = 0.0028653 k( 43) = ( 0.4375000 0.0000000 -0.0000000), wk = 0.0028653 k( 44) = ( 0.4479167 0.0000000 0.0000000), wk = 0.0028653 k( 45) = ( 0.4583333 0.0000000 -0.0000000), wk = 0.0028653 k( 46) = ( 0.4687500 0.0000000 -0.0000000), wk = 0.0028653 k( 47) = ( 0.4791667 0.0000000 0.0000000), wk = 0.0028653 k( 48) = ( 0.4895833 0.0000000 0.0000000), wk = 0.0028653 k( 49) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028653 k( 50) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028653 k( 51) = ( 0.4940476 0.0119048 -0.0000000), wk = 0.0028653 k( 52) = ( 0.4880952 0.0238095 -0.0000000), wk = 0.0028653 k( 53) = ( 0.4821429 0.0357143 0.0000000), wk = 0.0028653 k( 54) = ( 0.4761905 0.0476191 0.0000000), wk = 0.0028653 k( 55) = ( 0.4702381 0.0595238 -0.0000000), wk = 0.0028653 k( 56) = ( 0.4642857 0.0714286 0.0000000), wk = 0.0028653 k( 57) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0028653 k( 58) = ( 0.4523810 0.0952381 -0.0000000), wk = 0.0028653 k( 59) = ( 0.4464286 0.1071429 -0.0000000), wk = 0.0028653 k( 60) = ( 0.4404762 0.1190476 0.0000000), wk = 0.0028653 k( 61) = ( 0.4345238 0.1309524 0.0000000), wk = 0.0028653 k( 62) = ( 0.4285714 0.1428571 0.0000000), wk = 0.0028653 k( 63) = ( 0.4226190 0.1547619 0.0000000), wk = 0.0028653 k( 64) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0028653 k( 65) = ( 0.4107143 0.1785714 -0.0000000), wk = 0.0028653 k( 66) = ( 0.4047619 0.1904762 -0.0000000), wk = 0.0028653 k( 67) = ( 0.3988095 0.2023810 -0.0000000), wk = 0.0028653 k( 68) = ( 0.3928571 0.2142857 -0.0000000), wk = 0.0028653 k( 69) = ( 0.3869048 0.2261905 -0.0000000), wk = 0.0028653 k( 70) = ( 0.3809524 0.2380952 -0.0000000), wk = 0.0028653 k( 71) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0028653 k( 72) = ( 0.3690476 0.2619048 0.0000000), wk = 0.0028653 k( 73) = ( 0.3630952 0.2738095 0.0000000), wk = 0.0028653 k( 74) = ( 0.3571429 0.2857143 -0.0000000), wk = 0.0028653 k( 75) = ( 0.3511905 0.2976191 -0.0000000), wk = 0.0028653 k( 76) = ( 0.3452381 0.3095238 0.0000000), wk = 0.0028653 k( 77) = ( 0.3392857 0.3214286 0.0000000), wk = 0.0028653 k( 78) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0028653 k( 79) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0028653 k( 80) = ( 0.3272727 0.3272727 0.0000000), wk = 0.0028653 k( 81) = ( 0.3212121 0.3212121 -0.0000000), wk = 0.0028653 k( 82) = ( 0.3151515 0.3151515 -0.0000000), wk = 0.0028653 k( 83) = ( 0.3090909 0.3090909 -0.0000000), wk = 0.0028653 k( 84) = ( 0.3030303 0.3030303 -0.0000000), wk = 0.0028653 k( 85) = ( 0.2969697 0.2969697 -0.0000000), wk = 0.0028653 k( 86) = ( 0.2909091 0.2909091 -0.0000000), wk = 0.0028653 k( 87) = ( 0.2848485 0.2848485 0.0000000), wk = 0.0028653 k( 88) = ( 0.2787879 0.2787879 -0.0000000), wk = 0.0028653 k( 89) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0028653 k( 90) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0028653 k( 91) = ( 0.2606061 0.2606061 -0.0000000), wk = 0.0028653 k( 92) = ( 0.2545455 0.2545455 -0.0000000), wk = 0.0028653 k( 93) = ( 0.2484849 0.2484849 -0.0000000), wk = 0.0028653 k( 94) = ( 0.2424242 0.2424242 -0.0000000), wk = 0.0028653 k( 95) = ( 0.2363636 0.2363636 -0.0000000), wk = 0.0028653 k( 96) = ( 0.2303030 0.2303030 -0.0000000), wk = 0.0028653 k( 97) = ( 0.2242424 0.2242424 -0.0000000), wk = 0.0028653 k( 98) = ( 0.2181818 0.2181818 0.0000000), wk = 0.0028653 k( 99) = ( 0.2121212 0.2121212 0.0000000), wk = 0.0028653 k( 100) = ( 0.2060606 0.2060606 -0.0000000), wk = 0.0028653 k( 101) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0028653 k( 102) = ( 0.1939394 0.1939394 -0.0000000), wk = 0.0028653 k( 103) = ( 0.1878788 0.1878788 -0.0000000), wk = 0.0028653 k( 104) = ( 0.1818182 0.1818182 0.0000000), wk = 0.0028653 k( 105) = ( 0.1757576 0.1757576 -0.0000000), wk = 0.0028653 k( 106) = ( 0.1696970 0.1696970 -0.0000000), wk = 0.0028653 k( 107) = ( 0.1636364 0.1636364 0.0000000), wk = 0.0028653 k( 108) = ( 0.1575758 0.1575758 -0.0000000), wk = 0.0028653 k( 109) = ( 0.1515151 0.1515152 -0.0000000), wk = 0.0028653 k( 110) = ( 0.1454545 0.1454546 0.0000000), wk = 0.0028653 k( 111) = ( 0.1393939 0.1393939 -0.0000000), wk = 0.0028653 k( 112) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0028653 k( 113) = ( 0.1272727 0.1272727 0.0000000), wk = 0.0028653 k( 114) = ( 0.1212121 0.1212121 -0.0000000), wk = 0.0028653 k( 115) = ( 0.1151515 0.1151515 -0.0000000), wk = 0.0028653 k( 116) = ( 0.1090909 0.1090909 0.0000000), wk = 0.0028653 k( 117) = ( 0.1030303 0.1030303 0.0000000), wk = 0.0028653 k( 118) = ( 0.0969697 0.0969697 0.0000000), wk = 0.0028653 k( 119) = ( 0.0909091 0.0909091 0.0000000), wk = 0.0028653 k( 120) = ( 0.0848485 0.0848485 0.0000000), wk = 0.0028653 k( 121) = ( 0.0787879 0.0787879 -0.0000000), wk = 0.0028653 k( 122) = ( 0.0727273 0.0727273 -0.0000000), wk = 0.0028653 k( 123) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0028653 k( 124) = ( 0.0606061 0.0606061 -0.0000000), wk = 0.0028653 k( 125) = ( 0.0545455 0.0545455 -0.0000000), wk = 0.0028653 k( 126) = ( 0.0484849 0.0484849 0.0000000), wk = 0.0028653 k( 127) = ( 0.0424242 0.0424242 0.0000000), wk = 0.0028653 k( 128) = ( 0.0363636 0.0363636 -0.0000000), wk = 0.0028653 k( 129) = ( 0.0303030 0.0303030 -0.0000000), wk = 0.0028653 k( 130) = ( 0.0242424 0.0242424 0.0000000), wk = 0.0028653 k( 131) = ( 0.0181818 0.0181818 -0.0000000), wk = 0.0028653 k( 132) = ( 0.0121212 0.0121212 0.0000000), wk = 0.0028653 k( 133) = ( 0.0060606 0.0060606 -0.0000000), wk = 0.0028653 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028653 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028653 k( 136) = ( 0.0000000 0.0000000 0.0192308), wk = 0.0028653 k( 137) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0028653 k( 138) = ( 0.0000000 0.0000000 0.0576923), wk = 0.0028653 k( 139) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0028653 k( 140) = ( 0.0000000 0.0000000 0.0961539), wk = 0.0028653 k( 141) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0028653 k( 142) = ( 0.0000000 0.0000000 0.1346154), wk = 0.0028653 k( 143) = ( 0.0000000 0.0000000 0.1538462), wk = 0.0028653 k( 144) = ( 0.0000000 0.0000000 0.1730769), wk = 0.0028653 k( 145) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0028653 k( 146) = ( 0.0000000 0.0000000 0.2115385), wk = 0.0028653 k( 147) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0028653 k( 148) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0028653 k( 149) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0028653 k( 150) = ( 0.0000000 0.0000000 0.2884615), wk = 0.0028653 k( 151) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0028653 k( 152) = ( 0.0000000 0.0000000 0.3269231), wk = 0.0028653 k( 153) = ( 0.0000000 0.0000000 0.3461539), wk = 0.0028653 k( 154) = ( 0.0000000 0.0000000 0.3653846), wk = 0.0028653 k( 155) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0028653 k( 156) = ( 0.0000000 0.0000000 0.4038462), wk = 0.0028653 k( 157) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0028653 k( 158) = ( 0.0000000 0.0000000 0.4423077), wk = 0.0028653 k( 159) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0028653 k( 160) = ( 0.0000000 0.0000000 0.4807692), wk = 0.0028653 k( 161) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028653 k( 162) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028653 k( 163) = ( 0.0104167 0.0000000 0.5000000), wk = 0.0028653 k( 164) = ( 0.0208333 0.0000000 0.5000000), wk = 0.0028653 k( 165) = ( 0.0312500 0.0000000 0.5000000), wk = 0.0028653 k( 166) = ( 0.0416667 -0.0000000 0.5000000), wk = 0.0028653 k( 167) = ( 0.0520833 0.0000000 0.5000000), wk = 0.0028653 k( 168) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0028653 k( 169) = ( 0.0729167 0.0000000 0.5000000), wk = 0.0028653 k( 170) = ( 0.0833333 0.0000000 0.5000000), wk = 0.0028653 k( 171) = ( 0.0937500 0.0000000 0.5000000), wk = 0.0028653 k( 172) = ( 0.1041667 -0.0000000 0.5000000), wk = 0.0028653 k( 173) = ( 0.1145833 0.0000000 0.5000000), wk = 0.0028653 k( 174) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0028653 k( 175) = ( 0.1354167 0.0000000 0.5000000), wk = 0.0028653 k( 176) = ( 0.1458333 0.0000000 0.5000000), wk = 0.0028653 k( 177) = ( 0.1562500 0.0000000 0.5000000), wk = 0.0028653 k( 178) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0028653 k( 179) = ( 0.1770833 0.0000000 0.5000000), wk = 0.0028653 k( 180) = ( 0.1875000 0.0000000 0.5000000), wk = 0.0028653 k( 181) = ( 0.1979167 0.0000000 0.5000000), wk = 0.0028653 k( 182) = ( 0.2083333 0.0000000 0.5000000), wk = 0.0028653 k( 183) = ( 0.2187500 0.0000000 0.5000000), wk = 0.0028653 k( 184) = ( 0.2291667 0.0000000 0.5000000), wk = 0.0028653 k( 185) = ( 0.2395833 0.0000000 0.5000000), wk = 0.0028653 k( 186) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0028653 k( 187) = ( 0.2604167 -0.0000000 0.5000000), wk = 0.0028653 k( 188) = ( 0.2708333 -0.0000000 0.5000000), wk = 0.0028653 k( 189) = ( 0.2812500 0.0000000 0.5000000), wk = 0.0028653 k( 190) = ( 0.2916667 0.0000000 0.5000000), wk = 0.0028653 k( 191) = ( 0.3020833 0.0000000 0.5000000), wk = 0.0028653 k( 192) = ( 0.3125000 0.0000000 0.5000000), wk = 0.0028653 k( 193) = ( 0.3229167 0.0000000 0.5000000), wk = 0.0028653 k( 194) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0028653 k( 195) = ( 0.3437500 -0.0000000 0.5000000), wk = 0.0028653 k( 196) = ( 0.3541667 -0.0000000 0.5000000), wk = 0.0028653 k( 197) = ( 0.3645833 0.0000000 0.5000000), wk = 0.0028653 k( 198) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0028653 k( 199) = ( 0.3854167 0.0000000 0.5000000), wk = 0.0028653 k( 200) = ( 0.3958333 0.0000000 0.5000000), wk = 0.0028653 k( 201) = ( 0.4062500 0.0000000 0.5000000), wk = 0.0028653 k( 202) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0028653 k( 203) = ( 0.4270833 0.0000000 0.5000000), wk = 0.0028653 k( 204) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0028653 k( 205) = ( 0.4479167 0.0000000 0.5000000), wk = 0.0028653 k( 206) = ( 0.4583333 0.0000000 0.5000000), wk = 0.0028653 k( 207) = ( 0.4687500 0.0000000 0.5000000), wk = 0.0028653 k( 208) = ( 0.4791667 0.0000000 0.5000000), wk = 0.0028653 k( 209) = ( 0.4895833 0.0000000 0.5000000), wk = 0.0028653 k( 210) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028653 k( 211) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028653 k( 212) = ( 0.4940476 0.0119048 0.5000000), wk = 0.0028653 k( 213) = ( 0.4880952 0.0238095 0.5000000), wk = 0.0028653 k( 214) = ( 0.4821429 0.0357143 0.5000000), wk = 0.0028653 k( 215) = ( 0.4761905 0.0476191 0.5000000), wk = 0.0028653 k( 216) = ( 0.4702381 0.0595238 0.5000000), wk = 0.0028653 k( 217) = ( 0.4642857 0.0714286 0.5000000), wk = 0.0028653 k( 218) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0028653 k( 219) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0028653 k( 220) = ( 0.4464286 0.1071429 0.5000000), wk = 0.0028653 k( 221) = ( 0.4404762 0.1190476 0.5000000), wk = 0.0028653 k( 222) = ( 0.4345238 0.1309524 0.5000000), wk = 0.0028653 k( 223) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0028653 k( 224) = ( 0.4226190 0.1547619 0.5000000), wk = 0.0028653 k( 225) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0028653 k( 226) = ( 0.4107143 0.1785714 0.5000000), wk = 0.0028653 k( 227) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0028653 k( 228) = ( 0.3988095 0.2023810 0.5000000), wk = 0.0028653 k( 229) = ( 0.3928571 0.2142857 0.5000000), wk = 0.0028653 k( 230) = ( 0.3869048 0.2261905 0.5000000), wk = 0.0028653 k( 231) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0028653 k( 232) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0028653 k( 233) = ( 0.3690476 0.2619048 0.5000000), wk = 0.0028653 k( 234) = ( 0.3630952 0.2738095 0.5000000), wk = 0.0028653 k( 235) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0028653 k( 236) = ( 0.3511905 0.2976191 0.5000000), wk = 0.0028653 k( 237) = ( 0.3452381 0.3095238 0.5000000), wk = 0.0028653 k( 238) = ( 0.3392857 0.3214286 0.5000000), wk = 0.0028653 k( 239) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028653 k( 240) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028653 k( 241) = ( 0.3272727 0.3272727 0.5000000), wk = 0.0028653 k( 242) = ( 0.3212121 0.3212121 0.5000000), wk = 0.0028653 k( 243) = ( 0.3151515 0.3151515 0.5000000), wk = 0.0028653 k( 244) = ( 0.3090909 0.3090909 0.5000000), wk = 0.0028653 k( 245) = ( 0.3030303 0.3030303 0.5000000), wk = 0.0028653 k( 246) = ( 0.2969697 0.2969697 0.5000000), wk = 0.0028653 k( 247) = ( 0.2909091 0.2909091 0.5000000), wk = 0.0028653 k( 248) = ( 0.2848485 0.2848485 0.5000000), wk = 0.0028653 k( 249) = ( 0.2787879 0.2787879 0.5000000), wk = 0.0028653 k( 250) = ( 0.2727273 0.2727273 0.5000000), wk = 0.0028653 k( 251) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0028653 k( 252) = ( 0.2606061 0.2606061 0.5000000), wk = 0.0028653 k( 253) = ( 0.2545455 0.2545455 0.5000000), wk = 0.0028653 k( 254) = ( 0.2484849 0.2484849 0.5000000), wk = 0.0028653 k( 255) = ( 0.2424242 0.2424242 0.5000000), wk = 0.0028653 k( 256) = ( 0.2363636 0.2363636 0.5000000), wk = 0.0028653 k( 257) = ( 0.2303030 0.2303030 0.5000000), wk = 0.0028653 k( 258) = ( 0.2242424 0.2242424 0.5000000), wk = 0.0028653 k( 259) = ( 0.2181818 0.2181818 0.5000000), wk = 0.0028653 k( 260) = ( 0.2121212 0.2121212 0.5000000), wk = 0.0028653 k( 261) = ( 0.2060606 0.2060606 0.5000000), wk = 0.0028653 k( 262) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0028653 k( 263) = ( 0.1939394 0.1939394 0.5000000), wk = 0.0028653 k( 264) = ( 0.1878788 0.1878788 0.5000000), wk = 0.0028653 k( 265) = ( 0.1818182 0.1818182 0.5000000), wk = 0.0028653 k( 266) = ( 0.1757576 0.1757576 0.5000000), wk = 0.0028653 k( 267) = ( 0.1696970 0.1696970 0.5000000), wk = 0.0028653 k( 268) = ( 0.1636364 0.1636364 0.5000000), wk = 0.0028653 k( 269) = ( 0.1575758 0.1575758 0.5000000), wk = 0.0028653 k( 270) = ( 0.1515151 0.1515152 0.5000000), wk = 0.0028653 k( 271) = ( 0.1454545 0.1454546 0.5000000), wk = 0.0028653 k( 272) = ( 0.1393939 0.1393939 0.5000000), wk = 0.0028653 k( 273) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0028653 k( 274) = ( 0.1272727 0.1272727 0.5000000), wk = 0.0028653 k( 275) = ( 0.1212121 0.1212121 0.5000000), wk = 0.0028653 k( 276) = ( 0.1151515 0.1151515 0.5000000), wk = 0.0028653 k( 277) = ( 0.1090909 0.1090909 0.5000000), wk = 0.0028653 k( 278) = ( 0.1030303 0.1030303 0.5000000), wk = 0.0028653 k( 279) = ( 0.0969697 0.0969697 0.5000000), wk = 0.0028653 k( 280) = ( 0.0909091 0.0909091 0.5000000), wk = 0.0028653 k( 281) = ( 0.0848485 0.0848485 0.5000000), wk = 0.0028653 k( 282) = ( 0.0787879 0.0787879 0.5000000), wk = 0.0028653 k( 283) = ( 0.0727273 0.0727273 0.5000000), wk = 0.0028653 k( 284) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0028653 k( 285) = ( 0.0606061 0.0606061 0.5000000), wk = 0.0028653 k( 286) = ( 0.0545455 0.0545455 0.5000000), wk = 0.0028653 k( 287) = ( 0.0484849 0.0484849 0.5000000), wk = 0.0028653 k( 288) = ( 0.0424242 0.0424242 0.5000000), wk = 0.0028653 k( 289) = ( 0.0363636 0.0363636 0.5000000), wk = 0.0028653 k( 290) = ( 0.0303030 0.0303030 0.5000000), wk = 0.0028653 k( 291) = ( 0.0242424 0.0242424 0.5000000), wk = 0.0028653 k( 292) = ( 0.0181818 0.0181818 0.5000000), wk = 0.0028653 k( 293) = ( 0.0121212 0.0121212 0.5000000), wk = 0.0028653 k( 294) = ( 0.0060606 0.0060606 0.5000000), wk = 0.0028653 k( 295) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028653 k( 296) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028653 k( 297) = ( 0.5000000 0.0000000 0.4807692), wk = 0.0028653 k( 298) = ( 0.5000000 0.0000000 0.4615385), wk = 0.0028653 k( 299) = ( 0.5000000 0.0000000 0.4423077), wk = 0.0028653 k( 300) = ( 0.5000000 0.0000000 0.4230769), wk = 0.0028653 k( 301) = ( 0.5000000 0.0000000 0.4038462), wk = 0.0028653 k( 302) = ( 0.5000000 0.0000000 0.3846154), wk = 0.0028653 k( 303) = ( 0.5000000 0.0000000 0.3653846), wk = 0.0028653 k( 304) = ( 0.5000000 0.0000000 0.3461539), wk = 0.0028653 k( 305) = ( 0.5000000 0.0000000 0.3269231), wk = 0.0028653 k( 306) = ( 0.5000000 0.0000000 0.3076923), wk = 0.0028653 k( 307) = ( 0.5000000 0.0000000 0.2884615), wk = 0.0028653 k( 308) = ( 0.5000000 0.0000000 0.2692308), wk = 0.0028653 k( 309) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0028653 k( 310) = ( 0.5000000 0.0000000 0.2307692), wk = 0.0028653 k( 311) = ( 0.5000000 0.0000000 0.2115385), wk = 0.0028653 k( 312) = ( 0.5000000 0.0000000 0.1923077), wk = 0.0028653 k( 313) = ( 0.5000000 0.0000000 0.1730769), wk = 0.0028653 k( 314) = ( 0.5000000 0.0000000 0.1538462), wk = 0.0028653 k( 315) = ( 0.5000000 0.0000000 0.1346154), wk = 0.0028653 k( 316) = ( 0.5000000 0.0000000 0.1153846), wk = 0.0028653 k( 317) = ( 0.5000000 0.0000000 0.0961539), wk = 0.0028653 k( 318) = ( 0.5000000 0.0000000 0.0769231), wk = 0.0028653 k( 319) = ( 0.5000000 0.0000000 0.0576923), wk = 0.0028653 k( 320) = ( 0.5000000 0.0000000 0.0384615), wk = 0.0028653 k( 321) = ( 0.5000000 0.0000000 0.0192308), wk = 0.0028653 k( 322) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028653 k( 323) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0028653 k( 324) = ( 0.3333333 0.3333333 0.0192308), wk = 0.0028653 k( 325) = ( 0.3333333 0.3333333 0.0384615), wk = 0.0028653 k( 326) = ( 0.3333333 0.3333333 0.0576923), wk = 0.0028653 k( 327) = ( 0.3333333 0.3333333 0.0769231), wk = 0.0028653 k( 328) = ( 0.3333333 0.3333333 0.0961539), wk = 0.0028653 k( 329) = ( 0.3333333 0.3333333 0.1153846), wk = 0.0028653 k( 330) = ( 0.3333333 0.3333333 0.1346154), wk = 0.0028653 k( 331) = ( 0.3333333 0.3333333 0.1538462), wk = 0.0028653 k( 332) = ( 0.3333333 0.3333333 0.1730769), wk = 0.0028653 k( 333) = ( 0.3333333 0.3333333 0.1923077), wk = 0.0028653 k( 334) = ( 0.3333333 0.3333333 0.2115385), wk = 0.0028653 k( 335) = ( 0.3333333 0.3333333 0.2307692), wk = 0.0028653 k( 336) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0028653 k( 337) = ( 0.3333333 0.3333333 0.2692308), wk = 0.0028653 k( 338) = ( 0.3333333 0.3333333 0.2884615), wk = 0.0028653 k( 339) = ( 0.3333333 0.3333333 0.3076923), wk = 0.0028653 k( 340) = ( 0.3333333 0.3333333 0.3269231), wk = 0.0028653 k( 341) = ( 0.3333333 0.3333333 0.3461539), wk = 0.0028653 k( 342) = ( 0.3333333 0.3333333 0.3653846), wk = 0.0028653 k( 343) = ( 0.3333333 0.3333333 0.3846154), wk = 0.0028653 k( 344) = ( 0.3333333 0.3333333 0.4038462), wk = 0.0028653 k( 345) = ( 0.3333333 0.3333333 0.4230769), wk = 0.0028653 k( 346) = ( 0.3333333 0.3333333 0.4423077), wk = 0.0028653 k( 347) = ( 0.3333333 0.3333333 0.4615385), wk = 0.0028653 k( 348) = ( 0.3333333 0.3333333 0.4807692), wk = 0.0028653 k( 349) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028653 Dense grid: 34763 G-vectors FFT dimensions: ( 40, 40, 60) Smooth grid: 23391 G-vectors FFT dimensions: ( 32, 32, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 172, 34) NL pseudopotentials 0.08 Mb ( 86, 62) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 964) G-vector shells 0.00 Mb ( 476) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.36 Mb ( 172, 136) Each subspace H/S matrix 0.02 Mb ( 34, 34) Each matrix 0.06 Mb ( 62, 2, 34) The potential is recalculated from file : ./SnSe2.save/charge-density.dat Starting wfc are 34 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.6 secs Computing kpt #: 2 total cpu time spent up to now is 1.8 secs Computing kpt #: 3 total cpu time spent up to now is 1.9 secs Computing kpt #: 4 total cpu time spent up to now is 2.0 secs Computing kpt #: 5 total cpu time spent up to now is 2.2 secs Computing kpt #: 6 total cpu time spent up to now is 2.3 secs Computing kpt #: 7 total cpu time spent up to now is 2.4 secs Computing kpt #: 8 total cpu time spent up to now is 2.5 secs Computing kpt #: 9 total cpu time spent up to now is 2.7 secs Computing kpt #: 10 total cpu time spent up to now is 2.8 secs Computing kpt #: 11 total cpu time spent up to now is 2.9 secs Computing kpt #: 12 total cpu time spent up to now is 3.0 secs Computing kpt #: 13 total cpu time spent up to now is 3.2 secs Computing kpt #: 14 total cpu time spent up to now is 3.3 secs Computing kpt #: 15 total cpu time spent up to now is 3.4 secs Computing kpt #: 16 total cpu time spent up to now is 3.6 secs Computing kpt #: 17 total cpu time spent up to now is 3.7 secs Computing kpt #: 18 total cpu time spent up to now is 3.8 secs Computing kpt #: 19 total cpu time spent up to now is 3.9 secs Computing kpt #: 20 total cpu time spent up to now is 4.1 secs Computing kpt #: 21 total cpu time spent up to now is 4.2 secs Computing kpt #: 22 total cpu time spent up to now is 4.3 secs Computing kpt #: 23 total cpu time spent up to now is 4.5 secs Computing kpt #: 24 total cpu time spent up to now is 4.6 secs Computing kpt #: 25 total cpu time spent up to now is 4.8 secs Computing kpt #: 26 total cpu time spent up to now is 4.9 secs Computing kpt #: 27 total cpu time spent up to now is 5.1 secs Computing kpt #: 28 total cpu time spent up to now is 5.2 secs Computing kpt #: 29 total cpu time spent up to now is 5.4 secs Computing kpt #: 30 total cpu time spent up to now is 5.5 secs Computing kpt #: 31 total cpu time spent up to now is 5.7 secs Computing kpt #: 32 total cpu time spent up to now is 5.8 secs Computing kpt #: 33 total cpu time spent up to now is 6.0 secs Computing kpt #: 34 total cpu time spent up to now is 6.2 secs Computing kpt #: 35 total cpu time spent up to now is 6.4 secs Computing kpt #: 36 total cpu time spent up to now is 6.5 secs Computing kpt #: 37 total cpu time spent up to now is 6.7 secs Computing kpt #: 38 total cpu time spent up to now is 6.8 secs Computing kpt #: 39 total cpu time spent up to now is 6.9 secs Computing kpt #: 40 total cpu time spent up to now is 7.1 secs Computing kpt #: 41 total cpu time spent up to now is 7.2 secs Computing kpt #: 42 total cpu time spent up to now is 7.4 secs Computing kpt #: 43 total cpu time spent up to now is 7.5 secs Computing kpt #: 44 total cpu time spent up to now is 7.7 secs Computing kpt #: 45 total cpu time spent up to now is 7.8 secs Computing kpt #: 46 total cpu time spent up to now is 7.9 secs Computing kpt #: 47 total cpu time spent up to now is 8.1 secs Computing kpt #: 48 total cpu time spent up to now is 8.2 secs Computing kpt #: 49 total cpu time spent up to now is 8.3 secs Computing kpt #: 50 total cpu time spent up to now is 8.5 secs Computing kpt #: 51 total cpu time spent up to now is 8.6 secs Computing kpt #: 52 total cpu time spent up to now is 8.7 secs Computing kpt #: 53 total cpu time spent up to now is 8.9 secs Computing kpt #: 54 total cpu time spent up to now is 9.0 secs Computing kpt #: 55 total cpu time spent up to now is 9.2 secs Computing kpt #: 56 total cpu time spent up to now is 9.3 secs Computing kpt #: 57 total cpu time spent up to now is 9.4 secs Computing kpt #: 58 total cpu time spent up to now is 9.6 secs Computing kpt #: 59 total cpu time spent up to now is 9.7 secs Computing kpt #: 60 total cpu time spent up to now is 9.9 secs Computing kpt #: 61 total cpu time spent up to now is 10.0 secs Computing kpt #: 62 total cpu time spent up to now is 10.2 secs Computing kpt #: 63 total cpu time spent up to now is 10.3 secs Computing kpt #: 64 total cpu time spent up to now is 10.5 secs Computing kpt #: 65 total cpu time spent up to now is 10.6 secs Computing kpt #: 66 total cpu time spent up to now is 10.8 secs Computing kpt #: 67 total cpu time spent up to now is 10.9 secs Computing kpt #: 68 total cpu time spent up to now is 11.1 secs Computing kpt #: 69 total cpu time spent up to now is 11.3 secs Computing kpt #: 70 total cpu time spent up to now is 11.5 secs Computing kpt #: 71 total cpu time spent up to now is 11.7 secs Computing kpt #: 72 total cpu time spent up to now is 11.9 secs Computing kpt #: 73 total cpu time spent up to now is 12.1 secs Computing kpt #: 74 total cpu time spent up to now is 12.3 secs Computing kpt #: 75 total cpu time spent up to now is 12.5 secs Computing kpt #: 76 total cpu time spent up to now is 12.6 secs Computing kpt #: 77 total cpu time spent up to now is 12.8 secs Computing kpt #: 78 total cpu time spent up to now is 13.0 secs Computing kpt #: 79 total cpu time spent up to now is 13.1 secs Computing kpt #: 80 total cpu time spent up to now is 13.3 secs Computing kpt #: 81 total cpu time spent up to now is 13.5 secs Computing kpt #: 82 total cpu time spent up to now is 13.6 secs Computing kpt #: 83 total cpu time spent up to now is 13.8 secs Computing kpt #: 84 total cpu time spent up to now is 14.0 secs Computing kpt #: 85 total cpu time spent up to now is 14.2 secs Computing kpt #: 86 total cpu time spent up to now is 14.4 secs Computing kpt #: 87 total cpu time spent up to now is 14.5 secs Computing kpt #: 88 total cpu time spent up to now is 14.7 secs Computing kpt #: 89 total cpu time spent up to now is 14.9 secs Computing kpt #: 90 total cpu time spent up to now is 15.1 secs Computing kpt #: 91 total cpu time spent up to now is 15.2 secs Computing kpt #: 92 total cpu time spent up to now is 15.4 secs Computing kpt #: 93 total cpu time spent up to now is 15.6 secs Computing kpt #: 94 total cpu time spent up to now is 15.7 secs Computing kpt #: 95 total cpu time spent up to now is 15.9 secs Computing kpt #: 96 total cpu time spent up to now is 16.0 secs Computing kpt #: 97 total cpu time spent up to now is 16.2 secs Computing kpt #: 98 total cpu time spent up to now is 16.4 secs Computing kpt #: 99 total cpu time spent up to now is 16.5 secs Computing kpt #: 100 total cpu time spent up to now is 16.7 secs Computing kpt #: 101 total cpu time spent up to now is 16.8 secs Computing kpt #: 102 total cpu time spent up to now is 17.0 secs Computing kpt #: 103 total cpu time spent up to now is 17.1 secs Computing kpt #: 104 total cpu time spent up to now is 17.3 secs Computing kpt #: 105 total cpu time spent up to now is 17.4 secs Computing kpt #: 106 total cpu time spent up to now is 17.6 secs Computing kpt #: 107 total cpu time spent up to now is 17.7 secs Computing kpt #: 108 total cpu time spent up to now is 17.9 secs Computing kpt #: 109 total cpu time spent up to now is 18.0 secs Computing kpt #: 110 total cpu time spent up to now is 18.2 secs Computing kpt #: 111 total cpu time spent up to now is 18.3 secs Computing kpt #: 112 total cpu time spent up to now is 18.4 secs Computing kpt #: 113 total cpu time spent up to now is 18.6 secs Computing kpt #: 114 total cpu time spent up to now is 18.7 secs Computing kpt #: 115 total cpu time spent up to now is 18.9 secs Computing kpt #: 116 total cpu time spent up to now is 19.0 secs Computing kpt #: 117 total cpu time spent up to now is 19.1 secs Computing kpt #: 118 total cpu time spent up to now is 19.3 secs Computing kpt #: 119 total cpu time spent up to now is 19.4 secs Computing kpt #: 120 total cpu time spent up to now is 19.6 secs Computing kpt #: 121 total cpu time spent up to now is 19.7 secs Computing kpt #: 122 total cpu time spent up to now is 19.8 secs Computing kpt #: 123 total cpu time spent up to now is 19.9 secs Computing kpt #: 124 total cpu time spent up to now is 20.1 secs Computing kpt #: 125 total cpu time spent up to now is 20.2 secs Computing kpt #: 126 total cpu time spent up to now is 20.3 secs Computing kpt #: 127 total cpu time spent up to now is 20.5 secs Computing kpt #: 128 total cpu time spent up to now is 20.6 secs Computing kpt #: 129 total cpu time spent up to now is 20.7 secs Computing kpt #: 130 total cpu time spent up to now is 20.8 secs Computing kpt #: 131 total cpu time spent up to now is 21.0 secs Computing kpt #: 132 total cpu time spent up to now is 21.1 secs Computing kpt #: 133 total cpu time spent up to now is 21.2 secs Computing kpt #: 134 total cpu time spent up to now is 21.3 secs Computing kpt #: 135 total cpu time spent up to now is 21.4 secs Computing kpt #: 136 total cpu time spent up to now is 21.6 secs Computing kpt #: 137 total cpu time spent up to now is 21.7 secs Computing kpt #: 138 total cpu time spent up to now is 21.8 secs Computing kpt #: 139 total cpu time spent up to now is 21.9 secs Computing kpt #: 140 total cpu time spent up to now is 22.0 secs Computing kpt #: 141 total cpu time spent up to now is 22.2 secs Computing kpt #: 142 total cpu time spent up to now is 22.3 secs Computing kpt #: 143 total cpu time spent up to now is 22.4 secs Computing kpt #: 144 total cpu time spent up to now is 22.5 secs Computing kpt #: 145 total cpu time spent up to now is 22.7 secs Computing kpt #: 146 total cpu time spent up to now is 22.8 secs Computing kpt #: 147 total cpu time spent up to now is 22.9 secs Computing kpt #: 148 total cpu time spent up to now is 23.0 secs Computing kpt #: 149 total cpu time spent up to now is 23.1 secs Computing kpt #: 150 total cpu time spent up to now is 23.3 secs Computing kpt #: 151 total cpu time spent up to now is 23.4 secs Computing kpt #: 152 total cpu time spent up to now is 23.5 secs Computing kpt #: 153 total cpu time spent up to now is 23.6 secs Computing kpt #: 154 total cpu time spent up to now is 23.7 secs Computing kpt #: 155 total cpu time spent up to now is 23.9 secs Computing kpt #: 156 total cpu time spent up to now is 24.0 secs Computing kpt #: 157 total cpu time spent up to now is 24.1 secs Computing kpt #: 158 total cpu time spent up to now is 24.2 secs Computing kpt #: 159 total cpu time spent up to now is 24.3 secs Computing kpt #: 160 total cpu time spent up to now is 24.4 secs Computing kpt #: 161 total cpu time spent up to now is 24.6 secs Computing kpt #: 162 total cpu time spent up to now is 24.7 secs Computing kpt #: 163 total cpu time spent up to now is 24.8 secs Computing kpt #: 164 total cpu time spent up to now is 24.9 secs Computing kpt #: 165 total cpu time spent up to now is 25.0 secs Computing kpt #: 166 total cpu time spent up to now is 25.2 secs Computing kpt #: 167 total cpu time spent up to now is 25.3 secs Computing kpt #: 168 total cpu time spent up to now is 25.4 secs Computing kpt #: 169 total cpu time spent up to now is 25.5 secs Computing kpt #: 170 total cpu time spent up to now is 25.7 secs Computing kpt #: 171 total cpu time spent up to now is 25.8 secs Computing kpt #: 172 total cpu time spent up to now is 25.9 secs Computing kpt #: 173 total cpu time spent up to now is 26.0 secs Computing kpt #: 174 total cpu time spent up to now is 26.2 secs Computing kpt #: 175 total cpu time spent up to now is 26.3 secs Computing kpt #: 176 total cpu time spent up to now is 26.4 secs Computing kpt #: 177 total cpu time spent up to now is 26.6 secs Computing kpt #: 178 total cpu time spent up to now is 26.7 secs Computing kpt #: 179 total cpu time spent up to now is 26.9 secs Computing kpt #: 180 total cpu time spent up to now is 27.0 secs Computing kpt #: 181 total cpu time spent up to now is 27.1 secs Computing kpt #: 182 total cpu time spent up to now is 27.3 secs Computing kpt #: 183 total cpu time spent up to now is 27.4 secs Computing kpt #: 184 total cpu time spent up to now is 27.6 secs Computing kpt #: 185 total cpu time spent up to now is 27.7 secs Computing kpt #: 186 total cpu time spent up to now is 27.9 secs Computing kpt #: 187 total cpu time spent up to now is 28.1 secs Computing kpt #: 188 total cpu time spent up to now is 28.2 secs Computing kpt #: 189 total cpu time spent up to now is 28.4 secs Computing kpt #: 190 total cpu time spent up to now is 28.5 secs Computing kpt #: 191 total cpu time spent up to now is 28.7 secs Computing kpt #: 192 total cpu time spent up to now is 28.8 secs Computing kpt #: 193 total cpu time spent up to now is 29.0 secs Computing kpt #: 194 total cpu time spent up to now is 29.2 secs Computing kpt #: 195 total cpu time spent up to now is 29.3 secs Computing kpt #: 196 total cpu time spent up to now is 29.5 secs Computing kpt #: 197 total cpu time spent up to now is 29.7 secs Computing kpt #: 198 total cpu time spent up to now is 29.9 secs Computing kpt #: 199 total cpu time spent up to now is 30.0 secs Computing kpt #: 200 total cpu time spent up to now is 30.2 secs Computing kpt #: 201 total cpu time spent up to now is 30.4 secs Computing kpt #: 202 total cpu time spent up to now is 30.6 secs Computing kpt #: 203 total cpu time spent up to now is 30.7 secs Computing kpt #: 204 total cpu time spent up to now is 30.9 secs Computing kpt #: 205 total cpu time spent up to now is 31.1 secs Computing kpt #: 206 total cpu time spent up to now is 31.2 secs Computing kpt #: 207 total cpu time spent up to now is 31.4 secs Computing kpt #: 208 total cpu time spent up to now is 31.5 secs Computing kpt #: 209 total cpu time spent up to now is 31.7 secs Computing kpt #: 210 total cpu time spent up to now is 31.8 secs Computing kpt #: 211 total cpu time spent up to now is 31.9 secs Computing kpt #: 212 total cpu time spent up to now is 32.1 secs Computing kpt #: 213 total cpu time spent up to now is 32.2 secs Computing kpt #: 214 total cpu time spent up to now is 32.4 secs Computing kpt #: 215 total cpu time spent up to now is 32.5 secs Computing kpt #: 216 total cpu time spent up to now is 32.7 secs Computing kpt #: 217 total cpu time spent up to now is 32.8 secs Computing kpt #: 218 total cpu time spent up to now is 33.0 secs Computing kpt #: 219 total cpu time spent up to now is 33.1 secs Computing kpt #: 220 total cpu time spent up to now is 33.3 secs Computing kpt #: 221 total cpu time spent up to now is 33.4 secs Computing kpt #: 222 total cpu time spent up to now is 33.6 secs Computing kpt #: 223 total cpu time spent up to now is 33.7 secs Computing kpt #: 224 total cpu time spent up to now is 33.9 secs Computing kpt #: 225 total cpu time spent up to now is 34.0 secs Computing kpt #: 226 total cpu time spent up to now is 34.2 secs Computing kpt #: 227 total cpu time spent up to now is 34.3 secs Computing kpt #: 228 total cpu time spent up to now is 34.5 secs Computing kpt #: 229 total cpu time spent up to now is 34.6 secs Computing kpt #: 230 total cpu time spent up to now is 34.7 secs Computing kpt #: 231 total cpu time spent up to now is 34.9 secs Computing kpt #: 232 total cpu time spent up to now is 35.0 secs Computing kpt #: 233 total cpu time spent up to now is 35.2 secs Computing kpt #: 234 total cpu time spent up to now is 35.3 secs Computing kpt #: 235 total cpu time spent up to now is 35.4 secs Computing kpt #: 236 total cpu time spent up to now is 35.6 secs Computing kpt #: 237 total cpu time spent up to now is 35.7 secs Computing kpt #: 238 total cpu time spent up to now is 35.9 secs Computing kpt #: 239 total cpu time spent up to now is 36.0 secs Computing kpt #: 240 total cpu time spent up to now is 36.2 secs Computing kpt #: 241 total cpu time spent up to now is 36.3 secs Computing kpt #: 242 total cpu time spent up to now is 36.5 secs Computing kpt #: 243 total cpu time spent up to now is 36.6 secs Computing kpt #: 244 total cpu time spent up to now is 36.7 secs Computing kpt #: 245 total cpu time spent up to now is 36.9 secs Computing kpt #: 246 total cpu time spent up to now is 37.0 secs Computing kpt #: 247 total cpu time spent up to now is 37.2 secs Computing kpt #: 248 total cpu time spent up to now is 37.3 secs Computing kpt #: 249 total cpu time spent up to now is 37.5 secs Computing kpt #: 250 total cpu time spent up to now is 37.6 secs Computing kpt #: 251 total cpu time spent up to now is 37.7 secs Computing kpt #: 252 total cpu time spent up to now is 37.9 secs Computing kpt #: 253 total cpu time spent up to now is 38.0 secs Computing kpt #: 254 total cpu time spent up to now is 38.2 secs Computing kpt #: 255 total cpu time spent up to now is 38.3 secs Computing kpt #: 256 total cpu time spent up to now is 38.5 secs Computing kpt #: 257 total cpu time spent up to now is 38.6 secs Computing kpt #: 258 total cpu time spent up to now is 38.8 secs Computing kpt #: 259 total cpu time spent up to now is 38.9 secs Computing kpt #: 260 total cpu time spent up to now is 39.1 secs Computing kpt #: 261 total cpu time spent up to now is 39.2 secs Computing kpt #: 262 total cpu time spent up to now is 39.4 secs Computing kpt #: 263 total cpu time spent up to now is 39.5 secs Computing kpt #: 264 total cpu time spent up to now is 39.7 secs Computing kpt #: 265 total cpu time spent up to now is 39.9 secs Computing kpt #: 266 total cpu time spent up to now is 40.0 secs Computing kpt #: 267 total cpu time spent up to now is 40.2 secs Computing kpt #: 268 total cpu time spent up to now is 40.3 secs Computing kpt #: 269 total cpu time spent up to now is 40.5 secs Computing kpt #: 270 total cpu time spent up to now is 40.6 secs Computing kpt #: 271 total cpu time spent up to now is 40.8 secs Computing kpt #: 272 total cpu time spent up to now is 40.9 secs Computing kpt #: 273 total cpu time spent up to now is 41.1 secs Computing kpt #: 274 total cpu time spent up to now is 41.2 secs Computing kpt #: 275 total cpu time spent up to now is 41.4 secs Computing kpt #: 276 total cpu time spent up to now is 41.5 secs Computing kpt #: 277 total cpu time spent up to now is 41.7 secs Computing kpt #: 278 total cpu time spent up to now is 41.8 secs Computing kpt #: 279 total cpu time spent up to now is 41.9 secs Computing kpt #: 280 total cpu time spent up to now is 42.1 secs Computing kpt #: 281 total cpu time spent up to now is 42.2 secs Computing kpt #: 282 total cpu time spent up to now is 42.3 secs Computing kpt #: 283 total cpu time spent up to now is 42.5 secs Computing kpt #: 284 total cpu time spent up to now is 42.6 secs Computing kpt #: 285 total cpu time spent up to now is 42.7 secs Computing kpt #: 286 total cpu time spent up to now is 42.9 secs Computing kpt #: 287 total cpu time spent up to now is 43.0 secs Computing kpt #: 288 total cpu time spent up to now is 43.1 secs Computing kpt #: 289 total cpu time spent up to now is 43.2 secs Computing kpt #: 290 total cpu time spent up to now is 43.3 secs Computing kpt #: 291 total cpu time spent up to now is 43.5 secs Computing kpt #: 292 total cpu time spent up to now is 43.6 secs Computing kpt #: 293 total cpu time spent up to now is 43.7 secs Computing kpt #: 294 total cpu time spent up to now is 43.8 secs Computing kpt #: 295 total cpu time spent up to now is 43.9 secs Computing kpt #: 296 total cpu time spent up to now is 44.1 secs Computing kpt #: 297 total cpu time spent up to now is 44.2 secs Computing kpt #: 298 total cpu time spent up to now is 44.4 secs Computing kpt #: 299 total cpu time spent up to now is 44.5 secs Computing kpt #: 300 total cpu time spent up to now is 44.7 secs Computing kpt #: 301 total cpu time spent up to now is 44.8 secs Computing kpt #: 302 total cpu time spent up to now is 45.0 secs Computing kpt #: 303 total cpu time spent up to now is 45.2 secs Computing kpt #: 304 total cpu time spent up to now is 45.3 secs Computing kpt #: 305 total cpu time spent up to now is 45.5 secs Computing kpt #: 306 total cpu time spent up to now is 45.6 secs Computing kpt #: 307 total cpu time spent up to now is 45.8 secs Computing kpt #: 308 total cpu time spent up to now is 46.0 secs Computing kpt #: 309 total cpu time spent up to now is 46.1 secs Computing kpt #: 310 total cpu time spent up to now is 46.3 secs Computing kpt #: 311 total cpu time spent up to now is 46.4 secs Computing kpt #: 312 total cpu time spent up to now is 46.6 secs Computing kpt #: 313 total cpu time spent up to now is 46.7 secs Computing kpt #: 314 total cpu time spent up to now is 46.9 secs Computing kpt #: 315 total cpu time spent up to now is 47.0 secs Computing kpt #: 316 total cpu time spent up to now is 47.2 secs Computing kpt #: 317 total cpu time spent up to now is 47.3 secs Computing kpt #: 318 total cpu time spent up to now is 47.5 secs Computing kpt #: 319 total cpu time spent up to now is 47.6 secs Computing kpt #: 320 total cpu time spent up to now is 47.7 secs Computing kpt #: 321 total cpu time spent up to now is 47.9 secs Computing kpt #: 322 total cpu time spent up to now is 48.0 secs Computing kpt #: 323 total cpu time spent up to now is 48.2 secs Computing kpt #: 324 total cpu time spent up to now is 48.3 secs Computing kpt #: 325 total cpu time spent up to now is 48.5 secs Computing kpt #: 326 total cpu time spent up to now is 48.7 secs Computing kpt #: 327 total cpu time spent up to now is 48.8 secs Computing kpt #: 328 total cpu time spent up to now is 49.0 secs Computing kpt #: 329 total cpu time spent up to now is 49.2 secs Computing kpt #: 330 total cpu time spent up to now is 49.3 secs Computing kpt #: 331 total cpu time spent up to now is 49.5 secs Computing kpt #: 332 total cpu time spent up to now is 49.6 secs Computing kpt #: 333 total cpu time spent up to now is 49.8 secs Computing kpt #: 334 total cpu time spent up to now is 50.0 secs Computing kpt #: 335 total cpu time spent up to now is 50.1 secs Computing kpt #: 336 total cpu time spent up to now is 50.3 secs Computing kpt #: 337 total cpu time spent up to now is 50.4 secs Computing kpt #: 338 total cpu time spent up to now is 50.6 secs Computing kpt #: 339 total cpu time spent up to now is 50.7 secs Computing kpt #: 340 total cpu time spent up to now is 50.9 secs Computing kpt #: 341 total cpu time spent up to now is 51.0 secs Computing kpt #: 342 total cpu time spent up to now is 51.1 secs Computing kpt #: 343 total cpu time spent up to now is 51.3 secs Computing kpt #: 344 total cpu time spent up to now is 51.4 secs Computing kpt #: 345 total cpu time spent up to now is 51.6 secs Computing kpt #: 346 total cpu time spent up to now is 51.7 secs Computing kpt #: 347 total cpu time spent up to now is 51.9 secs Computing kpt #: 348 total cpu time spent up to now is 52.0 secs Computing kpt #: 349 total cpu time spent up to now is 52.1 secs ethr = 3.85E-08, avg # of iterations = 14.8 total cpu time spent up to now is 52.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2875 PWs) bands (ev): -15.1609 -15.1609 -15.1423 -15.1423 -14.1430 -14.1430 -14.1135 -14.1135 -14.1036 -14.1036 -7.3050 -7.3050 -5.5370 -5.5370 0.6008 0.6008 5.7549 5.7549 6.1522 6.1522 6.1717 6.1717 6.4250 6.4250 6.7265 6.7265 7.7923 7.7923 9.6163 9.6163 11.1302 11.1302 11.5528 11.5528 k = 0.0104 0.0060-0.0000 ( 2879 PWs) bands (ev): -15.1609 -15.1609 -15.1423 -15.1423 -14.1430 -14.1430 -14.1136 -14.1136 -14.1035 -14.1035 -7.3039 -7.3039 -5.5363 -5.5363 0.6011 0.6011 5.7452 5.7452 6.1043 6.1043 6.2057 6.2057 6.4215 6.4215 6.7275 6.7275 7.8065 7.8065 9.6248 9.6248 11.1295 11.1295 11.5511 11.5511 k = 0.0208 0.0120-0.0000 ( 2883 PWs) bands (ev): -15.1609 -15.1609 -15.1424 -15.1424 -14.1430 -14.1430 -14.1137 -14.1137 -14.1035 -14.1035 -7.3006 -7.3006 -5.5340 -5.5340 0.6019 0.6019 5.7158 5.7158 6.0362 6.0362 6.2329 6.2329 6.4124 6.4124 6.7304 6.7304 7.8476 7.8476 9.6500 9.6500 11.1269 11.1269 11.5466 11.5466 k = 0.0312 0.0180-0.0000 ( 2887 PWs) bands (ev): -15.1608 -15.1608 -15.1424 -15.1424 -14.1430 -14.1430 -14.1138 -14.1138 -14.1034 -14.1034 -7.2952 -7.2952 -5.5304 -5.5304 0.6033 0.6033 5.6654 5.6654 5.9605 5.9605 6.2418 6.2418 6.4030 6.4030 6.7343 6.7343 7.9120 7.9120 9.6908 9.6908 11.1219 11.1219 11.5406 11.5406 k = 0.0417 0.0241-0.0000 ( 2891 PWs) bands (ev): -15.1608 -15.1608 -15.1424 -15.1424 -14.1429 -14.1429 -14.1140 -14.1140 -14.1033 -14.1033 -7.2875 -7.2875 -5.5252 -5.5252 0.6052 0.6052 5.5928 5.5928 5.8835 5.8835 6.2265 6.2265 6.4011 6.4011 6.7385 6.7385 7.9946 7.9946 9.7454 9.7454 11.1136 11.1136 11.5355 11.5355 k = 0.0521 0.0301-0.0000 ( 2891 PWs) bands (ev): -15.1607 -15.1607 -15.1425 -15.1425 -14.1428 -14.1428 -14.1142 -14.1142 -14.1032 -14.1032 -7.2777 -7.2777 -5.5187 -5.5187 0.6075 0.6075 5.4983 5.4983 5.8097 5.8097 6.1870 6.1870 6.4089 6.4089 6.7425 6.7425 8.0903 8.0903 9.8116 9.8116 11.1014 11.1014 11.5336 11.5336 k = 0.0625 0.0361-0.0000 ( 2889 PWs) bands (ev): -15.1606 -15.1606 -15.1426 -15.1426 -14.1427 -14.1427 -14.1145 -14.1145 -14.1030 -14.1030 -7.2657 -7.2657 -5.5107 -5.5107 0.6102 0.6102 5.3853 5.3853 5.7398 5.7398 6.1293 6.1293 6.4222 6.4222 6.7458 6.7458 8.1948 8.1948 9.8865 9.8865 11.0856 11.0856 11.5371 11.5371 k = 0.0729 0.0421-0.0000 ( 2893 PWs) bands (ev): -15.1605 -15.1605 -15.1427 -15.1427 -14.1426 -14.1426 -14.1148 -14.1148 -14.1029 -14.1029 -7.2515 -7.2515 -5.5013 -5.5013 0.6132 0.6132 5.2587 5.2587 5.6724 5.6724 6.0591 6.0591 6.4371 6.4371 6.7484 6.7484 8.3039 8.3039 9.9666 9.9666 11.0681 11.0681 11.5472 11.5472 k = 0.0833 0.0481-0.0000 ( 2891 PWs) bands (ev): -15.1604 -15.1604 -15.1428 -15.1428 -14.1425 -14.1425 -14.1152 -14.1152 -14.1026 -14.1026 -7.2352 -7.2352 -5.4907 -5.4907 0.6162 0.6162 5.1230 5.1230 5.6059 5.6059 5.9803 5.9803 6.4516 6.4516 6.7502 6.7502 8.4144 8.4144 10.0477 10.0477 11.0525 11.0525 11.5642 11.5642 k = 0.0938 0.0541-0.0000 ( 2895 PWs) bands (ev): -15.1603 -15.1603 -15.1429 -15.1429 -14.1423 -14.1423 -14.1156 -14.1156 -14.1024 -14.1024 -7.2168 -7.2168 -5.4787 -5.4787 0.6193 0.6193 4.9815 4.9815 5.5389 5.5389 5.8954 5.8954 6.4645 6.4645 6.7512 6.7512 8.5233 8.5233 10.1246 10.1246 11.0444 11.0444 11.5878 11.5878 k = 0.1042 0.0601-0.0000 ( 2895 PWs) bands (ev): -15.1602 -15.1602 -15.1430 -15.1430 -14.1422 -14.1422 -14.1160 -14.1160 -14.1021 -14.1021 -7.1962 -7.1962 -5.4655 -5.4655 0.6222 0.6222 4.8367 4.8367 5.4708 5.4708 5.8063 5.8063 6.4754 6.4754 6.7512 6.7512 8.6277 8.6277 10.1919 10.1919 11.0504 11.0504 11.6172 11.6172 k = 0.1146 0.0662-0.0000 ( 2897 PWs) bands (ev): -15.1601 -15.1601 -15.1431 -15.1431 -14.1421 -14.1421 -14.1164 -14.1164 -14.1018 -14.1018 -7.1736 -7.1736 -5.4511 -5.4511 0.6247 0.6247 4.6903 4.6903 5.4010 5.4010 5.7148 5.7148 6.4840 6.4840 6.7504 6.7504 8.7250 8.7250 10.2447 10.2447 11.0764 11.0764 11.6515 11.6515 k = 0.1250 0.0722-0.0000 ( 2898 PWs) bands (ev): -15.1600 -15.1600 -15.1432 -15.1432 -14.1421 -14.1421 -14.1169 -14.1169 -14.1015 -14.1015 -7.1489 -7.1489 -5.4357 -5.4357 0.6265 0.6265 4.5437 4.5437 5.3290 5.3290 5.6223 5.6223 6.4902 6.4902 6.7486 6.7486 8.8123 8.8123 10.2813 10.2813 11.1258 11.1258 11.6899 11.6899 k = 0.1354 0.0782-0.0000 ( 2900 PWs) bands (ev): -15.1598 -15.1598 -15.1433 -15.1433 -14.1420 -14.1420 -14.1173 -14.1173 -14.1011 -14.1011 -7.1222 -7.1222 -5.4192 -5.4192 0.6275 0.6275 4.3980 4.3980 5.2543 5.2543 5.5305 5.5305 6.4939 6.4939 6.7457 6.7457 8.8866 8.8866 10.3045 10.3045 11.1975 11.1975 11.7316 11.7316 k = 0.1458 0.0842-0.0000 ( 2898 PWs) bands (ev): -15.1597 -15.1597 -15.1434 -15.1434 -14.1420 -14.1420 -14.1177 -14.1177 -14.1007 -14.1007 -7.0934 -7.0934 -5.4017 -5.4017 0.6274 0.6274 4.2542 4.2542 5.1766 5.1766 5.4405 5.4405 6.4952 6.4952 6.7416 6.7416 8.9453 8.9453 10.3201 10.3201 11.2867 11.2867 11.7762 11.7762 k = 0.1562 0.0902-0.0000 ( 2902 PWs) bands (ev): -15.1596 -15.1596 -15.1436 -15.1436 -14.1421 -14.1421 -14.1182 -14.1182 -14.1002 -14.1002 -7.0627 -7.0627 -5.3834 -5.3834 0.6258 0.6258 4.1130 4.1130 5.0955 5.0955 5.3535 5.3535 6.4942 6.4942 6.7363 6.7363 8.9860 8.9860 10.3346 10.3346 11.3877 11.3877 11.8232 11.8232 k = 0.1667 0.0962-0.0000 ( 2908 PWs) bands (ev): -15.1595 -15.1595 -15.1437 -15.1437 -14.1421 -14.1421 -14.1186 -14.1186 -14.0997 -14.0997 -7.0300 -7.0300 -5.3643 -5.3643 0.6223 0.6223 3.9753 3.9753 5.0109 5.0109 5.2703 5.2703 6.4907 6.4907 6.7297 6.7297 9.0075 9.0075 10.3530 10.3530 11.4948 11.4948 11.8726 11.8726 k = 0.1771 0.1022-0.0000 ( 2908 PWs) bands (ev): -15.1594 -15.1594 -15.1438 -15.1438 -14.1423 -14.1423 -14.1189 -14.1189 -14.0992 -14.0992 -6.9954 -6.9954 -5.3445 -5.3445 0.6166 0.6166 3.8418 3.8418 4.9233 4.9233 5.1913 5.1913 6.4850 6.4850 6.7217 6.7217 9.0100 9.0100 10.3777 10.3777 11.6029 11.6029 11.9250 11.9250 k = 0.1875 0.1083-0.0000 ( 2916 PWs) bands (ev): -15.1593 -15.1593 -15.1439 -15.1439 -14.1425 -14.1425 -14.1193 -14.1193 -14.0987 -14.0987 -6.9590 -6.9590 -5.3242 -5.3242 0.6084 0.6084 3.7130 3.7130 4.8332 4.8332 5.1163 5.1163 6.4770 6.4770 6.7123 6.7123 8.9950 8.9950 10.4088 10.4088 11.7069 11.7069 11.9817 11.9817 k = 0.1979 0.1143-0.0000 ( 2908 PWs) bands (ev): -15.1593 -15.1593 -15.1440 -15.1440 -14.1428 -14.1428 -14.1196 -14.1196 -14.0981 -14.0981 -6.9207 -6.9207 -5.3035 -5.3035 0.5971 0.5971 3.5896 3.5896 4.7418 4.7418 5.0450 5.0450 6.4667 6.4667 6.7016 6.7016 8.9651 8.9651 10.4449 10.4449 11.8015 11.8015 12.0449 12.0449 k = 0.2083 0.1203-0.0000 ( 2910 PWs) bands (ev): -15.1592 -15.1592 -15.1441 -15.1441 -14.1431 -14.1431 -14.1198 -14.1198 -14.0975 -14.0975 -6.8807 -6.8807 -5.2824 -5.2824 0.5824 0.5824 3.4722 3.4722 4.6498 4.6498 4.9771 4.9771 6.4540 6.4540 6.6895 6.6895 8.9231 8.9231 10.4837 10.4837 11.8821 11.8821 12.1168 12.1168 k = 0.2188 0.1263-0.0000 ( 2910 PWs) bands (ev): -15.1592 -15.1592 -15.1442 -15.1442 -14.1435 -14.1435 -14.1200 -14.1200 -14.0968 -14.0968 -6.8390 -6.8390 -5.2612 -5.2612 0.5638 0.5638 3.3612 3.3612 4.5584 4.5584 4.9122 4.9122 6.4389 6.4389 6.6763 6.6763 8.8721 8.8721 10.5228 10.5228 11.9474 11.9474 12.1966 12.1966 k = 0.2292 0.1323-0.0000 ( 2914 PWs) bands (ev): -15.1592 -15.1592 -15.1442 -15.1442 -14.1440 -14.1440 -14.1202 -14.1202 -14.0962 -14.0962 -6.7956 -6.7956 -5.2400 -5.2400 0.5412 0.5412 3.2571 3.2571 4.4683 4.4683 4.8499 4.8499 6.4213 6.4213 6.6619 6.6619 8.8147 8.8147 10.5600 10.5600 11.9994 11.9994 12.2800 12.2800 k = 0.2396 0.1383-0.0000 ( 2918 PWs) bands (ev): -15.1592 -15.1592 -15.1442 -15.1442 -14.1445 -14.1445 -14.1203 -14.1203 -14.0955 -14.0955 -6.7507 -6.7507 -5.2188 -5.2188 0.5141 0.5141 3.1600 3.1600 4.3803 4.3803 4.7901 4.7901 6.4009 6.4009 6.6467 6.6467 8.7530 8.7530 10.5936 10.5936 12.0415 12.0415 12.3617 12.3617 k = 0.2500 0.1443-0.0000 ( 2924 PWs) bands (ev): -15.1593 -15.1593 -15.1443 -15.1443 -14.1451 -14.1451 -14.1204 -14.1204 -14.0948 -14.0948 -6.7043 -6.7043 -5.1980 -5.1980 0.4824 0.4824 3.0703 3.0703 4.2951 4.2951 4.7326 4.7326 6.3777 6.3777 6.6307 6.6307 8.6889 8.6889 10.6223 10.6223 12.0761 12.0761 12.4370 12.4370 k = 0.2604 0.1504-0.0000 ( 2926 PWs) bands (ev): -15.1594 -15.1594 -15.1443 -15.1443 -14.1458 -14.1458 -14.1204 -14.1204 -14.0941 -14.0941 -6.6565 -6.6565 -5.1776 -5.1776 0.4460 0.4460 2.9878 2.9878 4.2133 4.2133 4.6774 4.6774 6.3515 6.3515 6.6143 6.6143 8.6238 8.6238 10.6454 10.6454 12.1047 12.1047 12.5015 12.5015 k = 0.2708 0.1564-0.0000 ( 2930 PWs) bands (ev): -15.1595 -15.1595 -15.1443 -15.1443 -14.1464 -14.1464 -14.1204 -14.1204 -14.0933 -14.0933 -6.6075 -6.6075 -5.1578 -5.1578 0.4051 0.4051 2.9124 2.9124 4.1356 4.1356 4.6244 4.6244 6.3222 6.3222 6.5976 6.5976 8.5588 8.5588 10.6626 10.6626 12.1282 12.1282 12.5507 12.5507 k = 0.2812 0.1624-0.0000 ( 2930 PWs) bands (ev): -15.1596 -15.1596 -15.1442 -15.1442 -14.1472 -14.1472 -14.1204 -14.1204 -14.0926 -14.0926 -6.5572 -6.5572 -5.1388 -5.1388 0.3598 0.3598 2.8438 2.8438 4.0625 4.0625 4.5735 4.5735 6.2895 6.2895 6.5809 6.5809 8.4950 8.4950 10.6739 10.6739 12.1474 12.1474 12.5807 12.5807 k = 0.2917 0.1684-0.0000 ( 2932 PWs) bands (ev): -15.1597 -15.1597 -15.1442 -15.1442 -14.1479 -14.1479 -14.1203 -14.1203 -14.0918 -14.0918 -6.5059 -6.5059 -5.1208 -5.1208 0.3106 0.3106 2.7814 2.7814 3.9945 3.9945 4.5249 4.5249 6.2537 6.2537 6.5643 6.5643 8.4329 8.4329 10.6795 10.6795 12.1626 12.1626 12.5901 12.5901 k = 0.3021 0.1744-0.0000 ( 2924 PWs) bands (ev): -15.1599 -15.1599 -15.1441 -15.1441 -14.1486 -14.1486 -14.1202 -14.1202 -14.0911 -14.0911 -6.4537 -6.4537 -5.1040 -5.1040 0.2578 0.2578 2.7247 2.7247 3.9323 3.9323 4.4785 4.4785 6.2145 6.2145 6.5482 6.5482 8.3732 8.3732 10.6800 10.6800 12.1743 12.1743 12.5811 12.5811 k = 0.3125 0.1804-0.0000 ( 2920 PWs) bands (ev): -15.1600 -15.1600 -15.1441 -15.1441 -14.1494 -14.1494 -14.1201 -14.1201 -14.0903 -14.0903 -6.4007 -6.4007 -5.0885 -5.0885 0.2022 0.2022 2.6729 2.6729 3.8762 3.8762 4.4344 4.4344 6.1723 6.1723 6.5324 6.5324 8.3163 8.3163 10.6760 10.6760 12.1830 12.1830 12.5585 12.5585 k = 0.3229 0.1864-0.0000 ( 2912 PWs) bands (ev): -15.1602 -15.1602 -15.1440 -15.1440 -14.1502 -14.1502 -14.1200 -14.1200 -14.0896 -14.0896 -6.3470 -6.3470 -5.0745 -5.0745 0.1445 0.1445 2.6253 2.6253 3.8265 3.8265 4.3927 4.3927 6.1273 6.1273 6.5173 6.5173 8.2625 8.2625 10.6681 10.6681 12.1890 12.1890 12.5272 12.5272 k = 0.3333 0.1925-0.0000 ( 2914 PWs) bands (ev): -15.1604 -15.1604 -15.1439 -15.1439 -14.1509 -14.1509 -14.1199 -14.1199 -14.0888 -14.0888 -6.2929 -6.2929 -5.0623 -5.0623 0.0853 0.0853 2.5811 2.5811 3.7836 3.7836 4.3533 4.3533 6.0797 6.0797 6.5028 6.5028 8.2119 8.2119 10.6572 10.6572 12.1927 12.1927 12.4912 12.4912 k = 0.3438 0.1985-0.0000 ( 2918 PWs) bands (ev): -15.1606 -15.1606 -15.1438 -15.1438 -14.1516 -14.1516 -14.1198 -14.1198 -14.0881 -14.0881 -6.2385 -6.2385 -5.0519 -5.0519 0.0254 0.0254 2.5398 2.5398 3.7476 3.7476 4.3163 4.3163 6.0299 6.0299 6.4890 6.4890 8.1649 8.1649 10.6438 10.6438 12.1944 12.1944 12.4531 12.4531 k = 0.3542 0.2045-0.0000 ( 2916 PWs) bands (ev): -15.1608 -15.1608 -15.1437 -15.1437 -14.1524 -14.1524 -14.1196 -14.1196 -14.0874 -14.0874 -6.1841 -6.1841 -5.0435 -5.0435 -0.0343 -0.0343 2.5007 2.5007 3.7184 3.7184 4.2818 4.2818 5.9784 5.9784 6.4759 6.4759 8.1213 8.1213 10.6286 10.6286 12.1944 12.1944 12.4148 12.4148 k = 0.3646 0.2105-0.0000 ( 2928 PWs) bands (ev): -15.1610 -15.1610 -15.1436 -15.1436 -14.1530 -14.1530 -14.1195 -14.1195 -14.0868 -14.0868 -6.1299 -6.1299 -5.0372 -5.0372 -0.0932 -0.0932 2.4636 2.4636 3.6957 3.6957 4.2499 4.2499 5.9258 5.9258 6.4636 6.4636 8.0813 8.0813 10.6123 10.6123 12.1932 12.1932 12.3774 12.3774 k = 0.3750 0.2165-0.0000 ( 2926 PWs) bands (ev): -15.1612 -15.1612 -15.1435 -15.1435 -14.1537 -14.1537 -14.1194 -14.1194 -14.0861 -14.0861 -6.0762 -6.0762 -5.0332 -5.0332 -0.1506 -0.1506 2.4283 2.4283 3.6793 3.6793 4.2205 4.2205 5.8725 5.8725 6.4521 6.4521 8.0447 8.0447 10.5953 10.5953 12.1909 12.1909 12.3417 12.3417 k = 0.3854 0.2225-0.0000 ( 2930 PWs) bands (ev): -15.1614 -15.1614 -15.1434 -15.1434 -14.1543 -14.1543 -14.1193 -14.1193 -14.0855 -14.0855 -6.0233 -6.0233 -5.0314 -5.0314 -0.2057 -0.2057 2.3945 2.3945 3.6685 3.6685 4.1939 4.1939 5.8193 5.8193 6.4414 6.4414 8.0116 8.0116 10.5781 10.5781 12.1878 12.1878 12.3081 12.3081 k = 0.3958 0.2285-0.0000 ( 2924 PWs) bands (ev): -15.1616 -15.1616 -15.1434 -15.1434 -14.1549 -14.1549 -14.1192 -14.1192 -14.0850 -14.0850 -5.9715 -5.9715 -5.0319 -5.0319 -0.2580 -0.2580 2.3626 2.3626 3.6627 3.6627 4.1699 4.1699 5.7669 5.7669 6.4315 6.4315 7.9818 7.9818 10.5613 10.5613 12.1842 12.1842 12.2770 12.2770 k = 0.4062 0.2345-0.0000 ( 2928 PWs) bands (ev): -15.1618 -15.1618 -15.1433 -15.1433 -14.1554 -14.1554 -14.1191 -14.1191 -14.0844 -14.0844 -5.9213 -5.9213 -5.0346 -5.0346 -0.3069 -0.3069 2.3325 2.3325 3.6610 3.6610 4.1487 4.1487 5.7158 5.7158 6.4225 6.4225 7.9552 7.9552 10.5450 10.5450 12.1802 12.1802 12.2486 12.2486 k = 0.4167 0.2406-0.0000 ( 2936 PWs) bands (ev): -15.1619 -15.1619 -15.1432 -15.1432 -14.1559 -14.1559 -14.1190 -14.1190 -14.0840 -14.0840 -5.8732 -5.8732 -5.0393 -5.0393 -0.3520 -0.3520 2.3045 2.3045 3.6626 3.6626 4.1302 4.1302 5.6670 5.6670 6.4144 6.4144 7.9318 7.9318 10.5297 10.5297 12.1760 12.1760 12.2232 12.2232 k = 0.4271 0.2466-0.0000 ( 2936 PWs) bands (ev): -15.1621 -15.1621 -15.1431 -15.1431 -14.1564 -14.1564 -14.1189 -14.1189 -14.0835 -14.0835 -5.8276 -5.8276 -5.0458 -5.0458 -0.3927 -0.3927 2.2790 2.2790 3.6666 3.6666 4.1145 4.1145 5.6212 5.6212 6.4072 6.4072 7.9114 7.9114 10.5156 10.5156 12.1714 12.1714 12.2012 12.2012 k = 0.4375 0.2526-0.0000 ( 2948 PWs) bands (ev): -15.1622 -15.1622 -15.1430 -15.1430 -14.1568 -14.1568 -14.1188 -14.1188 -14.0832 -14.0832 -5.7852 -5.7852 -5.0537 -5.0537 -0.4288 -0.4288 2.2561 2.2561 3.6721 3.6721 4.1015 4.1015 5.5792 5.5792 6.4009 6.4009 7.8939 7.8939 10.5030 10.5030 12.1658 12.1658 12.1834 12.1834 k = 0.4479 0.2586-0.0000 ( 2948 PWs) bands (ev): -15.1623 -15.1623 -15.1430 -15.1430 -14.1571 -14.1571 -14.1187 -14.1187 -14.0828 -14.0828 -5.7469 -5.7469 -5.0624 -5.0624 -0.4598 -0.4598 2.2363 2.2363 3.6782 3.6782 4.0911 4.0911 5.5418 5.5418 6.3956 6.3956 7.8793 7.8793 10.4920 10.4920 12.1570 12.1570 12.1721 12.1721 k = 0.4583 0.2646-0.0000 ( 2940 PWs) bands (ev): -15.1624 -15.1624 -15.1429 -15.1429 -14.1574 -14.1574 -14.1187 -14.1187 -14.0826 -14.0826 -5.7134 -5.7134 -5.0714 -5.0714 -0.4856 -0.4856 2.2197 2.2197 3.6843 3.6843 4.0830 4.0830 5.5098 5.5098 6.3912 6.3912 7.8674 7.8674 10.4828 10.4828 12.1458 12.1458 12.1667 12.1667 k = 0.4688 0.2706-0.0000 ( 2950 PWs) bands (ev): -15.1625 -15.1625 -15.1429 -15.1429 -14.1576 -14.1576 -14.1186 -14.1186 -14.0824 -14.0824 -5.6858 -5.6858 -5.0797 -5.0797 -0.5058 -0.5058 2.2065 2.2065 3.6896 3.6896 4.0772 4.0772 5.4841 5.4841 6.3877 6.3877 7.8583 7.8583 10.4755 10.4755 12.1360 12.1360 12.1636 12.1636 k = 0.4792 0.2766-0.0000 ( 2942 PWs) bands (ev): -15.1625 -15.1625 -15.1429 -15.1429 -14.1577 -14.1577 -14.1186 -14.1186 -14.0822 -14.0822 -5.6651 -5.6651 -5.0866 -5.0866 -0.5204 -0.5204 2.1970 2.1970 3.6937 3.6937 4.0732 4.0732 5.4652 5.4652 6.3853 6.3853 7.8518 7.8518 10.4703 10.4703 12.1287 12.1287 12.1615 12.1615 k = 0.4896 0.2827-0.0000 ( 2948 PWs) bands (ev): -15.1626 -15.1626 -15.1429 -15.1429 -14.1578 -14.1578 -14.1186 -14.1186 -14.0821 -14.0821 -5.6522 -5.6522 -5.0911 -5.0911 -0.5292 -0.5292 2.1912 2.1912 3.6963 3.6963 4.0710 4.0710 5.4536 5.4536 6.3838 6.3838 7.8479 7.8479 10.4671 10.4671 12.1242 12.1242 12.1604 12.1604 k = 0.5000 0.2887-0.0000 ( 2942 PWs) bands (ev): -15.1626 -15.1626 -15.1428 -15.1428 -14.1578 -14.1578 -14.1186 -14.1186 -14.0821 -14.0821 -5.6479 -5.6479 -5.0927 -5.0927 -0.5321 -0.5321 2.1892 2.1892 3.6972 3.6972 4.0703 4.0703 5.4497 5.4497 6.3833 6.3833 7.8466 7.8466 10.4660 10.4660 12.1228 12.1228 12.1600 12.1600 k = 0.5000 0.2887-0.0000 ( 2942 PWs) bands (ev): -15.1626 -15.1626 -15.1428 -15.1428 -14.1578 -14.1578 -14.1186 -14.1186 -14.0821 -14.0821 -5.6479 -5.6479 -5.0927 -5.0927 -0.5321 -0.5321 2.1892 2.1892 3.6972 3.6972 4.0703 4.0703 5.4497 5.4497 6.3833 6.3833 7.8466 7.8466 10.4660 10.4660 12.1228 12.1228 12.1600 12.1600 k = 0.4940 0.2990-0.0000 ( 2940 PWs) bands (ev): -15.1626 -15.1626 -15.1429 -15.1429 -14.1578 -14.1578 -14.1186 -14.1186 -14.0821 -14.0821 -5.6471 -5.6471 -5.0925 -5.0925 -0.5326 -0.5326 2.1905 2.1905 3.6969 3.6969 4.0659 4.0659 5.4497 5.4497 6.3756 6.3756 7.8513 7.8513 10.4765 10.4765 12.0705 12.0705 12.2154 12.2154 k = 0.4881 0.3093-0.0000 ( 2942 PWs) bands (ev): -15.1625 -15.1625 -15.1429 -15.1429 -14.1577 -14.1577 -14.1187 -14.1187 -14.0822 -14.0822 -5.6447 -5.6447 -5.0918 -5.0918 -0.5341 -0.5341 2.1942 2.1942 3.6959 3.6959 4.0532 4.0532 5.4497 5.4497 6.3528 6.3528 7.8653 7.8653 10.5075 10.5075 12.0075 12.0075 12.2882 12.2882 k = 0.4821 0.3196-0.0000 ( 2942 PWs) bands (ev): -15.1624 -15.1624 -15.1430 -15.1430 -14.1575 -14.1575 -14.1188 -14.1188 -14.0823 -14.0823 -5.6408 -5.6408 -5.0907 -5.0907 -0.5366 -0.5366 2.2004 2.2004 3.6938 3.6938 4.0329 4.0329 5.4495 5.4495 6.3156 6.3156 7.8878 7.8878 10.5583 10.5583 11.9492 11.9492 12.3631 12.3631 k = 0.4762 0.3299-0.0000 ( 2944 PWs) bands (ev): -15.1623 -15.1623 -15.1431 -15.1431 -14.1573 -14.1573 -14.1189 -14.1189 -14.0824 -14.0824 -5.6354 -5.6354 -5.0892 -5.0892 -0.5402 -0.5402 2.2090 2.2090 3.6900 3.6900 4.0065 4.0065 5.4493 5.4493 6.2655 6.2655 7.9176 7.9176 10.6274 10.6274 11.8974 11.8974 12.4390 12.4390 k = 0.4702 0.3402-0.0000 ( 2952 PWs) bands (ev): -15.1621 -15.1621 -15.1432 -15.1432 -14.1570 -14.1570 -14.1192 -14.1192 -14.0826 -14.0826 -5.6284 -5.6284 -5.0873 -5.0873 -0.5447 -0.5447 2.2201 2.2201 3.6832 3.6832 3.9760 3.9760 5.4487 5.4487 6.2040 6.2040 7.9532 7.9532 10.7132 10.7132 11.8537 11.8537 12.5151 12.5151 k = 0.4643 0.3505-0.0000 ( 2952 PWs) bands (ev): -15.1619 -15.1619 -15.1434 -15.1434 -14.1567 -14.1567 -14.1194 -14.1194 -14.0827 -14.0827 -5.6200 -5.6200 -5.0852 -5.0852 -0.5503 -0.5503 2.2337 2.2337 3.6719 3.6719 3.9441 3.9441 5.4476 5.4476 6.1331 6.1331 7.9927 7.9927 10.8139 10.8139 11.8197 11.8197 12.5908 12.5908 k = 0.4583 0.3608-0.0000 ( 2958 PWs) bands (ev): -15.1617 -15.1617 -15.1436 -15.1436 -14.1562 -14.1562 -14.1197 -14.1197 -14.0829 -14.0829 -5.6101 -5.6101 -5.0827 -5.0827 -0.5570 -0.5570 2.2496 2.2496 3.6539 3.6539 3.9139 3.9139 5.4459 5.4459 6.0547 6.0547 8.0342 8.0342 10.9275 10.9275 11.7969 11.7969 12.6658 12.6658 k = 0.4524 0.3712-0.0000 ( 2950 PWs) bands (ev): -15.1614 -15.1614 -15.1438 -15.1438 -14.1558 -14.1558 -14.1201 -14.1201 -14.0832 -14.0832 -5.5987 -5.5987 -5.0801 -5.0801 -0.5647 -0.5647 2.2680 2.2680 3.6274 3.6274 3.8883 3.8883 5.4432 5.4432 5.9710 5.9710 8.0757 8.0757 11.0519 11.0519 11.7869 11.7869 12.7396 12.7396 k = 0.4464 0.3815-0.0000 ( 2958 PWs) bands (ev): -15.1611 -15.1611 -15.1440 -15.1440 -14.1552 -14.1552 -14.1205 -14.1205 -14.0834 -14.0834 -5.5860 -5.5860 -5.0774 -5.0774 -0.5735 -0.5735 2.2888 2.2888 3.5918 3.5918 3.8688 3.8688 5.4390 5.4390 5.8842 5.8842 8.1152 8.1152 11.1851 11.1851 11.7913 11.7913 12.8121 12.8121 k = 0.4405 0.3918-0.0000 ( 2954 PWs) bands (ev): -15.1607 -15.1607 -15.1443 -15.1443 -14.1546 -14.1546 -14.1210 -14.1210 -14.0837 -14.0837 -5.5719 -5.5719 -5.0746 -5.0746 -0.5834 -0.5834 2.3119 2.3119 3.5483 3.5483 3.8548 3.8548 5.4325 5.4325 5.7967 5.7967 8.1508 8.1508 11.3249 11.3249 11.8118 11.8118 12.8830 12.8830 k = 0.4345 0.4021-0.0000 ( 2954 PWs) bands (ev): -15.1604 -15.1604 -15.1446 -15.1446 -14.1540 -14.1540 -14.1215 -14.1215 -14.0839 -14.0839 -5.5566 -5.5566 -5.0719 -5.0719 -0.5944 -0.5944 2.3374 2.3374 3.4993 3.4993 3.8447 3.8447 5.4223 5.4223 5.7114 5.7114 8.1813 8.1813 11.4689 11.4689 11.8500 11.8500 12.9523 12.9523 k = 0.4286 0.4124-0.0000 ( 2950 PWs) bands (ev): -15.1600 -15.1600 -15.1449 -15.1449 -14.1533 -14.1533 -14.1221 -14.1221 -14.0842 -14.0842 -5.5400 -5.5400 -5.0694 -5.0694 -0.6063 -0.6063 2.3651 2.3651 3.4470 3.4470 3.8364 3.8364 5.4058 5.4058 5.6327 5.6327 8.2055 8.2055 11.6141 11.6141 11.9077 11.9077 13.0199 13.0199 k = 0.4226 0.4227-0.0000 ( 2940 PWs) bands (ev): -15.1596 -15.1596 -15.1452 -15.1452 -14.1525 -14.1525 -14.1228 -14.1228 -14.0845 -14.0845 -5.5223 -5.5223 -5.0673 -5.0673 -0.6192 -0.6192 2.3951 2.3951 3.3935 3.3935 3.8282 3.8282 5.3784 5.3784 5.5665 5.5665 8.2230 8.2230 11.7566 11.7566 11.9873 11.9873 13.0859 13.0859 k = 0.4167 0.4330-0.0000 ( 2940 PWs) bands (ev): -15.1592 -15.1592 -15.1455 -15.1455 -14.1518 -14.1518 -14.1234 -14.1234 -14.0847 -14.0847 -5.5035 -5.5035 -5.0656 -5.0656 -0.6330 -0.6330 2.4273 2.4273 3.3404 3.3404 3.8184 3.8184 5.3363 5.3363 5.5181 5.5181 8.2335 8.2335 11.8924 11.8924 12.0907 12.0907 13.1505 13.1505 k = 0.4107 0.4433-0.0000 ( 2940 PWs) bands (ev): -15.1587 -15.1587 -15.1459 -15.1459 -14.1509 -14.1509 -14.1242 -14.1242 -14.0849 -14.0849 -5.4837 -5.4837 -5.0644 -5.0644 -0.6475 -0.6475 2.4617 2.4617 3.2887 3.2887 3.8056 3.8056 5.2824 5.2824 5.4860 5.4860 8.2373 8.2373 12.0211 12.0211 12.2158 12.2158 13.2140 13.2140 k = 0.4048 0.4536-0.0000 ( 2940 PWs) bands (ev): -15.1582 -15.1582 -15.1463 -15.1463 -14.1501 -14.1501 -14.1249 -14.1249 -14.0852 -14.0852 -5.4629 -5.4629 -5.0641 -5.0641 -0.6627 -0.6627 2.4981 2.4981 3.2394 3.2394 3.7886 3.7886 5.2251 5.2251 5.4632 5.4632 8.2352 8.2352 12.1470 12.1470 12.3552 12.3552 13.2768 13.2768 k = 0.3988 0.4639-0.0000 ( 2944 PWs) bands (ev): -15.1578 -15.1578 -15.1467 -15.1467 -14.1492 -14.1492 -14.1258 -14.1258 -14.0854 -14.0854 -5.4414 -5.4414 -5.0646 -5.0646 -0.6783 -0.6783 2.5365 2.5365 3.1932 3.1932 3.7665 3.7665 5.1709 5.1709 5.4441 5.4441 8.2279 8.2279 12.2741 12.2741 12.5009 12.5009 13.3395 13.3395 k = 0.3929 0.4743-0.0000 ( 2940 PWs) bands (ev): -15.1573 -15.1573 -15.1471 -15.1471 -14.1483 -14.1483 -14.1266 -14.1266 -14.0856 -14.0856 -5.4191 -5.4191 -5.0663 -5.0663 -0.6941 -0.6941 2.5767 2.5767 3.1506 3.1506 3.7385 3.7385 5.1238 5.1238 5.4260 5.4260 8.2167 8.2167 12.4038 12.4038 12.6471 12.6471 13.4031 13.4031 k = 0.3869 0.4846-0.0000 ( 2940 PWs) bands (ev): -15.1568 -15.1568 -15.1475 -15.1475 -14.1474 -14.1474 -14.1275 -14.1275 -14.0857 -14.0857 -5.3961 -5.3961 -5.0692 -5.0692 -0.7100 -0.7100 2.6187 2.6187 3.1120 3.1120 3.7042 3.7042 5.0858 5.0858 5.4072 5.4072 8.2025 8.2025 12.5348 12.5348 12.7896 12.7896 13.4687 13.4687 k = 0.3810 0.4949-0.0000 ( 2940 PWs) bands (ev): -15.1563 -15.1563 -15.1480 -15.1480 -14.1465 -14.1465 -14.1284 -14.1284 -14.0859 -14.0859 -5.3727 -5.3727 -5.0735 -5.0735 -0.7255 -0.7255 2.6622 2.6622 3.0776 3.0776 3.6640 3.6640 5.0579 5.0579 5.3871 5.3871 8.1864 8.1864 12.6641 12.6641 12.9249 12.9249 13.5378 13.5378 k = 0.3750 0.5052-0.0000 ( 2938 PWs) bands (ev): -15.1559 -15.1559 -15.1484 -15.1484 -14.1455 -14.1455 -14.1293 -14.1293 -14.0860 -14.0860 -5.3488 -5.3488 -5.0795 -5.0795 -0.7405 -0.7405 2.7069 2.7069 3.0476 3.0476 3.6183 3.6183 5.0401 5.0401 5.3652 5.3652 8.1697 8.1697 12.7873 12.7873 13.0498 13.0498 13.6116 13.6116 k = 0.3690 0.5155-0.0000 ( 2940 PWs) bands (ev): -15.1554 -15.1554 -15.1488 -15.1488 -14.1446 -14.1446 -14.1301 -14.1301 -14.0861 -14.0861 -5.3246 -5.3246 -5.0872 -5.0872 -0.7545 -0.7545 2.7524 2.7524 3.0221 3.0221 3.5685 3.5685 5.0322 5.0322 5.3412 5.3412 8.1532 8.1532 12.8998 12.8998 13.1603 13.1603 13.6895 13.6895 k = 0.3631 0.5258-0.0000 ( 2944 PWs) bands (ev): -15.1549 -15.1549 -15.1492 -15.1492 -14.1438 -14.1438 -14.1310 -14.1310 -14.0862 -14.0862 -5.3003 -5.3003 -5.0969 -5.0969 -0.7674 -0.7674 2.7981 2.7981 3.0011 3.0011 3.5161 3.5161 5.0333 5.0333 5.3151 5.3151 8.1378 8.1378 12.9973 12.9973 13.2525 13.2525 13.7637 13.7637 k = 0.3571 0.5361-0.0000 ( 2940 PWs) bands (ev): -15.1545 -15.1545 -15.1496 -15.1496 -14.1429 -14.1429 -14.1318 -14.1318 -14.0862 -14.0862 -5.2759 -5.2759 -5.1087 -5.1087 -0.7786 -0.7786 2.8429 2.8429 2.9845 2.9845 3.4634 3.4634 5.0427 5.0427 5.2869 5.2869 8.1241 8.1241 13.0769 13.0769 13.3232 13.3232 13.8147 13.8147 k = 0.3512 0.5464-0.0000 ( 2940 PWs) bands (ev): -15.1541 -15.1541 -15.1500 -15.1500 -14.1422 -14.1422 -14.1325 -14.1325 -14.0863 -14.0863 -5.2517 -5.2517 -5.1227 -5.1227 -0.7879 -0.7879 2.8849 2.8849 2.9722 2.9722 3.4132 3.4132 5.0591 5.0591 5.2569 5.2569 8.1129 8.1129 13.1377 13.1377 13.3713 13.3713 13.8449 13.8449 k = 0.3452 0.5567-0.0000 ( 2942 PWs) bands (ev): -15.1538 -15.1538 -15.1503 -15.1503 -14.1416 -14.1416 -14.1331 -14.1331 -14.0863 -14.0863 -5.2277 -5.2277 -5.1390 -5.1390 -0.7950 -0.7950 2.9209 2.9209 2.9643 2.9643 3.3698 3.3698 5.0811 5.0811 5.2258 5.2258 8.1046 8.1046 13.1800 13.1800 13.3994 13.3994 13.8678 13.8678 k = 0.3393 0.5670-0.0000 ( 2942 PWs) bands (ev): -15.1536 -15.1536 -15.1505 -15.1505 -14.1413 -14.1413 -14.1335 -14.1335 -14.0863 -14.0863 -5.2044 -5.2044 -5.1576 -5.1576 -0.7994 -0.7994 2.9450 2.9450 2.9614 2.9614 3.3389 3.3389 5.1063 5.1063 5.1954 5.1954 8.0994 8.0994 13.2046 13.2046 13.4124 13.4124 13.8840 13.8840 k = 0.3333 0.5774-0.0000 ( 2946 PWs) bands (ev): -15.1535 -15.1535 -15.1506 -15.1506 -14.1411 -14.1411 -14.1337 -14.1337 -14.0863 -14.0863 -5.1868 -5.1868 -5.1736 -5.1736 -0.8010 -0.8010 2.9516 2.9516 2.9629 2.9629 3.3275 3.3275 5.1224 5.1224 5.1776 5.1776 8.0976 8.0976 13.2126 13.2126 13.4158 13.4158 13.8901 13.8901 k = 0.3333 0.5774-0.0000 ( 2946 PWs) bands (ev): -15.1535 -15.1535 -15.1506 -15.1506 -14.1411 -14.1411 -14.1337 -14.1337 -14.0863 -14.0863 -5.1868 -5.1868 -5.1736 -5.1736 -0.8010 -0.8010 2.9516 2.9516 2.9629 2.9629 3.3275 3.3275 5.1224 5.1224 5.1776 5.1776 8.0976 8.0976 13.2126 13.2126 13.4158 13.4158 13.8901 13.8901 k = 0.3273 0.5669-0.0000 ( 2942 PWs) bands (ev): -15.1536 -15.1536 -15.1505 -15.1505 -14.1412 -14.1412 -14.1335 -14.1335 -14.0863 -14.0863 -5.2059 -5.2059 -5.1563 -5.1563 -0.7993 -0.7993 2.9439 2.9439 2.9623 2.9623 3.3394 3.3394 5.1037 5.1037 5.1980 5.1980 8.0995 8.0995 13.2049 13.2049 13.4132 13.4132 13.8832 13.8832 k = 0.3212 0.5564-0.0000 ( 2944 PWs) bands (ev): -15.1538 -15.1538 -15.1503 -15.1503 -14.1416 -14.1416 -14.1332 -14.1332 -14.0863 -14.0863 -5.2330 -5.2330 -5.1345 -5.1345 -0.7940 -0.7940 2.9181 2.9181 2.9665 2.9665 3.3718 3.3718 5.0700 5.0700 5.2367 5.2367 8.1050 8.1050 13.1835 13.1835 13.4062 13.4062 13.8626 13.8626 k = 0.3152 0.5459-0.0000 ( 2936 PWs) bands (ev): -15.1541 -15.1541 -15.1500 -15.1500 -14.1421 -14.1421 -14.1326 -14.1326 -14.0863 -14.0863 -5.2633 -5.2633 -5.1134 -5.1134 -0.7850 -0.7850 2.8821 2.8821 2.9741 2.9741 3.4183 3.4183 5.0338 5.0338 5.2812 5.2812 8.1142 8.1142 13.1507 13.1507 13.3948 13.3948 13.8294 13.8294 k = 0.3091 0.5354-0.0000 ( 2944 PWs) bands (ev): -15.1544 -15.1544 -15.1497 -15.1497 -14.1427 -14.1427 -14.1320 -14.1320 -14.0863 -14.0863 -5.2964 -5.2964 -5.0933 -5.0933 -0.7721 -0.7721 2.8421 2.8421 2.9839 2.9839 3.4740 3.4740 4.9975 4.9975 5.3293 5.3293 8.1269 8.1269 13.1089 13.1089 13.3787 13.3787 13.7857 13.7857 k = 0.3030 0.5249-0.0000 ( 2940 PWs) bands (ev): -15.1548 -15.1548 -15.1494 -15.1494 -14.1434 -14.1434 -14.1313 -14.1313 -14.0863 -14.0863 -5.3323 -5.3323 -5.0744 -5.0744 -0.7551 -0.7551 2.8018 2.8018 2.9954 2.9954 3.5356 3.5356 4.9623 4.9623 5.3800 5.3800 8.1430 8.1430 13.0599 13.0599 13.3575 13.3575 13.7340 13.7340 k = 0.2970 0.5144-0.0000 ( 2936 PWs) bands (ev): -15.1551 -15.1551 -15.1491 -15.1491 -14.1440 -14.1440 -14.1306 -14.1306 -14.0863 -14.0863 -5.3709 -5.3709 -5.0569 -5.0569 -0.7340 -0.7340 2.7632 2.7632 3.0079 3.0079 3.6014 3.6014 4.9291 4.9291 5.4329 5.4329 8.1622 8.1622 13.0050 13.0050 13.3308 13.3308 13.6766 13.6766 k = 0.2909 0.5039-0.0000 ( 2928 PWs) bands (ev): -15.1555 -15.1555 -15.1487 -15.1487 -14.1447 -14.1447 -14.1298 -14.1298 -14.0863 -14.0863 -5.4121 -5.4121 -5.0408 -5.0408 -0.7087 -0.7087 2.7279 2.7279 3.0210 3.0210 3.6703 3.6703 4.8986 4.8986 5.4875 5.4875 8.1843 8.1843 12.9455 12.9455 13.2986 13.2986 13.6153 13.6153 k = 0.2848 0.4934-0.0000 ( 2928 PWs) bands (ev): -15.1558 -15.1558 -15.1484 -15.1484 -14.1453 -14.1453 -14.1291 -14.1291 -14.0864 -14.0864 -5.4557 -5.4557 -5.0264 -5.0264 -0.6794 -0.6794 2.6966 2.6966 3.0341 3.0341 3.7416 3.7416 4.8716 4.8716 5.5436 5.5436 8.2091 8.2091 12.8821 12.8821 13.2611 13.2611 13.5514 13.5514 k = 0.2788 0.4829-0.0000 ( 2928 PWs) bands (ev): -15.1561 -15.1561 -15.1481 -15.1481 -14.1459 -14.1459 -14.1284 -14.1284 -14.0864 -14.0864 -5.5015 -5.5015 -5.0137 -5.0137 -0.6459 -0.6459 2.6701 2.6701 3.0466 3.0466 3.8149 3.8149 4.8489 4.8489 5.6007 5.6007 8.2363 8.2363 12.8158 12.8158 13.2185 13.2185 13.4860 13.4860 k = 0.2727 0.4724-0.0000 ( 2926 PWs) bands (ev): -15.1564 -15.1564 -15.1478 -15.1478 -14.1464 -14.1464 -14.1278 -14.1278 -14.0865 -14.0865 -5.5494 -5.5494 -5.0028 -5.0028 -0.6086 -0.6086 2.6486 2.6486 3.0582 3.0582 3.8897 3.8897 4.8311 4.8311 5.6586 5.6586 8.2656 8.2656 12.7473 12.7473 13.1713 13.1713 13.4197 13.4197 k = 0.2667 0.4619-0.0000 ( 2926 PWs) bands (ev): -15.1567 -15.1567 -15.1475 -15.1475 -14.1468 -14.1468 -14.1272 -14.1272 -14.0867 -14.0867 -5.5993 -5.5993 -4.9938 -4.9938 -0.5675 -0.5675 2.6328 2.6328 3.0683 3.0683 3.9658 3.9658 4.8189 4.8189 5.7170 5.7170 8.2967 8.2967 12.6774 12.6774 13.1199 13.1199 13.3531 13.3531 k = 0.2606 0.4514-0.0000 ( 2930 PWs) bands (ev): -15.1570 -15.1570 -15.1473 -15.1473 -14.1472 -14.1472 -14.1266 -14.1266 -14.0868 -14.0868 -5.6508 -5.6508 -4.9868 -4.9868 -0.5228 -0.5228 2.6227 2.6227 3.0767 3.0767 4.0430 4.0430 4.8127 4.8127 5.7756 5.7756 8.3295 8.3295 12.6065 12.6065 13.0648 13.0648 13.2864 13.2864 k = 0.2545 0.4409-0.0000 ( 2934 PWs) bands (ev): -15.1572 -15.1572 -15.1470 -15.1470 -14.1476 -14.1476 -14.1260 -14.1260 -14.0870 -14.0870 -5.7038 -5.7038 -4.9817 -4.9817 -0.4749 -0.4749 2.6185 2.6185 3.0832 3.0832 4.1212 4.1212 4.8130 4.8130 5.8342 5.8342 8.3635 8.3635 12.5354 12.5354 13.0064 13.0064 13.2200 13.2200 k = 0.2485 0.4304-0.0000 ( 2934 PWs) bands (ev): -15.1574 -15.1574 -15.1468 -15.1468 -14.1478 -14.1478 -14.1255 -14.1255 -14.0872 -14.0872 -5.7581 -5.7581 -4.9788 -4.9788 -0.4239 -0.4239 2.6205 2.6205 3.0879 3.0879 4.2000 4.2000 4.8200 4.8200 5.8925 5.8925 8.3986 8.3986 12.4646 12.4646 12.9450 12.9450 13.1540 13.1540 k = 0.2424 0.4199-0.0000 ( 2930 PWs) bands (ev): -15.1576 -15.1576 -15.1466 -15.1466 -14.1480 -14.1480 -14.1250 -14.1250 -14.0874 -14.0874 -5.8135 -5.8135 -4.9778 -4.9778 -0.3701 -0.3701 2.6288 2.6288 3.0907 3.0907 4.2793 4.2793 4.8336 4.8336 5.9502 5.9502 8.4346 8.4346 12.3943 12.3943 12.8808 12.8808 13.0887 13.0887 k = 0.2364 0.4094-0.0000 ( 2930 PWs) bands (ev): -15.1578 -15.1578 -15.1464 -15.1464 -14.1482 -14.1482 -14.1245 -14.1245 -14.0877 -14.0877 -5.8697 -5.8697 -4.9789 -4.9789 -0.3140 -0.3140 2.6433 2.6433 3.0920 3.0920 4.3590 4.3590 4.8540 4.8540 6.0072 6.0072 8.4713 8.4713 12.3249 12.3249 12.8140 12.8140 13.0243 13.0243 k = 0.2303 0.3989-0.0000 ( 2934 PWs) bands (ev): -15.1579 -15.1579 -15.1462 -15.1462 -14.1482 -14.1482 -14.1241 -14.1241 -14.0880 -14.0880 -5.9266 -5.9266 -4.9820 -4.9820 -0.2560 -0.2560 2.6641 2.6641 3.0923 3.0923 4.4389 4.4389 4.8808 4.8808 6.0630 6.0630 8.5083 8.5083 12.2567 12.2567 12.7447 12.7447 12.9610 12.9610 k = 0.2242 0.3884-0.0000 ( 2934 PWs) bands (ev): -15.1581 -15.1581 -15.1461 -15.1461 -14.1482 -14.1482 -14.1237 -14.1237 -14.0884 -14.0884 -5.9839 -5.9839 -4.9871 -4.9871 -0.1964 -0.1964 2.6913 2.6913 3.0921 3.0921 4.5188 4.5188 4.9136 4.9136 6.1176 6.1176 8.5457 8.5457 12.1898 12.1898 12.6730 12.6730 12.8992 12.8992 k = 0.2182 0.3779-0.0000 ( 2934 PWs) bands (ev): -15.1582 -15.1582 -15.1459 -15.1459 -14.1482 -14.1482 -14.1234 -14.1234 -14.0888 -14.0888 -6.0415 -6.0415 -4.9942 -4.9942 -0.1356 -0.1356 2.7247 2.7247 3.0921 3.0921 4.5986 4.5986 4.9521 4.9521 6.1707 6.1707 8.5832 8.5832 12.1240 12.1240 12.5989 12.5989 12.8392 12.8392 k = 0.2121 0.3674-0.0000 ( 2938 PWs) bands (ev): -15.1583 -15.1583 -15.1458 -15.1458 -14.1481 -14.1481 -14.1231 -14.1231 -14.0892 -14.0892 -6.0992 -6.0992 -5.0031 -5.0031 -0.0743 -0.0743 2.7643 2.7643 3.0931 3.0931 4.6781 4.6781 4.9957 4.9957 6.2220 6.2220 8.6206 8.6206 12.0594 12.0594 12.5224 12.5224 12.7814 12.7814 k = 0.2061 0.3569-0.0000 ( 2934 PWs) bands (ev): -15.1583 -15.1583 -15.1457 -15.1457 -14.1479 -14.1479 -14.1228 -14.1228 -14.0896 -14.0896 -6.1568 -6.1568 -5.0137 -5.0137 -0.0129 -0.0129 2.8099 2.8099 3.0960 3.0960 4.7571 4.7571 5.0439 5.0439 6.2714 6.2714 8.6580 8.6580 11.9958 11.9958 12.4438 12.4438 12.7262 12.7262 k = 0.2000 0.3464-0.0000 ( 2930 PWs) bands (ev): -15.1584 -15.1584 -15.1456 -15.1456 -14.1477 -14.1477 -14.1225 -14.1225 -14.0901 -14.0901 -6.2141 -6.2141 -5.0260 -5.0260 0.0480 0.0480 2.8615 2.8615 3.1017 3.1017 4.8355 4.8355 5.0959 5.0959 6.3187 6.3187 8.6953 8.6953 11.9329 11.9329 12.3630 12.3630 12.6738 12.6738 k = 0.1939 0.3359-0.0000 ( 2928 PWs) bands (ev): -15.1585 -15.1585 -15.1454 -15.1454 -14.1474 -14.1474 -14.1223 -14.1223 -14.0906 -14.0906 -6.2709 -6.2709 -5.0399 -5.0399 0.1080 0.1080 2.9187 2.9187 3.1111 3.1111 4.9130 4.9130 5.1514 5.1514 6.3637 6.3637 8.7322 8.7322 11.8703 11.8703 12.2804 12.2804 12.6246 12.6246 k = 0.1879 0.3254-0.0000 ( 2932 PWs) bands (ev): -15.1585 -15.1585 -15.1453 -15.1453 -14.1471 -14.1471 -14.1221 -14.1221 -14.0912 -14.0912 -6.3272 -6.3272 -5.0552 -5.0552 0.1664 0.1664 2.9811 2.9811 3.1254 3.1254 4.9896 4.9896 5.2096 5.2096 6.4062 6.4062 8.7689 8.7689 11.8077 11.8077 12.1962 12.1962 12.5786 12.5786 k = 0.1818 0.3149-0.0000 ( 2936 PWs) bands (ev): -15.1585 -15.1585 -15.1452 -15.1452 -14.1467 -14.1467 -14.1219 -14.1219 -14.0917 -14.0917 -6.3828 -6.3828 -5.0718 -5.0718 0.2226 0.2226 3.0477 3.0477 3.1462 3.1462 5.0651 5.0651 5.2700 5.2700 6.4462 6.4462 8.8052 8.8052 11.7446 11.7446 12.1107 12.1107 12.5359 12.5359 k = 0.1758 0.3044-0.0000 ( 2930 PWs) bands (ev): -15.1586 -15.1586 -15.1452 -15.1452 -14.1463 -14.1463 -14.1217 -14.1217 -14.0923 -14.0923 -6.4375 -6.4375 -5.0895 -5.0895 0.2762 0.2762 3.1148 3.1148 3.1777 3.1777 5.1392 5.1392 5.3320 5.3320 6.4835 6.4835 8.8411 8.8411 11.6806 11.6806 12.0244 12.0244 12.4962 12.4962 k = 0.1697 0.2939-0.0000 ( 2934 PWs) bands (ev): -15.1586 -15.1586 -15.1451 -15.1451 -14.1459 -14.1459 -14.1216 -14.1216 -14.0929 -14.0929 -6.4912 -6.4912 -5.1083 -5.1083 0.3266 0.3266 3.1721 3.1721 3.2307 3.2307 5.2119 5.2119 5.3951 5.3951 6.5181 6.5181 8.8764 8.8764 11.6152 11.6152 11.9376 11.9376 12.4594 12.4594 k = 0.1636 0.2834-0.0000 ( 2938 PWs) bands (ev): -15.1586 -15.1586 -15.1450 -15.1450 -14.1455 -14.1455 -14.1214 -14.1214 -14.0935 -14.0935 -6.5439 -6.5439 -5.1280 -5.1280 0.3734 0.3734 3.2187 3.2187 3.3064 3.3064 5.2829 5.2829 5.4588 5.4588 6.5499 6.5499 8.9111 8.9111 11.5481 11.5481 11.8510 11.8510 12.4248 12.4248 k = 0.1576 0.2729-0.0000 ( 2930 PWs) bands (ev): -15.1587 -15.1587 -15.1449 -15.1449 -14.1450 -14.1450 -14.1212 -14.1212 -14.0941 -14.0941 -6.5953 -6.5953 -5.1484 -5.1484 0.4163 0.4163 3.2666 3.2666 3.3932 3.3932 5.3522 5.3522 5.5226 5.5226 6.5790 6.5790 8.9449 8.9449 11.4787 11.4787 11.7652 11.7652 12.3917 12.3917 k = 0.1515 0.2624-0.0000 ( 2926 PWs) bands (ev): -15.1587 -15.1587 -15.1448 -15.1448 -14.1446 -14.1446 -14.1211 -14.1211 -14.0947 -14.0947 -6.6455 -6.6455 -5.1694 -5.1694 0.4550 0.4550 3.3205 3.3205 3.4864 3.4864 5.4194 5.4194 5.5861 5.5861 6.6054 6.6054 8.9774 8.9774 11.4069 11.4069 11.6807 11.6807 12.3593 12.3593 k = 0.1455 0.2519-0.0000 ( 2926 PWs) bands (ev): -15.1588 -15.1588 -15.1447 -15.1447 -14.1442 -14.1442 -14.1209 -14.1209 -14.0954 -14.0954 -6.6943 -6.6943 -5.1908 -5.1908 0.4893 0.4893 3.3816 3.3816 3.5846 3.5846 5.4846 5.4846 5.6488 5.6488 6.6291 6.6291 9.0084 9.0084 11.3325 11.3325 11.5982 11.5982 12.3266 12.3266 k = 0.1394 0.2414-0.0000 ( 2920 PWs) bands (ev): -15.1588 -15.1588 -15.1446 -15.1446 -14.1438 -14.1438 -14.1207 -14.1207 -14.0960 -14.0960 -6.7416 -6.7416 -5.2125 -5.2125 0.5193 0.5193 3.4503 3.4503 3.6874 3.6874 5.5475 5.5475 5.7103 5.7103 6.6503 6.6503 9.0370 9.0370 11.2558 11.2558 11.5181 11.5181 12.2925 12.2925 k = 0.1333 0.2309-0.0000 ( 2916 PWs) bands (ev): -15.1589 -15.1589 -15.1445 -15.1445 -14.1434 -14.1434 -14.1205 -14.1205 -14.0966 -14.0966 -6.7873 -6.7873 -5.2344 -5.2344 0.5451 0.5451 3.5267 3.5267 3.7941 3.7941 5.6081 5.6081 5.7703 5.7703 6.6689 6.6689 9.0624 9.0624 11.1774 11.1774 11.4407 11.4407 12.2561 12.2561 k = 0.1273 0.2204-0.0000 ( 2916 PWs) bands (ev): -15.1589 -15.1589 -15.1444 -15.1444 -14.1431 -14.1431 -14.1203 -14.1203 -14.0971 -14.0971 -6.8315 -6.8315 -5.2563 -5.2563 0.5667 0.5667 3.6107 3.6107 3.9045 3.9045 5.6662 5.6662 5.8283 5.8283 6.6853 6.6853 9.0837 9.0837 11.0981 11.0981 11.3661 11.3661 12.2164 12.2164 k = 0.1212 0.2099-0.0000 ( 2912 PWs) bands (ev): -15.1590 -15.1590 -15.1443 -15.1443 -14.1428 -14.1428 -14.1200 -14.1200 -14.0977 -14.0977 -6.8739 -6.8739 -5.2781 -5.2781 0.5844 0.5844 3.7020 3.7020 4.0182 4.0182 5.7217 5.7217 5.8842 5.8842 6.6994 6.6994 9.0993 9.0993 11.0193 11.0193 11.2944 11.2944 12.1730 12.1730 k = 0.1152 0.1994-0.0000 ( 2910 PWs) bands (ev): -15.1591 -15.1591 -15.1441 -15.1441 -14.1425 -14.1425 -14.1197 -14.1197 -14.0983 -14.0983 -6.9146 -6.9146 -5.2996 -5.2996 0.5985 0.5985 3.8002 3.8002 4.1348 4.1348 5.7746 5.7746 5.9376 5.9376 6.7115 6.7115 9.1076 9.1076 10.9421 10.9421 11.2257 11.2257 12.1254 12.1254 k = 0.1091 0.1890-0.0000 ( 2910 PWs) bands (ev): -15.1592 -15.1592 -15.1440 -15.1440 -14.1423 -14.1423 -14.1194 -14.1194 -14.0988 -14.0988 -6.9535 -6.9535 -5.3208 -5.3208 0.6094 0.6094 3.9049 3.9049 4.2539 4.2539 5.8248 5.8248 5.9883 5.9883 6.7217 6.7217 9.1068 9.1068 10.8674 10.8674 11.1607 11.1607 12.0739 12.0739 k = 0.1030 0.1785-0.0000 ( 2906 PWs) bands (ev): -15.1593 -15.1593 -15.1439 -15.1439 -14.1422 -14.1422 -14.1190 -14.1190 -14.0993 -14.0993 -6.9906 -6.9906 -5.3415 -5.3415 0.6174 0.6174 4.0155 4.0155 4.3751 4.3751 5.8723 5.8723 6.0362 6.0362 6.7302 6.7302 9.0951 9.0951 10.7955 10.7955 11.1008 11.1008 12.0189 12.0189 k = 0.0970 0.1680-0.0000 ( 2904 PWs) bands (ev): -15.1594 -15.1594 -15.1437 -15.1437 -14.1421 -14.1421 -14.1186 -14.1186 -14.0998 -14.0998 -7.0257 -7.0257 -5.3616 -5.3616 0.6229 0.6229 4.1315 4.1315 4.4981 4.4981 5.9171 5.9171 6.0810 6.0810 6.7372 6.7372 9.0706 9.0706 10.7257 10.7257 11.0478 11.0478 11.9614 11.9614 k = 0.0909 0.1575-0.0000 ( 2904 PWs) bands (ev): -15.1596 -15.1596 -15.1436 -15.1436 -14.1420 -14.1420 -14.1182 -14.1182 -14.1003 -14.1003 -7.0589 -7.0589 -5.3810 -5.3810 0.6262 0.6262 4.2521 4.2521 4.6221 4.6221 5.9592 5.9592 6.1227 6.1227 6.7428 6.7428 9.0322 9.0322 10.6561 10.6561 11.0047 11.0047 11.9025 11.9025 k = 0.0848 0.1470-0.0000 ( 2900 PWs) bands (ev): -15.1597 -15.1597 -15.1435 -15.1435 -14.1420 -14.1420 -14.1178 -14.1178 -14.1007 -14.1007 -7.0901 -7.0901 -5.3997 -5.3997 0.6278 0.6278 4.3768 4.3768 4.7468 4.7468 5.9987 5.9987 6.1612 6.1612 6.7471 6.7471 8.9793 8.9793 10.5842 10.5842 10.9739 10.9739 11.8438 11.8438 k = 0.0788 0.1365-0.0000 ( 2898 PWs) bands (ev): -15.1598 -15.1598 -15.1433 -15.1433 -14.1420 -14.1420 -14.1173 -14.1173 -14.1011 -14.1011 -7.1193 -7.1193 -5.4174 -5.4174 0.6279 0.6279 4.5048 4.5048 4.8714 4.8714 6.0355 6.0355 6.1964 6.1964 6.7503 6.7503 8.9124 8.9124 10.5080 10.5080 10.9571 10.9571 11.7866 11.7866 k = 0.0727 0.1260-0.0000 ( 2888 PWs) bands (ev): -15.1599 -15.1599 -15.1432 -15.1432 -14.1420 -14.1420 -14.1169 -14.1169 -14.1015 -14.1015 -7.1465 -7.1465 -5.4341 -5.4341 0.6269 0.6269 4.6353 4.6353 4.9953 4.9953 6.0699 6.0699 6.2285 6.2285 6.7524 6.7524 8.8326 8.8326 10.4265 10.4265 10.9541 10.9541 11.7325 11.7325 k = 0.0667 0.1155-0.0000 ( 2886 PWs) bands (ev): -15.1601 -15.1601 -15.1431 -15.1431 -14.1421 -14.1421 -14.1164 -14.1164 -14.1018 -14.1018 -7.1716 -7.1716 -5.4498 -5.4498 0.6250 0.6250 4.7673 4.7673 5.1177 5.1177 6.1020 6.1020 6.2573 6.2573 6.7536 6.7536 8.7417 8.7417 10.3401 10.3401 10.9631 10.9631 11.6829 11.6829 k = 0.0606 0.1050-0.0000 ( 2890 PWs) bands (ev): -15.1602 -15.1602 -15.1430 -15.1430 -14.1422 -14.1422 -14.1160 -14.1160 -14.1021 -14.1021 -7.1946 -7.1946 -5.4644 -5.4644 0.6224 0.6224 4.8998 4.8998 5.2378 5.2378 6.1317 6.1317 6.2829 6.2829 6.7540 6.7540 8.6416 8.6416 10.2501 10.2501 10.9812 10.9812 11.6390 11.6390 k = 0.0545 0.0945-0.0000 ( 2888 PWs) bands (ev): -15.1603 -15.1603 -15.1429 -15.1429 -14.1423 -14.1423 -14.1156 -14.1156 -14.1024 -14.1024 -7.2154 -7.2154 -5.4778 -5.4778 0.6195 0.6195 5.0313 5.0313 5.3546 5.3546 6.1594 6.1594 6.3054 6.3054 6.7534 6.7534 8.5349 8.5349 10.1582 10.1582 11.0052 11.0052 11.6019 11.6019 k = 0.0485 0.0840-0.0000 ( 2896 PWs) bands (ev): -15.1604 -15.1604 -15.1428 -15.1428 -14.1424 -14.1424 -14.1152 -14.1152 -14.1026 -14.1026 -7.2341 -7.2341 -5.4900 -5.4900 0.6165 0.6165 5.1601 5.1601 5.4674 5.4674 6.1848 6.1848 6.3250 6.3250 6.7521 6.7521 8.4240 8.4240 10.0664 10.0664 11.0318 11.0318 11.5726 11.5726 k = 0.0424 0.0735-0.0000 ( 2900 PWs) bands (ev): -15.1605 -15.1605 -15.1427 -15.1427 -14.1426 -14.1426 -14.1148 -14.1148 -14.1029 -14.1029 -7.2507 -7.2507 -5.5008 -5.5008 0.6133 0.6133 5.2841 5.2841 5.5753 5.5753 6.2079 6.2079 6.3421 6.3421 6.7499 6.7499 8.3116 8.3116 9.9770 9.9770 11.0579 11.0579 11.5515 11.5515 k = 0.0364 0.0630-0.0000 ( 2894 PWs) bands (ev): -15.1606 -15.1606 -15.1426 -15.1426 -14.1427 -14.1427 -14.1145 -14.1145 -14.1030 -14.1030 -7.2651 -7.2651 -5.5103 -5.5103 0.6104 0.6104 5.4003 5.4003 5.6781 5.6781 6.2278 6.2278 6.3570 6.3570 6.7469 6.7469 8.2007 8.2007 9.8924 9.8924 11.0811 11.0811 11.5390 11.5390 k = 0.0303 0.0525-0.0000 ( 2894 PWs) bands (ev): -15.1607 -15.1607 -15.1425 -15.1425 -14.1428 -14.1428 -14.1142 -14.1142 -14.1032 -14.1032 -7.2772 -7.2772 -5.5184 -5.5184 0.6076 0.6076 5.5050 5.5050 5.7756 5.7756 6.2430 6.2430 6.3708 6.3708 6.7432 6.7432 8.0947 8.0947 9.8151 9.8151 11.0996 11.0996 11.5342 11.5342 k = 0.0242 0.0420-0.0000 ( 2895 PWs) bands (ev): -15.1608 -15.1608 -15.1424 -15.1424 -14.1429 -14.1429 -14.1140 -14.1140 -14.1033 -14.1033 -7.2872 -7.2872 -5.5250 -5.5250 0.6053 0.6053 5.5943 5.5943 5.8680 5.8680 6.2509 6.2509 6.3846 6.3846 6.7389 6.7389 7.9975 7.9975 9.7475 9.7475 11.1130 11.1130 11.5355 11.5355 k = 0.0182 0.0315-0.0000 ( 2891 PWs) bands (ev): -15.1608 -15.1608 -15.1424 -15.1424 -14.1429 -14.1429 -14.1138 -14.1138 -14.1034 -14.1034 -7.2950 -7.2950 -5.5303 -5.5303 0.6034 0.6034 5.6650 5.6650 5.9549 5.9549 6.2487 6.2487 6.3986 6.3986 6.7345 6.7345 7.9137 7.9137 9.6919 9.6919 11.1217 11.1217 11.5405 11.5405 k = 0.0121 0.0210-0.0000 ( 2887 PWs) bands (ev): -15.1609 -15.1609 -15.1424 -15.1424 -14.1430 -14.1430 -14.1137 -14.1137 -14.1035 -14.1035 -7.3006 -7.3006 -5.5340 -5.5340 0.6019 0.6019 5.7153 5.7153 6.0345 6.0345 6.2341 6.2341 6.4118 6.4118 6.7304 6.7304 7.8485 7.8485 9.6505 9.6505 11.1269 11.1269 11.5465 11.5465 k = 0.0061 0.0105-0.0000 ( 2879 PWs) bands (ev): -15.1609 -15.1609 -15.1423 -15.1423 -14.1430 -14.1430 -14.1136 -14.1136 -14.1035 -14.1035 -7.3039 -7.3039 -5.5363 -5.5363 0.6011 0.6011 5.7451 5.7451 6.1038 6.1038 6.2060 6.2060 6.4214 6.4214 6.7275 6.7275 7.8067 7.8067 9.6249 9.6249 11.1295 11.1295 11.5511 11.5511 k = 0.0000 0.0000 0.0000 ( 2875 PWs) bands (ev): -15.1609 -15.1609 -15.1423 -15.1423 -14.1430 -14.1430 -14.1135 -14.1135 -14.1036 -14.1036 -7.3050 -7.3050 -5.5370 -5.5370 0.6008 0.6008 5.7549 5.7549 6.1522 6.1522 6.1717 6.1717 6.4250 6.4250 6.7265 6.7265 7.7923 7.7923 9.6163 9.6163 11.1302 11.1302 11.5528 11.5528 k = 0.0000 0.0000 0.0000 ( 2875 PWs) bands (ev): -15.1609 -15.1609 -15.1423 -15.1423 -14.1430 -14.1430 -14.1135 -14.1135 -14.1036 -14.1036 -7.3050 -7.3050 -5.5370 -5.5370 0.6008 0.6008 5.7549 5.7549 6.1522 6.1522 6.1717 6.1717 6.4250 6.4250 6.7265 6.7265 7.7923 7.7923 9.6163 9.6163 11.1302 11.1302 11.5528 11.5528 k = 0.0000 0.0000 0.0119 ( 2875 PWs) bands (ev): -15.1609 -15.1609 -15.1423 -15.1423 -14.1430 -14.1430 -14.1135 -14.1135 -14.1036 -14.1036 -7.3045 -7.3045 -5.5382 -5.5382 0.6035 0.6035 5.7539 5.7539 6.1529 6.1529 6.1712 6.1712 6.4257 6.4257 6.7131 6.7131 7.8042 7.8042 9.6163 9.6163 11.1292 11.1292 11.5517 11.5517 k = 0.0000 0.0000 0.0239 ( 2887 PWs) bands (ev): -15.1609 -15.1609 -15.1423 -15.1423 -14.1430 -14.1430 -14.1135 -14.1135 -14.1036 -14.1036 -7.3029 -7.3029 -5.5417 -5.5417 0.6117 0.6117 5.7510 5.7510 6.1549 6.1549 6.1696 6.1696 6.4280 6.4280 6.6749 6.6749 7.8381 7.8381 9.6165 9.6165 11.1262 11.1262 11.5484 11.5484 k = 0.0000 0.0000 0.0358 ( 2881 PWs) bands (ev): -15.1609 -15.1609 -15.1423 -15.1423 -14.1430 -14.1430 -14.1135 -14.1135 -14.1035 -14.1035 -7.3003 -7.3003 -5.5475 -5.5475 0.6252 0.6252 5.7460 5.7460 6.1581 6.1581 6.1670 6.1670 6.4316 6.4316 6.6164 6.6164 7.8896 7.8896 9.6169 9.6169 11.1213 11.1213 11.5429 11.5429 k = 0.0000 0.0000 0.0477 ( 2881 PWs) bands (ev): -15.1609 -15.1609 -15.1423 -15.1423 -14.1430 -14.1430 -14.1135 -14.1135 -14.1035 -14.1035 -7.2966 -7.2966 -5.5555 -5.5555 0.6439 0.6439 5.7387 5.7387 6.1626 6.1626 6.1636 6.1636 6.4365 6.4365 6.5428 6.5428 7.9538 7.9538 9.6173 9.6173 11.1145 11.1145 11.5354 11.5354 k = 0.0000 0.0000 0.0597 ( 2881 PWs) bands (ev): -15.1609 -15.1609 -15.1423 -15.1423 -14.1430 -14.1430 -14.1135 -14.1135 -14.1035 -14.1035 -7.2920 -7.2920 -5.5657 -5.5657 0.6678 0.6678 5.7288 5.7288 6.1595 6.1595 6.1681 6.1681 6.4426 6.4426 6.4592 6.4592 8.0262 8.0262 9.6178 9.6178 11.1060 11.1060 11.5259 11.5259 k = 0.0000 0.0000 0.0716 ( 2905 PWs) bands (ev): -15.1609 -15.1609 -15.1423 -15.1423 -14.1430 -14.1430 -14.1135 -14.1135 -14.1035 -14.1035 -7.2865 -7.2865 -5.5778 -5.5778 0.6965 0.6965 5.7158 5.7158 6.1548 6.1548 6.1746 6.1746 6.3696 6.3696 6.4495 6.4495 8.1035 8.1035 9.6183 9.6183 11.0959 11.0959 11.5147 11.5147 k = 0.0000 0.0000 0.0835 ( 2905 PWs) bands (ev): -15.1609 -15.1609 -15.1423 -15.1423 -14.1430 -14.1430 -14.1135 -14.1135 -14.1035 -14.1035 -7.2800 -7.2800 -5.5917 -5.5917 0.7298 0.7298 5.6986 5.6986 6.1497 6.1497 6.1818 6.1818 6.2778 6.2778 6.4573 6.4573 8.1834 8.1834 9.6188 9.6188 11.0843 11.0843 11.5020 11.5020 k = 0.0000 0.0000 0.0955 ( 2917 PWs) bands (ev): -15.1609 -15.1609 -15.1423 -15.1423 -14.1430 -14.1430 -14.1135 -14.1135 -14.1035 -14.1035 -7.2727 -7.2727 -5.6072 -5.6072 0.7675 0.7675 5.6756 5.6756 6.1442 6.1442 6.1850 6.1850 6.1921 6.1921 6.4656 6.4656 8.2640 8.2640 9.6192 9.6192 11.0715 11.0715 11.4878 11.4878 k = 0.0000 0.0000 0.1074 ( 2905 PWs) bands (ev): -15.1609 -15.1609 -15.1423 -15.1423 -14.1430 -14.1430 -14.1135 -14.1135 -14.1035 -14.1035 -7.2647 -7.2647 -5.6242 -5.6242 0.8091 0.8091 5.6446 5.6446 6.1021 6.1021 6.1386 6.1386 6.1984 6.1984 6.4744 6.4744 8.3441 8.3441 9.6195 9.6195 11.0577 11.0577 11.4726 11.4726 k = 0.0000 0.0000 0.1193 ( 2917 PWs) bands (ev): -15.1609 -15.1609 -15.1423 -15.1423 -14.1430 -14.1430 -14.1135 -14.1135 -14.1035 -14.1035 -7.2559 -7.2559 -5.6423 -5.6423 0.8543 0.8543 5.6026 5.6026 6.0266 6.0266 6.1329 6.1329 6.2071 6.2071 6.4835 6.4835 8.4227 8.4227 9.6195 9.6195 11.0431 11.0431 11.4565 11.4565 k = 0.0000 0.0000 0.1313 ( 2918 PWs) bands (ev): -15.1609 -15.1609 -15.1423 -15.1423 -14.1430 -14.1430 -14.1135 -14.1135 -14.1035 -14.1035 -7.2466 -7.2466 -5.6614 -5.6614 0.9027 0.9027 5.5474 5.5474 5.9640 5.9640 6.1273 6.1273 6.2161 6.2161 6.4927 6.4927 8.4993 8.4993 9.6192 9.6192 11.0279 11.0279 11.4397 11.4397 k = 0.0000 0.0000 0.1432 ( 2924 PWs) bands (ev): -15.1609 -15.1609 -15.1423 -15.1423 -14.1430 -14.1430 -14.1135 -14.1135 -14.1035 -14.1035 -7.2368 -7.2368 -5.6812 -5.6812 0.9536 0.9536 5.4788 5.4788 5.9155 5.9155 6.1217 6.1217 6.2252 6.2252 6.5020 6.5020 8.5732 8.5732 9.6186 9.6186 11.0124 11.0124 11.4226 11.4226 k = 0.0000 0.0000 0.1551 ( 2918 PWs) bands (ev): -15.1609 -15.1609 -15.1423 -15.1423 -14.1430 -14.1430 -14.1135 -14.1135 -14.1035 -14.1035 -7.2267 -7.2267 -5.7015 -5.7015 1.0067 1.0067 5.3995 5.3995 5.8794 5.8794 6.1163 6.1163 6.2343 6.2343 6.5111 6.5111 8.6440 8.6440 9.6176 9.6176 10.9967 10.9967 11.4053 11.4053 k = 0.0000 0.0000 0.1671 ( 2912 PWs) bands (ev): -15.1609 -15.1609 -15.1423 -15.1423 -14.1430 -14.1430 -14.1135 -14.1135 -14.1035 -14.1035 -7.2163 -7.2163 -5.7219 -5.7219 1.0612 1.0612 5.3133 5.3133 5.8526 5.8526 6.1112 6.1112 6.2432 6.2432 6.5200 6.5200 8.7114 8.7114 9.6160 9.6160 10.9811 10.9811 11.3882 11.3882 k = 0.0000 0.0000 0.1790 ( 2912 PWs) bands (ev): -15.1609 -15.1609 -15.1423 -15.1423 -14.1430 -14.1430 -14.1135 -14.1135 -14.1035 -14.1035 -7.2059 -7.2059 -5.7421 -5.7421 1.1164 1.1164 5.2239 5.2239 5.8325 5.8325 6.1063 6.1063 6.2518 6.2518 6.5286 6.5286 8.7751 8.7751 9.6140 9.6140 10.9659 10.9659 11.3715 11.3715 k = 0.0000 0.0000 0.1909 ( 2912 PWs) bands (ev): -15.1609 -15.1609 -15.1423 -15.1423 -14.1430 -14.1430 -14.1135 -14.1135 -14.1035 -14.1035 -7.1955 -7.1955 -5.7620 -5.7620 1.1717 1.1717 5.1343 5.1343 5.8170 5.8170 6.1017 6.1017 6.2600 6.2600 6.5368 6.5368 8.8349 8.8349 9.6113 9.6113 10.9512 10.9512 11.3553 11.3553 k = 0.0000 0.0000 0.2029 ( 2912 PWs) bands (ev): -15.1609 -15.1609 -15.1423 -15.1423 -14.1430 -14.1430 -14.1135 -14.1135 -14.1035 -14.1035 -7.1853 -7.1853 -5.7811 -5.7811 1.2263 1.2263 5.0468 5.0468 5.8047 5.8047 6.0975 6.0975 6.2678 6.2678 6.5445 6.5445 8.8904 8.8904 9.6081 9.6081 10.9373 10.9373 11.3400 11.3400 k = 0.0000 0.0000 0.2148 ( 2918 PWs) bands (ev): -15.1609 -15.1609 -15.1423 -15.1423 -14.1430 -14.1430 -14.1135 -14.1135 -14.1035 -14.1035 -7.1755 -7.1755 -5.7992 -5.7992 1.2791 1.2791 4.9631 4.9631 5.7948 5.7948 6.0937 6.0937 6.2750 6.2750 6.5516 6.5516 8.9415 8.9415 9.6043 9.6043 10.9243 10.9243 11.3258 11.3258 k = 0.0000 0.0000 0.2267 ( 2906 PWs) bands (ev): -15.1609 -15.1609 -15.1423 -15.1423 -14.1430 -14.1430 -14.1135 -14.1135 -14.1035 -14.1035 -7.1664 -7.1664 -5.8160 -5.8160 1.3292 1.3292 4.8849 4.8849 5.7868 5.7868 6.0903 6.0903 6.2816 6.2816 6.5581 6.5581 8.9879 8.9879 9.6001 9.6001 10.9123 10.9123 11.3127 11.3127 k = 0.0000 0.0000 0.2387 ( 2894 PWs) bands (ev): -15.1609 -15.1609 -15.1423 -15.1423 -14.1430 -14.1430 -14.1135 -14.1135 -14.1035 -14.1035 -7.1580 -7.1580 -5.8312 -5.8312 1.3757 1.3757 4.8136 4.8136 5.7803 5.7803 6.0873 6.0873 6.2874 6.2874 6.5638 6.5638 9.0294 9.0294 9.5955 9.5955 10.9017 10.9017 11.3010 11.3010 k = 0.0000 0.0000 0.2506 ( 2894 PWs) bands (ev): -15.1609 -15.1609 -15.1423 -15.1423 -14.1430 -14.1430 -14.1135 -14.1135 -14.1035 -14.1035 -7.1505 -7.1505 -5.8446 -5.8446 1.4174 1.4174 4.7505 4.7505 5.7750 5.7750 6.0847 6.0847 6.2924 6.2924 6.5687 6.5687 9.0655 9.0655 9.5908 9.5908 10.8924 10.8924 11.2909 11.2909 k = 0.0000 0.0000 0.2625 ( 2888 PWs) bands (ev): -15.1609 -15.1609 -15.1423 -15.1423 -14.1430 -14.1430 -14.1135 -14.1135 -14.1035 -14.1035 -7.1441 -7.1441 -5.8559 -5.8559 1.4534 1.4534 4.6969 4.6969 5.7709 5.7709 6.0826 6.0826 6.2966 6.2966 6.5728 6.5728 9.0960 9.0960 9.5862 9.5862 10.8847 10.8847 11.2825 11.2825 k = 0.0000 0.0000 0.2745 ( 2888 PWs) bands (ev): -15.1609 -15.1609 -15.1423 -15.1423 -14.1430 -14.1430 -14.1135 -14.1135 -14.1035 -14.1035 -7.1390 -7.1390 -5.8649 -5.8649 1.4826 1.4826 4.6539 4.6539 5.7678 5.7678 6.0809 6.0809 6.3000 6.3000 6.5761 6.5761 9.1203 9.1203 9.5820 9.5820 10.8786 10.8786 11.2758 11.2758 k = 0.0000 0.0000 0.2864 ( 2900 PWs) bands (ev): -15.1609 -15.1609 -15.1423 -15.1423 -14.1430 -14.1430 -14.1135 -14.1135 -14.1035 -14.1035 -7.1353 -7.1353 -5.8715 -5.8715 1.5041 1.5041 4.6224 4.6224 5.7656 5.7656 6.0798 6.0798 6.3024 6.3024 6.5784 6.5784 9.1381 9.1381 9.5787 9.5787 10.8742 10.8742 11.2709 11.2709 k = 0.0000 0.0000 0.2983 ( 2900 PWs) bands (ev): -15.1609 -15.1609 -15.1423 -15.1423 -14.1430 -14.1430 -14.1135 -14.1135 -14.1035 -14.1035 -7.1330 -7.1330 -5.8755 -5.8755 1.5173 1.5173 4.6032 4.6032 5.7643 5.7643 6.0790 6.0790 6.3038 6.3038 6.5798 6.5798 9.1490 9.1490 9.5765 9.5765 10.8715 10.8715 11.2680 11.2680 k = 0.0000 0.0000 0.3103 ( 2918 PWs) bands (ev): -15.1609 -15.1609 -15.1423 -15.1423 -14.1430 -14.1430 -14.1135 -14.1135 -14.1035 -14.1035 -7.1322 -7.1322 -5.8769 -5.8769 1.5218 1.5218 4.5967 4.5967 5.7639 5.7639 6.0788 6.0788 6.3043 6.3043 6.5803 6.5803 9.1527 9.1527 9.5758 9.5758 10.8706 10.8706 11.2670 11.2670 k = 0.0000 0.0000 0.3103 ( 2918 PWs) bands (ev): -15.1609 -15.1609 -15.1423 -15.1423 -14.1430 -14.1430 -14.1135 -14.1135 -14.1035 -14.1035 -7.1322 -7.1322 -5.8769 -5.8769 1.5218 1.5218 4.5967 4.5967 5.7639 5.7639 6.0788 6.0788 6.3043 6.3043 6.5803 6.5803 9.1527 9.1527 9.5758 9.5758 10.8706 10.8706 11.2670 11.2670 k = 0.0104 0.0060 0.3103 ( 2910 PWs) bands (ev): -15.1609 -15.1609 -15.1423 -15.1423 -14.1430 -14.1430 -14.1136 -14.1136 -14.1035 -14.1035 -7.1311 -7.1311 -5.8760 -5.8760 1.5207 1.5207 4.5972 4.5972 5.7591 5.7591 6.0690 6.0690 6.3048 6.3048 6.5755 6.5755 9.1540 9.1540 9.5857 9.5857 10.8743 10.8743 11.2696 11.2696 k = 0.0208 0.0120 0.3103 ( 2904 PWs) bands (ev): -15.1608 -15.1608 -15.1423 -15.1423 -14.1430 -14.1430 -14.1137 -14.1137 -14.1034 -14.1034 -7.1279 -7.1279 -5.8735 -5.8735 1.5175 1.5175 4.5988 4.5988 5.7448 5.7448 6.0411 6.0411 6.3046 6.3046 6.5621 6.5621 9.1580 9.1580 9.6147 9.6147 10.8855 10.8855 11.2776 11.2776 k = 0.0312 0.0180 0.3103 ( 2900 PWs) bands (ev): -15.1608 -15.1608 -15.1423 -15.1423 -14.1429 -14.1429 -14.1138 -14.1138 -14.1033 -14.1033 -7.1225 -7.1225 -5.8694 -5.8694 1.5120 1.5120 4.6012 4.6012 5.7205 5.7205 5.9987 5.9987 6.2993 6.2993 6.5430 6.5430 9.1639 9.1639 9.6612 9.6612 10.9045 10.9045 11.2913 11.2913 k = 0.0417 0.0241 0.3103 ( 2896 PWs) bands (ev): -15.1608 -15.1608 -15.1424 -15.1424 -14.1429 -14.1429 -14.1140 -14.1140 -14.1032 -14.1032 -7.1149 -7.1149 -5.8636 -5.8636 1.5043 1.5043 4.6045 4.6045 5.6857 5.6857 5.9460 5.9460 6.2842 6.2842 6.5226 6.5226 9.1708 9.1708 9.7225 9.7225 10.9318 10.9318 11.3112 11.3112 k = 0.0521 0.0301 0.3103 ( 2900 PWs) bands (ev): -15.1607 -15.1607 -15.1424 -15.1424 -14.1428 -14.1428 -14.1142 -14.1142 -14.1031 -14.1031 -7.1052 -7.1052 -5.8562 -5.8562 1.4943 1.4943 4.6082 4.6082 5.6393 5.6393 5.8866 5.8866 6.2559 6.2559 6.5050 6.5050 9.1772 9.1772 9.7958 9.7958 10.9681 10.9681 11.3379 11.3379 k = 0.0625 0.0361 0.3103 ( 2896 PWs) bands (ev): -15.1606 -15.1606 -15.1425 -15.1425 -14.1427 -14.1427 -14.1145 -14.1145 -14.1030 -14.1030 -7.0934 -7.0934 -5.8471 -5.8471 1.4818 1.4818 4.6120 4.6120 5.5803 5.5803 5.8245 5.8245 6.2137 6.2137 6.4922 6.4922 9.1814 9.1814 9.8782 9.8782 11.0139 11.0139 11.3720 11.3720 k = 0.0729 0.0421 0.3103 ( 2906 PWs) bands (ev): -15.1605 -15.1605 -15.1426 -15.1426 -14.1426 -14.1426 -14.1148 -14.1148 -14.1028 -14.1028 -7.0794 -7.0794 -5.8365 -5.8365 1.4668 1.4668 4.6153 4.6153 5.5086 5.5086 5.7624 5.7624 6.1601 6.1601 6.4835 6.4835 9.1817 9.1817 9.9671 9.9671 11.0695 11.0695 11.4143 11.4143 k = 0.0833 0.0481 0.3103 ( 2904 PWs) bands (ev): -15.1604 -15.1604 -15.1427 -15.1427 -14.1424 -14.1424 -14.1152 -14.1152 -14.1026 -14.1026 -7.0634 -7.0634 -5.8244 -5.8244 1.4492 1.4492 4.6172 4.6172 5.4258 5.4258 5.7018 5.7018 6.0980 6.0980 6.4770 6.4770 9.1767 9.1767 10.0602 10.0602 11.1346 11.1346 11.4653 11.4653 k = 0.0938 0.0541 0.3103 ( 2900 PWs) bands (ev): -15.1603 -15.1603 -15.1428 -15.1428 -14.1423 -14.1423 -14.1156 -14.1156 -14.1023 -14.1023 -7.0452 -7.0452 -5.8107 -5.8107 1.4288 1.4288 4.6159 4.6159 5.3355 5.3355 5.6428 5.6428 6.0305 6.0305 6.4714 6.4714 9.1651 9.1651 10.1555 10.1555 11.2080 11.2080 11.5258 11.5258 k = 0.1042 0.0601 0.3103 ( 2900 PWs) bands (ev): -15.1602 -15.1602 -15.1429 -15.1429 -14.1422 -14.1422 -14.1160 -14.1160 -14.1020 -14.1020 -7.0250 -7.0250 -5.7956 -5.7956 1.4055 1.4055 4.6090 4.6090 5.2425 5.2425 5.5848 5.5848 5.9596 5.9596 6.4655 6.4655 9.1463 9.1463 10.2517 10.2517 11.2880 11.2880 11.5965 11.5965 k = 0.1146 0.0662 0.3103 ( 2904 PWs) bands (ev): -15.1601 -15.1601 -15.1430 -15.1430 -14.1421 -14.1421 -14.1164 -14.1164 -14.1017 -14.1017 -7.0027 -7.0027 -5.7791 -5.7791 1.3791 1.3791 4.5926 4.5926 5.1532 5.1532 5.5275 5.5275 5.8869 5.8869 6.4589 6.4589 9.1202 9.1202 10.3476 10.3476 11.3720 11.3720 11.6778 11.6778 k = 0.1250 0.0722 0.3103 ( 2908 PWs) bands (ev): -15.1600 -15.1600 -15.1432 -15.1432 -14.1421 -14.1421 -14.1169 -14.1169 -14.1014 -14.1014 -6.9784 -6.9784 -5.7613 -5.7613 1.3494 1.3494 4.5609 4.5609 5.0748 5.0748 5.4707 5.4707 5.8137 5.8137 6.4511 6.4511 9.0870 9.0870 10.4423 10.4423 11.4577 11.4577 11.7694 11.7694 k = 0.1354 0.0782 0.3103 ( 2910 PWs) bands (ev): -15.1598 -15.1598 -15.1433 -15.1433 -14.1420 -14.1420 -14.1173 -14.1173 -14.1010 -14.1010 -6.9521 -6.9521 -5.7422 -5.7422 1.3164 1.3164 4.5085 4.5085 5.0140 5.0140 5.4145 5.4145 5.7408 5.7408 6.4421 6.4421 9.0473 9.0473 10.5349 10.5349 11.5432 11.5432 11.8697 11.8697 k = 0.1458 0.0842 0.3103 ( 2912 PWs) bands (ev): -15.1597 -15.1597 -15.1434 -15.1434 -14.1420 -14.1420 -14.1178 -14.1178 -14.1006 -14.1006 -6.9238 -6.9238 -5.7218 -5.7218 1.2799 1.2799 4.4336 4.4336 4.9733 4.9733 5.3597 5.3597 5.6690 5.6690 6.4318 6.4318 9.0018 9.0018 10.6247 10.6247 11.6277 11.6277 11.9757 11.9757 k = 0.1562 0.0902 0.3103 ( 2908 PWs) bands (ev): -15.1596 -15.1596 -15.1435 -15.1435 -14.1420 -14.1420 -14.1182 -14.1182 -14.1001 -14.1001 -6.8936 -6.8936 -5.7004 -5.7004 1.2397 1.2397 4.3398 4.3398 4.9492 4.9492 5.3073 5.3073 5.5988 5.5988 6.4203 6.4203 8.9514 8.9514 10.7107 10.7107 11.7109 11.7109 12.0835 12.0835 k = 0.1667 0.0962 0.3103 ( 2920 PWs) bands (ev): -15.1595 -15.1595 -15.1436 -15.1436 -14.1421 -14.1421 -14.1186 -14.1186 -14.0997 -14.0997 -6.8615 -6.8615 -5.6779 -5.6779 1.1958 1.1958 4.2330 4.2330 4.9353 4.9353 5.2587 5.2587 5.5309 5.5309 6.4076 6.4076 8.8968 8.8968 10.7920 10.7920 11.7925 11.7925 12.1882 12.1882 k = 0.1771 0.1022 0.3103 ( 2926 PWs) bands (ev): -15.1594 -15.1594 -15.1438 -15.1438 -14.1423 -14.1423 -14.1190 -14.1190 -14.0992 -14.0992 -6.8276 -6.8276 -5.6544 -5.6544 1.1481 1.1481 4.1182 4.1182 4.9250 4.9250 5.2162 5.2162 5.4657 5.4657 6.3938 6.3938 8.8389 8.8389 10.8677 10.8677 11.8726 11.8726 12.2848 12.2848 k = 0.1875 0.1083 0.3103 ( 2930 PWs) bands (ev): -15.1593 -15.1593 -15.1439 -15.1439 -14.1425 -14.1425 -14.1193 -14.1193 -14.0986 -14.0986 -6.7918 -6.7918 -5.6300 -5.6300 1.0966 1.0966 3.9991 3.9991 4.9122 4.9122 5.1825 5.1825 5.4041 5.4041 6.3790 6.3790 8.7784 8.7784 10.9366 10.9366 11.9509 11.9509 12.3686 12.3686 k = 0.1979 0.1143 0.3103 ( 2930 PWs) bands (ev): -15.1593 -15.1593 -15.1440 -15.1440 -14.1428 -14.1428 -14.1196 -14.1196 -14.0980 -14.0980 -6.7544 -6.7544 -5.6049 -5.6049 1.0413 1.0413 3.8780 3.8780 4.8928 4.8928 5.1592 5.1592 5.3472 5.3472 6.3634 6.3634 8.7160 8.7160 10.9981 10.9981 12.0270 12.0270 12.4362 12.4362 k = 0.2083 0.1203 0.3103 ( 2934 PWs) bands (ev): -15.1592 -15.1592 -15.1441 -15.1441 -14.1431 -14.1431 -14.1199 -14.1199 -14.0974 -14.0974 -6.7152 -6.7152 -5.5792 -5.5792 0.9823 0.9823 3.7565 3.7565 4.8650 4.8650 5.1445 5.1445 5.2977 5.2977 6.3470 6.3470 8.6524 8.6524 11.0512 11.0512 12.1001 12.1001 12.4862 12.4862 k = 0.2188 0.1263 0.3103 ( 2936 PWs) bands (ev): -15.1592 -15.1592 -15.1441 -15.1441 -14.1436 -14.1436 -14.1201 -14.1201 -14.0968 -14.0968 -6.6745 -6.6745 -5.5529 -5.5529 0.9197 0.9197 3.6357 3.6357 4.8302 4.8302 5.1308 5.1308 5.2614 5.2614 6.3301 6.3301 8.5881 8.5881 11.0956 11.0956 12.1695 12.1695 12.5197 12.5197 k = 0.2292 0.1323 0.3103 ( 2940 PWs) bands (ev): -15.1592 -15.1592 -15.1442 -15.1442 -14.1440 -14.1440 -14.1202 -14.1202 -14.0961 -14.0961 -6.6322 -6.6322 -5.5263 -5.5263 0.8537 0.8537 3.5164 3.5164 4.7910 4.7910 5.1076 5.1076 5.2459 5.2459 6.3128 6.3128 8.5235 8.5235 11.1308 11.1308 12.2338 12.2338 12.5399 12.5399 k = 0.2396 0.1383 0.3103 ( 2940 PWs) bands (ev): -15.1593 -15.1593 -15.1442 -15.1442 -14.1446 -14.1446 -14.1203 -14.1203 -14.0954 -14.0954 -6.5884 -6.5884 -5.4994 -5.4994 0.7845 0.7845 3.3990 3.3990 4.7497 4.7497 5.0734 5.0734 5.2502 5.2502 6.2951 6.2951 8.4592 8.4592 11.1572 11.1572 12.2909 12.2909 12.5514 12.5514 k = 0.2500 0.1443 0.3103 ( 2940 PWs) bands (ev): -15.1593 -15.1593 -15.1443 -15.1443 -14.1452 -14.1452 -14.1204 -14.1204 -14.0947 -14.0947 -6.5433 -6.5433 -5.4724 -5.4724 0.7125 0.7125 3.2840 3.2840 4.7076 4.7076 5.0344 5.0344 5.2667 5.2667 6.2773 6.2773 8.3955 8.3955 11.1749 11.1749 12.3368 12.3368 12.5602 12.5602 k = 0.2604 0.1504 0.3103 ( 2942 PWs) bands (ev): -15.1594 -15.1594 -15.1443 -15.1443 -14.1458 -14.1458 -14.1204 -14.1204 -14.0940 -14.0940 -6.4969 -6.4969 -5.4454 -5.4454 0.6380 0.6380 3.1717 3.1717 4.6659 4.6659 4.9948 4.9948 5.2897 5.2897 6.2595 6.2595 8.3326 8.3326 11.1849 11.1849 12.3658 12.3658 12.5736 12.5736 k = 0.2708 0.1564 0.3103 ( 2934 PWs) bands (ev): -15.1595 -15.1595 -15.1443 -15.1443 -14.1465 -14.1465 -14.1204 -14.1204 -14.0933 -14.0933 -6.4494 -6.4494 -5.4187 -5.4187 0.5614 0.5614 3.0623 3.0623 4.6249 4.6249 4.9569 4.9569 5.3164 5.3164 6.2417 6.2417 8.2711 8.2711 11.1880 11.1880 12.3732 12.3732 12.5974 12.5974 k = 0.2812 0.1624 0.3103 ( 2934 PWs) bands (ev): -15.1596 -15.1596 -15.1442 -15.1442 -14.1472 -14.1472 -14.1204 -14.1204 -14.0925 -14.0925 -6.4008 -6.4008 -5.3923 -5.3923 0.4831 0.4831 2.9561 2.9561 4.5850 4.5850 4.9215 4.9215 5.3454 5.3454 6.2242 6.2242 8.2110 8.2110 11.1852 11.1852 12.3605 12.3605 12.6305 12.6305 k = 0.2917 0.1684 0.3103 ( 2934 PWs) bands (ev): -15.1597 -15.1597 -15.1442 -15.1442 -14.1480 -14.1480 -14.1203 -14.1203 -14.0918 -14.0918 -6.3513 -6.3513 -5.3665 -5.3665 0.4036 0.4036 2.8533 2.8533 4.5463 4.5463 4.8891 4.8891 5.3759 5.3759 6.2070 6.2070 8.1526 8.1526 11.1776 11.1776 12.3329 12.3329 12.6683 12.6683 k = 0.3021 0.1744 0.3103 ( 2926 PWs) bands (ev): -15.1599 -15.1599 -15.1442 -15.1442 -14.1487 -14.1487 -14.1203 -14.1203 -14.0910 -14.0910 -6.3010 -6.3010 -5.3414 -5.3414 0.3235 0.3235 2.7540 2.7540 4.5089 4.5089 4.8599 4.8599 5.4071 5.4071 6.1902 6.1902 8.0962 8.0962 11.1663 11.1663 12.2949 12.2949 12.7071 12.7071 k = 0.3125 0.1804 0.3103 ( 2926 PWs) bands (ev): -15.1601 -15.1601 -15.1441 -15.1441 -14.1495 -14.1495 -14.1202 -14.1202 -14.0903 -14.0903 -6.2501 -6.2501 -5.3172 -5.3172 0.2432 0.2432 2.6584 2.6584 4.4729 4.4729 4.8340 4.8340 5.4386 5.4386 6.1740 6.1740 8.0420 8.0420 11.1522 11.1522 12.2493 12.2493 12.7446 12.7446 k = 0.3229 0.1864 0.3103 ( 2922 PWs) bands (ev): -15.1602 -15.1602 -15.1440 -15.1440 -14.1502 -14.1502 -14.1200 -14.1200 -14.0895 -14.0895 -6.1987 -6.1987 -5.2942 -5.2942 0.1632 0.1632 2.5666 2.5666 4.4383 4.4383 4.8112 4.8112 5.4700 5.4700 6.1585 6.1585 7.9901 7.9901 11.1361 11.1361 12.1981 12.1981 12.7797 12.7797 k = 0.3333 0.1925 0.3103 ( 2926 PWs) bands (ev): -15.1604 -15.1604 -15.1439 -15.1439 -14.1510 -14.1510 -14.1199 -14.1199 -14.0888 -14.0888 -6.1471 -6.1471 -5.2725 -5.2725 0.0842 0.0842 2.4788 2.4788 4.4052 4.4052 4.7916 4.7916 5.5010 5.5010 6.1438 6.1438 7.9406 7.9406 11.1188 11.1188 12.1429 12.1429 12.8116 12.8116 k = 0.3438 0.1985 0.3103 ( 2930 PWs) bands (ev): -15.1606 -15.1606 -15.1438 -15.1438 -14.1517 -14.1517 -14.1198 -14.1198 -14.0881 -14.0881 -6.0955 -6.0955 -5.2523 -5.2523 0.0066 0.0066 2.3951 2.3951 4.3735 4.3735 4.7749 4.7749 5.5312 5.5312 6.1299 6.1299 7.8938 7.8938 11.1010 11.1010 12.0850 12.0850 12.8392 12.8392 k = 0.3542 0.2045 0.3103 ( 2938 PWs) bands (ev): -15.1608 -15.1608 -15.1438 -15.1438 -14.1525 -14.1525 -14.1197 -14.1197 -14.0874 -14.0874 -6.0440 -6.0440 -5.2337 -5.2337 -0.0690 -0.0690 2.3158 2.3158 4.3435 4.3435 4.7610 4.7610 5.5604 5.5604 6.1170 6.1170 7.8497 7.8497 11.0830 11.0830 12.0258 12.0258 12.8600 12.8600 k = 0.3646 0.2105 0.3103 ( 2934 PWs) bands (ev): -15.1610 -15.1610 -15.1437 -15.1437 -14.1532 -14.1532 -14.1196 -14.1196 -14.0867 -14.0867 -5.9929 -5.9929 -5.2170 -5.2170 -0.1421 -0.1421 2.2409 2.2409 4.3151 4.3151 4.7495 4.7495 5.5882 5.5882 6.1052 6.1052 7.8085 7.8085 11.0654 11.0654 11.9662 11.9662 12.8646 12.8646 k = 0.3750 0.2165 0.3103 ( 2938 PWs) bands (ev): -15.1612 -15.1612 -15.1436 -15.1436 -14.1538 -14.1538 -14.1194 -14.1194 -14.0861 -14.0861 -5.9426 -5.9426 -5.2024 -5.2024 -0.2122 -0.2122 2.1706 2.1706 4.2884 4.2884 4.7403 4.7403 5.6144 5.6144 6.0945 6.0945 7.7702 7.7702 11.0484 11.0484 11.9073 11.9073 12.8402 12.8402 k = 0.3854 0.2225 0.3103 ( 2934 PWs) bands (ev): -15.1614 -15.1614 -15.1435 -15.1435 -14.1544 -14.1544 -14.1193 -14.1193 -14.0855 -14.0855 -5.8932 -5.8932 -5.1898 -5.1898 -0.2788 -0.2788 2.1051 2.1051 4.2636 4.2636 4.7330 4.7330 5.6388 5.6388 6.0851 6.0851 7.7350 7.7350 11.0323 11.0323 11.8501 11.8501 12.8003 12.8003 k = 0.3958 0.2285 0.3103 ( 2934 PWs) bands (ev): -15.1616 -15.1616 -15.1434 -15.1434 -14.1550 -14.1550 -14.1192 -14.1192 -14.0849 -14.0849 -5.8451 -5.8451 -5.1796 -5.1796 -0.3414 -0.3414 2.0446 2.0446 4.2406 4.2406 4.7274 4.7274 5.6611 5.6611 6.0769 6.0769 7.7028 7.7028 11.0172 11.0172 11.7953 11.7953 12.7581 12.7581 k = 0.4062 0.2345 0.3103 ( 2930 PWs) bands (ev): -15.1618 -15.1618 -15.1433 -15.1433 -14.1556 -14.1556 -14.1191 -14.1191 -14.0844 -14.0844 -5.7988 -5.7988 -5.1715 -5.1715 -0.3996 -0.3996 1.9893 1.9893 4.2196 4.2196 4.7232 4.7232 5.6812 5.6812 6.0699 6.0699 7.6737 7.6737 11.0034 11.0034 11.7437 11.7437 12.7173 12.7173 k = 0.4167 0.2406 0.3103 ( 2930 PWs) bands (ev): -15.1620 -15.1620 -15.1432 -15.1432 -14.1561 -14.1561 -14.1190 -14.1190 -14.0839 -14.0839 -5.7546 -5.7546 -5.1658 -5.1658 -0.4529 -0.4529 1.9392 1.9392 4.2007 4.2007 4.7202 4.7202 5.6990 5.6990 6.0642 6.0642 7.6478 7.6478 10.9909 10.9909 11.6959 11.6959 12.6792 12.6792 k = 0.4271 0.2466 0.3103 ( 2930 PWs) bands (ev): -15.1621 -15.1621 -15.1431 -15.1431 -14.1565 -14.1565 -14.1189 -14.1189 -14.0835 -14.0835 -5.7131 -5.7131 -5.1623 -5.1623 -0.5009 -0.5009 1.8946 1.8946 4.1838 4.1838 4.7182 4.7182 5.7144 5.7144 6.0597 6.0597 7.6250 7.6250 10.9798 10.9798 11.6525 11.6525 12.6445 12.6445 k = 0.4375 0.2526 0.3103 ( 2928 PWs) bands (ev): -15.1623 -15.1623 -15.1431 -15.1431 -14.1569 -14.1569 -14.1188 -14.1188 -14.0831 -14.0831 -5.6747 -5.6747 -5.1607 -5.1607 -0.5433 -0.5433 1.8556 1.8556 4.1691 4.1691 4.7169 4.7169 5.7275 5.7275 6.0563 6.0563 7.6054 7.6054 10.9701 10.9701 11.6140 11.6140 12.6137 12.6137 k = 0.4479 0.2586 0.3103 ( 2926 PWs) bands (ev): -15.1624 -15.1624 -15.1430 -15.1430 -14.1572 -14.1572 -14.1188 -14.1188 -14.0828 -14.0828 -5.6401 -5.6401 -5.1609 -5.1609 -0.5798 -0.5798 1.8224 1.8224 4.1566 4.1566 4.7161 4.7161 5.7382 5.7382 6.0539 6.0539 7.5888 7.5888 10.9619 10.9619 11.5807 11.5807 12.5871 12.5871 k = 0.4583 0.2646 0.3103 ( 2922 PWs) bands (ev): -15.1625 -15.1625 -15.1430 -15.1430 -14.1575 -14.1575 -14.1187 -14.1187 -14.0826 -14.0826 -5.6101 -5.6101 -5.1623 -5.1623 -0.6100 -0.6100 1.7950 1.7950 4.1463 4.1463 4.7157 4.7157 5.7467 5.7467 6.0522 6.0522 7.5753 7.5753 10.9551 10.9551 11.5531 11.5531 12.5650 12.5650 k = 0.4688 0.2706 0.3103 ( 2922 PWs) bands (ev): -15.1626 -15.1626 -15.1429 -15.1429 -14.1577 -14.1577 -14.1187 -14.1187 -14.0823 -14.0823 -5.5855 -5.5855 -5.1644 -5.1644 -0.6338 -0.6338 1.7737 1.7737 4.1383 4.1383 4.7155 4.7155 5.7532 5.7532 6.0512 6.0512 7.5649 7.5649 10.9498 10.9498 11.5313 11.5313 12.5476 12.5476 k = 0.4792 0.2766 0.3103 ( 2920 PWs) bands (ev): -15.1626 -15.1626 -15.1429 -15.1429 -14.1579 -14.1579 -14.1186 -14.1186 -14.0822 -14.0822 -5.5671 -5.5671 -5.1666 -5.1666 -0.6509 -0.6509 1.7583 1.7583 4.1325 4.1325 4.7155 4.7155 5.7576 5.7576 6.0506 6.0506 7.5575 7.5575 10.9460 10.9460 11.5156 11.5156 12.5350 12.5350 k = 0.4896 0.2827 0.3103 ( 2924 PWs) bands (ev): -15.1626 -15.1626 -15.1429 -15.1429 -14.1579 -14.1579 -14.1186 -14.1186 -14.0821 -14.0821 -5.5556 -5.5556 -5.1682 -5.1682 -0.6612 -0.6612 1.7491 1.7491 4.1290 4.1290 4.7155 4.7155 5.7603 5.7603 6.0503 6.0503 7.5530 7.5530 10.9437 10.9437 11.5062 11.5062 12.5274 12.5274 k = 0.5000 0.2887 0.3103 ( 2924 PWs) bands (ev): -15.1627 -15.1627 -15.1429 -15.1429 -14.1580 -14.1580 -14.1186 -14.1186 -14.0821 -14.0821 -5.5517 -5.5517 -5.1688 -5.1688 -0.6646 -0.6646 1.7460 1.7460 4.1279 4.1279 4.7155 4.7155 5.7612 5.7612 6.0502 6.0502 7.5516 7.5516 10.9430 10.9430 11.5030 11.5030 12.5248 12.5248 k = 0.5000 0.2887 0.3103 ( 2924 PWs) bands (ev): -15.1627 -15.1627 -15.1429 -15.1429 -14.1580 -14.1580 -14.1186 -14.1186 -14.0821 -14.0821 -5.5517 -5.5517 -5.1688 -5.1688 -0.6646 -0.6646 1.7460 1.7460 4.1279 4.1279 4.7155 4.7155 5.7612 5.7612 6.0502 6.0502 7.5516 7.5516 10.9430 10.9430 11.5030 11.5030 12.5248 12.5248 k = 0.4940 0.2990 0.3103 ( 2924 PWs) bands (ev): -15.1626 -15.1626 -15.1429 -15.1429 -14.1579 -14.1579 -14.1186 -14.1186 -14.0821 -14.0821 -5.5510 -5.5510 -5.1685 -5.1685 -0.6646 -0.6646 1.7472 1.7472 4.1184 4.1184 4.7095 4.7095 5.7669 5.7669 6.0512 6.0512 7.5573 7.5573 10.9479 10.9479 11.5061 11.5061 12.5268 12.5268 k = 0.4881 0.3093 0.3103 ( 2924 PWs) bands (ev): -15.1626 -15.1626 -15.1429 -15.1429 -14.1578 -14.1578 -14.1187 -14.1187 -14.0821 -14.0821 -5.5489 -5.5489 -5.1676 -5.1676 -0.6644 -0.6644 1.7508 1.7508 4.0907 4.0907 4.6918 4.6918 5.7832 5.7832 6.0546 6.0546 7.5745 7.5745 10.9623 10.9623 11.5156 11.5156 12.5324 12.5324 k = 0.4821 0.3196 0.3103 ( 2928 PWs) bands (ev): -15.1625 -15.1625 -15.1430 -15.1430 -14.1577 -14.1577 -14.1188 -14.1188 -14.0822 -14.0822 -5.5454 -5.5454 -5.1661 -5.1661 -0.6641 -0.6641 1.7569 1.7569 4.0460 4.0460 4.6634 4.6634 5.8076 5.8076 6.0605 6.0605 7.6029 7.6029 10.9854 10.9854 11.5319 11.5319 12.5405 12.5405 k = 0.4762 0.3299 0.3103 ( 2924 PWs) bands (ev): -15.1623 -15.1623 -15.1431 -15.1431 -14.1574 -14.1574 -14.1190 -14.1190 -14.0824 -14.0824 -5.5405 -5.5405 -5.1640 -5.1640 -0.6638 -0.6638 1.7654 1.7654 3.9867 3.9867 4.6256 4.6256 5.8365 5.8365 6.0696 6.0696 7.6425 7.6425 11.0157 11.0157 11.5557 11.5557 12.5489 12.5489 k = 0.4702 0.3402 0.3103 ( 2928 PWs) bands (ev): -15.1622 -15.1622 -15.1432 -15.1432 -14.1572 -14.1572 -14.1192 -14.1192 -14.0825 -14.0825 -5.5343 -5.5343 -5.1613 -5.1613 -0.6635 -0.6635 1.7763 1.7763 3.9154 3.9154 4.5795 4.5795 5.8667 5.8667 6.0825 6.0825 7.6927 7.6927 11.0514 11.0514 11.5880 11.5880 12.5535 12.5535 k = 0.4643 0.3505 0.3103 ( 2928 PWs) bands (ev): -15.1620 -15.1620 -15.1434 -15.1434 -14.1568 -14.1568 -14.1195 -14.1195 -14.0827 -14.0827 -5.5267 -5.5267 -5.1582 -5.1582 -0.6631 -0.6631 1.7895 1.7895 3.8347 3.8347 4.5259 4.5259 5.8954 5.8954 6.0994 6.0994 7.7530 7.7530 11.0903 11.0903 11.6298 11.6298 12.5482 12.5482 k = 0.4583 0.3608 0.3103 ( 2924 PWs) bands (ev): -15.1617 -15.1617 -15.1436 -15.1436 -14.1564 -14.1564 -14.1198 -14.1198 -14.0829 -14.0829 -5.5179 -5.5179 -5.1546 -5.1546 -0.6629 -0.6629 1.8052 1.8052 3.7470 3.7470 4.4657 4.4657 5.9209 5.9209 6.1201 6.1201 7.8226 7.8226 11.1302 11.1302 11.6818 11.6818 12.5269 12.5269 k = 0.4524 0.3712 0.3103 ( 2928 PWs) bands (ev): -15.1614 -15.1614 -15.1438 -15.1438 -14.1559 -14.1559 -14.1202 -14.1202 -14.0831 -14.0831 -5.5078 -5.5078 -5.1506 -5.1506 -0.6628 -0.6628 1.8231 1.8231 3.6547 3.6547 4.3995 4.3995 5.9430 5.9430 6.1436 6.1436 7.9003 7.9003 11.1692 11.1692 11.7441 11.7441 12.4877 12.4877 k = 0.4464 0.3815 0.3103 ( 2928 PWs) bands (ev): -15.1611 -15.1611 -15.1440 -15.1440 -14.1553 -14.1553 -14.1206 -14.1206 -14.0834 -14.0834 -5.4965 -5.4965 -5.1463 -5.1463 -0.6629 -0.6629 1.8435 1.8435 3.5596 3.5596 4.3280 4.3280 5.9623 5.9623 6.1685 6.1685 7.9849 7.9849 11.2060 11.2060 11.8154 11.8154 12.4344 12.4344 k = 0.4405 0.3918 0.3103 ( 2928 PWs) bands (ev): -15.1608 -15.1608 -15.1443 -15.1443 -14.1548 -14.1548 -14.1211 -14.1211 -14.0837 -14.0837 -5.4840 -5.4840 -5.1417 -5.1417 -0.6633 -0.6633 1.8660 1.8660 3.4634 3.4634 4.2518 4.2518 5.9798 5.9798 6.1935 6.1935 8.0750 8.0750 11.2399 11.2399 11.8923 11.8923 12.3740 12.3740 k = 0.4345 0.4021 0.3103 ( 2928 PWs) bands (ev): -15.1604 -15.1604 -15.1446 -15.1446 -14.1541 -14.1541 -14.1216 -14.1216 -14.0839 -14.0839 -5.4705 -5.4705 -5.1370 -5.1370 -0.6641 -0.6641 1.8909 1.8909 3.3675 3.3675 4.1717 4.1717 5.9964 5.9964 6.2175 6.2175 8.1693 8.1693 11.2709 11.2709 11.9665 11.9665 12.3171 12.3171 k = 0.4286 0.4124 0.3103 ( 2932 PWs) bands (ev): -15.1601 -15.1601 -15.1449 -15.1449 -14.1534 -14.1534 -14.1222 -14.1222 -14.0842 -14.0842 -5.4559 -5.4559 -5.1323 -5.1323 -0.6654 -0.6654 1.9179 1.9179 3.2730 3.2730 4.0882 4.0882 6.0126 6.0126 6.2399 6.2399 8.2660 8.2660 11.2991 11.2991 12.0166 12.0166 12.2862 12.2862 k = 0.4226 0.4227 0.3103 ( 2932 PWs) bands (ev): -15.1596 -15.1596 -15.1452 -15.1452 -14.1527 -14.1527 -14.1228 -14.1228 -14.0844 -14.0844 -5.4404 -5.4404 -5.1276 -5.1276 -0.6671 -0.6671 1.9471 1.9471 3.1810 3.1810 4.0022 4.0022 6.0290 6.0290 6.2604 6.2604 8.3639 8.3639 11.3246 11.3246 12.0108 12.0108 12.3129 12.3129 k = 0.4167 0.4330 0.3103 ( 2938 PWs) bands (ev): -15.1592 -15.1592 -15.1456 -15.1456 -14.1519 -14.1519 -14.1235 -14.1235 -14.0847 -14.0847 -5.4241 -5.4241 -5.1231 -5.1231 -0.6695 -0.6695 1.9784 1.9784 3.0922 3.0922 3.9142 3.9142 6.0456 6.0456 6.2788 6.2788 8.4615 8.4615 11.3475 11.3475 11.9597 11.9597 12.3857 12.3857 k = 0.4107 0.4433 0.3103 ( 2936 PWs) bands (ev): -15.1588 -15.1588 -15.1460 -15.1460 -14.1511 -14.1511 -14.1242 -14.1242 -14.0849 -14.0849 -5.4070 -5.4070 -5.1189 -5.1189 -0.6724 -0.6724 2.0117 2.0117 3.0076 3.0076 3.8252 3.8252 6.0627 6.0627 6.2951 6.2951 8.5574 8.5574 11.3677 11.3677 11.8923 11.8923 12.4746 12.4746 k = 0.4048 0.4536 0.3103 ( 2940 PWs) bands (ev): -15.1583 -15.1583 -15.1463 -15.1463 -14.1502 -14.1502 -14.1250 -14.1250 -14.0851 -14.0851 -5.3892 -5.3892 -5.1152 -5.1152 -0.6760 -0.6760 2.0469 2.0469 2.9276 2.9276 3.7356 3.7356 6.0803 6.0803 6.3092 6.3092 8.6503 8.6503 11.3848 11.3848 11.8218 11.8218 12.5650 12.5650 k = 0.3988 0.4639 0.3103 ( 2932 PWs) bands (ev): -15.1578 -15.1578 -15.1467 -15.1467 -14.1493 -14.1493 -14.1258 -14.1258 -14.0854 -14.0854 -5.3709 -5.3709 -5.1120 -5.1120 -0.6803 -0.6803 2.0838 2.0838 2.8529 2.8529 3.6462 3.6462 6.0983 6.0983 6.3213 6.3213 8.7391 8.7391 11.3981 11.3981 11.7538 11.7538 12.6501 12.6501 k = 0.3929 0.4743 0.3103 ( 2944 PWs) bands (ev): -15.1574 -15.1574 -15.1472 -15.1472 -14.1484 -14.1484 -14.1266 -14.1266 -14.0855 -14.0855 -5.3521 -5.3521 -5.1096 -5.1096 -0.6852 -0.6852 2.1224 2.1224 2.7839 2.7839 3.5576 3.5576 6.1166 6.1166 6.3315 6.3315 8.8226 8.8226 11.4064 11.4064 11.6919 11.6919 12.7257 12.7257 k = 0.3869 0.4846 0.3103 ( 2940 PWs) bands (ev): -15.1569 -15.1569 -15.1476 -15.1476 -14.1475 -14.1475 -14.1275 -14.1275 -14.0857 -14.0857 -5.3329 -5.3329 -5.1082 -5.1082 -0.6907 -0.6907 2.1624 2.1624 2.7210 2.7210 3.4706 3.4706 6.1351 6.1351 6.3396 6.3396 8.8999 8.8999 11.4079 11.4079 11.6394 11.6394 12.7889 12.7889 k = 0.3810 0.4949 0.3103 ( 2940 PWs) bands (ev): -15.1564 -15.1564 -15.1480 -15.1480 -14.1466 -14.1466 -14.1284 -14.1284 -14.0859 -14.0859 -5.3136 -5.3136 -5.1079 -5.1079 -0.6966 -0.6966 2.2034 2.2034 2.6645 2.6645 3.3860 3.3860 6.1536 6.1536 6.3459 6.3459 8.9700 8.9700 11.4010 11.4010 11.5989 11.5989 12.8385 12.8385 k = 0.3750 0.5052 0.3103 ( 2928 PWs) bands (ev): -15.1559 -15.1559 -15.1484 -15.1484 -14.1457 -14.1457 -14.1293 -14.1293 -14.0860 -14.0860 -5.2941 -5.2941 -5.1088 -5.1088 -0.7028 -0.7028 2.2452 2.2452 2.6147 2.6147 3.3045 3.3045 6.1718 6.1718 6.3504 6.3504 9.0321 9.0321 11.3859 11.3859 11.5711 11.5711 12.8744 12.8744 k = 0.3690 0.5155 0.3103 ( 2940 PWs) bands (ev): -15.1554 -15.1554 -15.1489 -15.1489 -14.1448 -14.1448 -14.1302 -14.1302 -14.0861 -14.0861 -5.2747 -5.2747 -5.1112 -5.1112 -0.7091 -0.7091 2.2870 2.2870 2.5716 2.5716 3.2270 3.2270 6.1895 6.1895 6.3532 6.3532 9.0857 9.0857 11.3658 11.3658 11.5533 11.5533 12.8982 12.8982 k = 0.3631 0.5258 0.3103 ( 2940 PWs) bands (ev): -15.1550 -15.1550 -15.1493 -15.1493 -14.1439 -14.1439 -14.1310 -14.1310 -14.0862 -14.0862 -5.2554 -5.2554 -5.1152 -5.1152 -0.7154 -0.7154 2.3281 2.3281 2.5354 2.5354 3.1549 3.1549 6.2063 6.2063 6.3543 6.3543 9.1303 9.1303 11.3456 11.3456 11.5411 11.5411 12.9121 12.9121 k = 0.3571 0.5361 0.3103 ( 2932 PWs) bands (ev): -15.1546 -15.1546 -15.1497 -15.1497 -14.1431 -14.1431 -14.1318 -14.1318 -14.0862 -14.0862 -5.2365 -5.2365 -5.1209 -5.1209 -0.7212 -0.7212 2.3672 2.3672 2.5062 2.5062 3.0898 3.0898 6.2219 6.2219 6.3539 6.3539 9.1658 9.1658 11.3289 11.3289 11.5311 11.5311 12.9190 12.9190 k = 0.3512 0.5464 0.3103 ( 2932 PWs) bands (ev): -15.1542 -15.1542 -15.1501 -15.1501 -14.1424 -14.1424 -14.1326 -14.1326 -14.0863 -14.0863 -5.2181 -5.2181 -5.1287 -5.1287 -0.7263 -0.7263 2.4023 2.4023 2.4838 2.4838 3.0338 3.0338 6.2356 6.2356 6.3525 6.3525 9.1924 9.1924 11.3175 11.3175 11.5217 11.5217 12.9214 12.9214 k = 0.3452 0.5567 0.3103 ( 2940 PWs) bands (ev): -15.1539 -15.1539 -15.1504 -15.1504 -14.1418 -14.1418 -14.1332 -14.1332 -14.0863 -14.0863 -5.2003 -5.2003 -5.1384 -5.1384 -0.7304 -0.7304 2.4308 2.4308 2.4683 2.4683 2.9899 2.9899 6.2466 6.2466 6.3505 6.3505 9.2104 9.2104 11.3115 11.3115 11.5128 11.5128 12.9215 12.9215 k = 0.3393 0.5670 0.3103 ( 2942 PWs) bands (ev): -15.1536 -15.1536 -15.1506 -15.1506 -14.1414 -14.1414 -14.1335 -14.1335 -14.0863 -14.0863 -5.1837 -5.1837 -5.1500 -5.1500 -0.7331 -0.7331 2.4490 2.4490 2.4597 2.4597 2.9616 2.9616 6.2540 6.2540 6.3487 6.3487 9.2206 9.2206 11.3099 11.3099 11.5056 11.5056 12.9210 12.9210 k = 0.3333 0.5774 0.3103 ( 2946 PWs) bands (ev): -15.1536 -15.1536 -15.1506 -15.1506 -14.1413 -14.1413 -14.1337 -14.1337 -14.0863 -14.0863 -5.1727 -5.1727 -5.1593 -5.1593 -0.7341 -0.7341 2.4536 2.4536 2.4586 2.4586 2.9519 2.9519 6.2566 6.2566 6.3480 6.3480 9.2237 9.2237 11.3100 11.3100 11.5025 11.5025 12.9207 12.9207 k = 0.3333 0.5774 0.3103 ( 2946 PWs) bands (ev): -15.1536 -15.1536 -15.1506 -15.1506 -14.1413 -14.1413 -14.1337 -14.1337 -14.0863 -14.0863 -5.1727 -5.1727 -5.1593 -5.1593 -0.7341 -0.7341 2.4536 2.4536 2.4586 2.4586 2.9519 2.9519 6.2566 6.2566 6.3480 6.3480 9.2237 9.2237 11.3100 11.3100 11.5025 11.5025 12.9207 12.9207 k = 0.3273 0.5669 0.3103 ( 2942 PWs) bands (ev): -15.1536 -15.1536 -15.1506 -15.1506 -14.1414 -14.1414 -14.1335 -14.1335 -14.0863 -14.0863 -5.1848 -5.1848 -5.1491 -5.1491 -0.7329 -0.7329 2.4482 2.4482 2.4606 2.4606 2.9616 2.9616 6.2538 6.2538 6.3488 6.3488 9.2208 9.2208 11.3087 11.3087 11.5069 11.5069 12.9211 12.9211 k = 0.3212 0.5564 0.3103 ( 2938 PWs) bands (ev): -15.1538 -15.1538 -15.1504 -15.1504 -14.1418 -14.1418 -14.1332 -14.1332 -14.0863 -14.0863 -5.2043 -5.2043 -5.1353 -5.1353 -0.7293 -0.7293 2.4309 2.4309 2.4701 2.4701 2.9887 2.9887 6.2455 6.2455 6.3508 6.3508 9.2128 9.2128 11.3030 11.3030 11.5215 11.5215 12.9221 12.9221 k = 0.3152 0.5459 0.3103 ( 2942 PWs) bands (ev): -15.1541 -15.1541 -15.1501 -15.1501 -14.1423 -14.1423 -14.1326 -14.1326 -14.0863 -14.0863 -5.2270 -5.2270 -5.1225 -5.1225 -0.7228 -0.7228 2.4067 2.4067 2.4858 2.4858 3.0292 3.0292 6.2327 6.2327 6.3530 6.3530 9.2008 9.2008 11.2923 11.2923 11.5471 11.5471 12.9233 12.9233 k = 0.3091 0.5354 0.3103 ( 2934 PWs) bands (ev): -15.1544 -15.1544 -15.1498 -15.1498 -14.1429 -14.1429 -14.1320 -14.1320 -14.0863 -14.0863 -5.2526 -5.2526 -5.1110 -5.1110 -0.7131 -0.7131 2.3797 2.3797 2.5071 2.5071 3.0793 3.0793 6.2162 6.2162 6.3544 6.3544 9.1859 9.1859 11.2779 11.2779 11.5822 11.5822 12.9241 12.9241 k = 0.3030 0.5249 0.3103 ( 2942 PWs) bands (ev): -15.1548 -15.1548 -15.1495 -15.1495 -14.1435 -14.1435 -14.1313 -14.1313 -14.0863 -14.0863 -5.2810 -5.2810 -5.1011 -5.1011 -0.7000 -0.7000 2.3530 2.3530 2.5336 2.5336 3.1363 3.1363 6.1967 6.1967 6.3543 6.3543 9.1689 9.1689 11.2617 11.2617 11.6248 11.6248 12.9238 12.9238 k = 0.2970 0.5144 0.3103 ( 2950 PWs) bands (ev): -15.1551 -15.1551 -15.1491 -15.1491 -14.1442 -14.1442 -14.1306 -14.1306 -14.0863 -14.0863 -5.3122 -5.3122 -5.0928 -5.0928 -0.6833 -0.6833 2.3284 2.3284 2.5651 2.5651 3.1984 3.1984 6.1748 6.1748 6.3522 6.3522 9.1506 9.1506 11.2454 11.2454 11.6732 11.6732 12.9215 12.9215 k = 0.2909 0.5039 0.3103 ( 2950 PWs) bands (ev): -15.1555 -15.1555 -15.1488 -15.1488 -14.1448 -14.1448 -14.1299 -14.1299 -14.0863 -14.0863 -5.3461 -5.3461 -5.0864 -5.0864 -0.6628 -0.6628 2.3073 2.3073 2.6012 2.6012 3.2644 3.2644 6.1509 6.1509 6.3476 6.3476 9.1317 9.1317 11.2303 11.2303 11.7260 11.7260 12.9168 12.9168 k = 0.2848 0.4934 0.3103 ( 2946 PWs) bands (ev): -15.1558 -15.1558 -15.1485 -15.1485 -14.1454 -14.1454 -14.1292 -14.1292 -14.0864 -14.0864 -5.3826 -5.3826 -5.0819 -5.0819 -0.6383 -0.6383 2.2905 2.2905 2.6416 2.6416 3.3333 3.3333 6.1254 6.1254 6.3403 6.3403 9.1127 9.1127 11.2173 11.2173 11.7821 11.7821 12.9088 12.9088 k = 0.2788 0.4829 0.3103 ( 2940 PWs) bands (ev): -15.1561 -15.1561 -15.1482 -15.1482 -14.1460 -14.1460 -14.1285 -14.1285 -14.0864 -14.0864 -5.4215 -5.4215 -5.0794 -5.0794 -0.6098 -0.6098 2.2788 2.2788 2.6860 2.6860 3.4045 3.4045 6.0988 6.0988 6.3302 6.3302 9.0939 9.0939 11.2071 11.2071 11.8405 11.8405 12.8974 12.8974 k = 0.2727 0.4724 0.3103 ( 2932 PWs) bands (ev): -15.1565 -15.1565 -15.1479 -15.1479 -14.1465 -14.1465 -14.1278 -14.1278 -14.0865 -14.0865 -5.4628 -5.4628 -5.0789 -5.0789 -0.5773 -0.5773 2.2724 2.2724 2.7340 2.7340 3.4777 3.4777 6.0713 6.0713 6.3172 6.3172 9.0757 9.0757 11.2001 11.2001 11.9007 11.9007 12.8823 12.8823 k = 0.2667 0.4619 0.3103 ( 2934 PWs) bands (ev): -15.1567 -15.1567 -15.1476 -15.1476 -14.1470 -14.1470 -14.1272 -14.1272 -14.0866 -14.0866 -5.5063 -5.5063 -5.0805 -5.0805 -0.5408 -0.5408 2.2718 2.2718 2.7854 2.7854 3.5525 3.5525 6.0433 6.0433 6.3013 6.3013 9.0582 9.0582 11.1965 11.1965 11.9618 11.9618 12.8637 12.8637 k = 0.2606 0.4514 0.3103 ( 2926 PWs) bands (ev): -15.1570 -15.1570 -15.1473 -15.1473 -14.1474 -14.1474 -14.1266 -14.1266 -14.0868 -14.0868 -5.5518 -5.5518 -5.0842 -5.0842 -0.5004 -0.5004 2.2771 2.2771 2.8400 2.8400 3.6285 3.6285 6.0152 6.0152 6.2825 6.2825 9.0416 9.0416 11.1963 11.1963 12.0234 12.0234 12.8417 12.8417 k = 0.2545 0.4409 0.3103 ( 2920 PWs) bands (ev): -15.1572 -15.1572 -15.1471 -15.1471 -14.1477 -14.1477 -14.1260 -14.1260 -14.0870 -14.0870 -5.5991 -5.5991 -5.0900 -5.0900 -0.4560 -0.4560 2.2885 2.2885 2.8972 2.8972 3.7054 3.7054 5.9873 5.9873 6.2611 6.2611 9.0260 9.0260 11.1995 11.1995 12.0849 12.0849 12.8169 12.8169 k = 0.2485 0.4304 0.3103 ( 2920 PWs) bands (ev): -15.1575 -15.1575 -15.1469 -15.1469 -14.1480 -14.1480 -14.1255 -14.1255 -14.0872 -14.0872 -5.6480 -5.6480 -5.0978 -5.0978 -0.4080 -0.4080 2.3061 2.3061 2.9570 2.9570 3.7832 3.7832 5.9600 5.9600 6.2371 6.2371 9.0114 9.0114 11.2058 11.2058 12.1457 12.1457 12.7899 12.7899 k = 0.2424 0.4199 0.3103 ( 2916 PWs) bands (ev): -15.1577 -15.1577 -15.1466 -15.1466 -14.1482 -14.1482 -14.1250 -14.1250 -14.0874 -14.0874 -5.6982 -5.6982 -5.1078 -5.1078 -0.3564 -0.3564 2.3299 2.3299 3.0190 3.0190 3.8614 3.8614 5.9336 5.9336 6.2107 6.2107 8.9979 8.9979 11.2146 11.2146 12.2053 12.2053 12.7615 12.7615 k = 0.2364 0.4094 0.3103 ( 2920 PWs) bands (ev): -15.1578 -15.1578 -15.1465 -15.1465 -14.1483 -14.1483 -14.1246 -14.1246 -14.0877 -14.0877 -5.7497 -5.7497 -5.1197 -5.1197 -0.3015 -0.3015 2.3600 2.3600 3.0828 3.0828 3.9399 3.9399 5.9085 5.9085 6.1823 6.1823 8.9854 8.9854 11.2255 11.2255 12.2631 12.2631 12.7327 12.7327 k = 0.2303 0.3989 0.3103 ( 2920 PWs) bands (ev): -15.1580 -15.1580 -15.1463 -15.1463 -14.1484 -14.1484 -14.1241 -14.1241 -14.0880 -14.0880 -5.8021 -5.8021 -5.1336 -5.1336 -0.2434 -0.2434 2.3963 2.3963 3.1484 3.1484 4.0184 4.0184 5.8850 5.8850 6.1522 6.1522 8.9740 8.9740 11.2377 11.2377 12.3182 12.3182 12.7045 12.7045 k = 0.2242 0.3884 0.3103 ( 2916 PWs) bands (ev): -15.1581 -15.1581 -15.1461 -15.1461 -14.1484 -14.1484 -14.1238 -14.1238 -14.0884 -14.0884 -5.8553 -5.8553 -5.1493 -5.1493 -0.1824 -0.1824 2.4388 2.4388 3.2153 3.2153 4.0967 4.0967 5.8633 5.8633 6.1207 6.1207 8.9637 8.9637 11.2504 11.2504 12.3698 12.3698 12.6783 12.6783 k = 0.2182 0.3779 0.3103 ( 2916 PWs) bands (ev): -15.1582 -15.1582 -15.1460 -15.1460 -14.1483 -14.1483 -14.1234 -14.1234 -14.0887 -14.0887 -5.9090 -5.9090 -5.1668 -5.1668 -0.1188 -0.1188 2.4873 2.4873 3.2833 3.2833 4.1745 4.1745 5.8437 5.8437 6.0884 6.0884 8.9544 8.9544 11.2626 11.2626 12.4164 12.4164 12.6557 12.6557 k = 0.2121 0.3674 0.3103 ( 2918 PWs) bands (ev): -15.1583 -15.1583 -15.1458 -15.1458 -14.1482 -14.1482 -14.1231 -14.1231 -14.0892 -14.0892 -5.9631 -5.9631 -5.1859 -5.1859 -0.0528 -0.0528 2.5418 2.5418 3.3522 3.3522 4.2516 4.2516 5.8264 5.8264 6.0559 6.0559 8.9462 8.9462 11.2734 11.2734 12.4561 12.4561 12.6391 12.6391 k = 0.2061 0.3569 0.3103 ( 2922 PWs) bands (ev): -15.1584 -15.1584 -15.1457 -15.1457 -14.1480 -14.1480 -14.1228 -14.1228 -14.0896 -14.0896 -6.0174 -6.0174 -5.2065 -5.2065 0.0152 0.0152 2.6022 2.6022 3.4218 3.4218 4.3277 4.3277 5.8112 5.8112 6.0237 6.0237 8.9391 8.9391 11.2815 11.2815 12.4859 12.4859 12.6314 12.6314 k = 0.2000 0.3464 0.3103 ( 2922 PWs) bands (ev): -15.1585 -15.1585 -15.1456 -15.1456 -14.1478 -14.1478 -14.1226 -14.1226 -14.0901 -14.0901 -6.0716 -6.0716 -5.2285 -5.2285 0.0849 0.0849 2.6682 2.6682 3.4918 3.4918 4.4023 4.4023 5.7981 5.7981 5.9928 5.9928 8.9331 8.9331 11.2860 11.2860 12.5037 12.5037 12.6348 12.6348 k = 0.1939 0.3359 0.3103 ( 2934 PWs) bands (ev): -15.1585 -15.1585 -15.1455 -15.1455 -14.1475 -14.1475 -14.1223 -14.1223 -14.0906 -14.0906 -6.1257 -6.1257 -5.2517 -5.2517 0.1560 0.1560 2.7397 2.7397 3.5622 3.5622 4.4752 4.4752 5.7865 5.7865 5.9645 5.9645 8.9283 8.9283 11.2861 11.2861 12.5117 12.5117 12.6468 12.6468 k = 0.1879 0.3254 0.3103 ( 2930 PWs) bands (ev): -15.1586 -15.1586 -15.1454 -15.1454 -14.1472 -14.1472 -14.1221 -14.1221 -14.0911 -14.0911 -6.1794 -6.1794 -5.2761 -5.2761 0.2282 0.2282 2.8165 2.8165 3.6327 3.6327 4.5460 4.5460 5.7756 5.7756 5.9402 5.9402 8.9248 8.9248 11.2809 11.2809 12.5153 12.5153 12.6612 12.6612 k = 0.1818 0.3149 0.3103 ( 2930 PWs) bands (ev): -15.1586 -15.1586 -15.1453 -15.1453 -14.1468 -14.1468 -14.1219 -14.1219 -14.0917 -14.0917 -6.2326 -6.2326 -5.3014 -5.3014 0.3010 0.3010 2.8984 2.8984 3.7032 3.7032 4.6141 4.6141 5.7642 5.7642 5.9218 5.9218 8.9226 8.9226 11.2701 11.2701 12.5186 12.5186 12.6730 12.6730 k = 0.1758 0.3044 0.3103 ( 2932 PWs) bands (ev): -15.1586 -15.1586 -15.1452 -15.1452 -14.1464 -14.1464 -14.1218 -14.1218 -14.0923 -14.0923 -6.2851 -6.2851 -5.3275 -5.3275 0.3742 0.3742 2.9852 2.9852 3.7738 3.7738 4.6789 4.6789 5.7514 5.7514 5.9110 5.9110 8.9218 8.9218 11.2534 11.2534 12.5231 12.5231 12.6791 12.6791 k = 0.1697 0.2939 0.3103 ( 2928 PWs) bands (ev): -15.1586 -15.1586 -15.1451 -15.1451 -14.1460 -14.1460 -14.1216 -14.1216 -14.0929 -14.0929 -6.3369 -6.3369 -5.3543 -5.3543 0.4474 0.4474 3.0767 3.0767 3.8444 3.8444 4.7400 4.7400 5.7373 5.7373 5.9086 5.9086 8.9225 8.9225 11.2311 11.2311 12.5287 12.5287 12.6779 12.6779 k = 0.1636 0.2834 0.3103 ( 2936 PWs) bands (ev): -15.1587 -15.1587 -15.1450 -15.1450 -14.1456 -14.1456 -14.1214 -14.1214 -14.0935 -14.0935 -6.3877 -6.3877 -5.3815 -5.3815 0.5201 0.5201 3.1724 3.1724 3.9151 3.9151 4.7964 4.7964 5.7229 5.7229 5.9140 5.9140 8.9249 8.9249 11.2035 11.2035 12.5339 12.5339 12.6688 12.6688 k = 0.1576 0.2729 0.3103 ( 2936 PWs) bands (ev): -15.1587 -15.1587 -15.1449 -15.1449 -14.1451 -14.1451 -14.1213 -14.1213 -14.0941 -14.0941 -6.4375 -6.4375 -5.4091 -5.4091 0.5920 0.5920 3.2722 3.2722 3.9860 3.9860 4.8475 4.8475 5.7100 5.7100 5.9264 5.9264 8.9289 8.9289 11.1710 11.1710 12.5363 12.5363 12.6520 12.6520 k = 0.1515 0.2624 0.3103 ( 2936 PWs) bands (ev): -15.1587 -15.1587 -15.1448 -15.1448 -14.1447 -14.1447 -14.1211 -14.1211 -14.0947 -14.0947 -6.4861 -6.4861 -5.4370 -5.4370 0.6627 0.6627 3.3756 3.3756 4.0573 4.0573 4.8924 4.8924 5.7006 5.7006 5.9444 5.9444 8.9348 8.9348 11.1342 11.1342 12.5316 12.5316 12.6290 12.6290 k = 0.1455 0.2519 0.3103 ( 2930 PWs) bands (ev): -15.1588 -15.1588 -15.1447 -15.1447 -14.1442 -14.1442 -14.1209 -14.1209 -14.0953 -14.0953 -6.5335 -6.5335 -5.4649 -5.4649 0.7319 0.7319 3.4823 3.4823 4.1291 4.1291 4.9305 4.9305 5.6961 5.6961 5.9672 5.9672 8.9425 8.9425 11.0936 11.0936 12.5137 12.5137 12.6032 12.6032 k = 0.1394 0.2414 0.3103 ( 2934 PWs) bands (ev): -15.1588 -15.1588 -15.1446 -15.1446 -14.1438 -14.1438 -14.1208 -14.1208 -14.0959 -14.0959 -6.5795 -6.5795 -5.4927 -5.4927 0.7992 0.7992 3.5917 3.5917 4.2018 4.2018 4.9614 4.9614 5.6977 5.6977 5.9938 5.9938 8.9522 8.9522 11.0498 11.0498 12.4780 12.4780 12.5766 12.5766 k = 0.1333 0.2309 0.3103 ( 2938 PWs) bands (ev): -15.1589 -15.1589 -15.1445 -15.1445 -14.1435 -14.1435 -14.1205 -14.1205 -14.0965 -14.0965 -6.6241 -6.6241 -5.5203 -5.5203 0.8642 0.8642 3.7034 3.7034 4.2755 4.2755 4.9850 4.9850 5.7059 5.7059 6.0236 6.0236 8.9638 8.9638 11.0033 11.0033 12.4257 12.4257 12.5457 12.5457 k = 0.1273 0.2204 0.3103 ( 2938 PWs) bands (ev): -15.1590 -15.1590 -15.1444 -15.1444 -14.1431 -14.1431 -14.1203 -14.1203 -14.0971 -14.0971 -6.6671 -6.6671 -5.5476 -5.5476 0.9268 0.9268 3.8165 3.8165 4.3506 4.3506 5.0023 5.0023 5.7207 5.7207 6.0557 6.0557 8.9774 8.9774 10.9542 10.9542 12.3603 12.3603 12.5056 12.5056 k = 0.1212 0.2099 0.3103 ( 2938 PWs) bands (ev): -15.1590 -15.1590 -15.1442 -15.1442 -14.1428 -14.1428 -14.1200 -14.1200 -14.0977 -14.0977 -6.7086 -6.7086 -5.5744 -5.5744 0.9866 0.9866 3.9300 3.9300 4.4273 4.4273 5.0145 5.0145 5.7414 5.7414 6.0896 6.0896 8.9928 8.9928 10.9029 10.9029 12.2848 12.2848 12.4536 12.4536 k = 0.1152 0.1994 0.3103 ( 2938 PWs) bands (ev): -15.1591 -15.1591 -15.1441 -15.1441 -14.1425 -14.1425 -14.1197 -14.1197 -14.0982 -14.0982 -6.7484 -6.7484 -5.6006 -5.6006 1.0434 1.0434 4.0428 4.0428 4.5058 4.5058 5.0236 5.0236 5.7671 5.7671 6.1245 6.1245 9.0100 9.0100 10.8494 10.8494 12.2007 12.2007 12.3891 12.3891 k = 0.1091 0.1890 0.3103 ( 2938 PWs) bands (ev): -15.1592 -15.1592 -15.1440 -15.1440 -14.1423 -14.1423 -14.1194 -14.1194 -14.0987 -14.0987 -6.7865 -6.7865 -5.6262 -5.6262 1.0971 1.0971 4.1528 4.1528 4.5864 4.5864 5.0322 5.0322 5.7968 5.7968 6.1600 6.1600 9.0286 9.0286 10.7938 10.7938 12.1097 12.1097 12.3133 12.3133 k = 0.1030 0.1785 0.3103 ( 2936 PWs) bands (ev): -15.1593 -15.1593 -15.1438 -15.1438 -14.1422 -14.1422 -14.1190 -14.1190 -14.0992 -14.0992 -6.8228 -6.8228 -5.6509 -5.6509 1.1474 1.1474 4.2577 4.2577 4.6694 4.6694 5.0432 5.0432 5.8293 5.8293 6.1954 6.1954 9.0485 9.0485 10.7358 10.7358 12.0129 12.0129 12.2284 12.2284 k = 0.0970 0.1680 0.3103 ( 2932 PWs) bands (ev): -15.1594 -15.1594 -15.1437 -15.1437 -14.1420 -14.1420 -14.1187 -14.1187 -14.0997 -14.0997 -6.8573 -6.8573 -5.6748 -5.6748 1.1943 1.1943 4.3539 4.3539 4.7553 4.7553 5.0603 5.0603 5.8637 5.8637 6.2301 6.2301 9.0691 9.0691 10.6752 10.6752 11.9117 11.9117 12.1369 12.1369 k = 0.0909 0.1575 0.3103 ( 2932 PWs) bands (ev): -15.1596 -15.1596 -15.1436 -15.1436 -14.1420 -14.1420 -14.1182 -14.1182 -14.1002 -14.1002 -6.8899 -6.8899 -5.6977 -5.6977 1.2377 1.2377 4.4374 4.4374 4.8442 4.8442 5.0872 5.0872 5.8993 5.8993 6.2638 6.2638 9.0900 9.0900 10.6115 10.6115 11.8074 11.8074 12.0418 12.0418 k = 0.0848 0.1470 0.3103 ( 2920 PWs) bands (ev): -15.1597 -15.1597 -15.1434 -15.1434 -14.1420 -14.1420 -14.1178 -14.1178 -14.1006 -14.1006 -6.9206 -6.9206 -5.7195 -5.7195 1.2776 1.2776 4.5045 4.5045 4.9362 4.9362 5.1275 5.1275 5.9357 5.9357 6.2959 6.2959 9.1105 9.1105 10.5445 10.5445 11.7016 11.7016 11.9458 11.9458 k = 0.0788 0.1365 0.3103 ( 2920 PWs) bands (ev): -15.1598 -15.1598 -15.1433 -15.1433 -14.1420 -14.1420 -14.1174 -14.1174 -14.1010 -14.1010 -6.9493 -6.9493 -5.7401 -5.7401 1.3141 1.3141 4.5536 4.5536 5.0299 5.0299 5.1835 5.1835 5.9725 5.9725 6.3262 6.3262 9.1300 9.1300 10.4735 10.4735 11.5961 11.5961 11.8515 11.8515 k = 0.0727 0.1260 0.3103 ( 2912 PWs) bands (ev): -15.1599 -15.1599 -15.1432 -15.1432 -14.1420 -14.1420 -14.1169 -14.1169 -14.1014 -14.1014 -6.9760 -6.9760 -5.7595 -5.7595 1.3473 1.3473 4.5861 4.5861 5.1228 5.1228 5.2550 5.2550 6.0097 6.0097 6.3543 6.3543 9.1477 9.1477 10.3982 10.3982 11.4927 11.4927 11.7611 11.7611 k = 0.0667 0.1155 0.3103 ( 2916 PWs) bands (ev): -15.1601 -15.1601 -15.1430 -15.1430 -14.1421 -14.1421 -14.1165 -14.1165 -14.1017 -14.1017 -7.0007 -7.0007 -5.7777 -5.7777 1.3771 1.3771 4.6053 4.6053 5.2126 5.2126 5.3398 5.3398 6.0472 6.0472 6.3801 6.3801 9.1628 9.1628 10.3185 10.3185 11.3935 11.3935 11.6764 11.6764 k = 0.0606 0.1050 0.3103 ( 2908 PWs) bands (ev): -15.1602 -15.1602 -15.1429 -15.1429 -14.1422 -14.1422 -14.1160 -14.1160 -14.1020 -14.1020 -7.0233 -7.0233 -5.7944 -5.7944 1.4038 1.4038 4.6151 4.6151 5.2979 5.2979 5.4331 5.4331 6.0850 6.0850 6.4035 6.4035 9.1748 9.1748 10.2345 10.2345 11.3004 11.3004 11.5990 11.5990 k = 0.0545 0.0945 0.3103 ( 2906 PWs) bands (ev): -15.1603 -15.1603 -15.1428 -15.1428 -14.1423 -14.1423 -14.1156 -14.1156 -14.1023 -14.1023 -7.0439 -7.0439 -5.8097 -5.8097 1.4274 1.4274 4.6187 4.6187 5.3787 5.3787 5.5297 5.5297 6.1234 6.1234 6.4246 6.4246 9.1829 9.1829 10.1471 10.1471 11.2151 11.2151 11.5297 11.5297 k = 0.0485 0.0840 0.3103 ( 2902 PWs) bands (ev): -15.1604 -15.1604 -15.1427 -15.1427 -14.1424 -14.1424 -14.1152 -14.1152 -14.1026 -14.1026 -7.0623 -7.0623 -5.8236 -5.8236 1.4481 1.4481 4.6185 4.6185 5.4545 5.4545 5.6249 5.6249 6.1618 6.1618 6.4438 6.4438 9.1871 9.1871 10.0575 10.0575 11.1388 11.1388 11.4690 11.4690 k = 0.0424 0.0735 0.3103 ( 2898 PWs) bands (ev): -15.1605 -15.1605 -15.1426 -15.1426 -14.1425 -14.1425 -14.1148 -14.1148 -14.1028 -14.1028 -7.0786 -7.0786 -5.8359 -5.8359 1.4660 1.4660 4.6160 4.6160 5.5244 5.5244 5.7156 5.7156 6.1996 6.1996 6.4619 6.4619 9.1873 9.1873 9.9677 9.9677 11.0723 11.0723 11.4172 11.4172 k = 0.0364 0.0630 0.3103 ( 2902 PWs) bands (ev): -15.1606 -15.1606 -15.1425 -15.1425 -14.1427 -14.1427 -14.1145 -14.1145 -14.1030 -14.1030 -7.0928 -7.0928 -5.8467 -5.8467 1.4812 1.4812 4.6124 4.6124 5.5869 5.5869 5.7995 5.7995 6.2349 6.2349 6.4799 6.4799 9.1841 9.1841 9.8803 9.8803 11.0159 11.0159 11.3741 11.3741 k = 0.0303 0.0525 0.3103 ( 2902 PWs) bands (ev): -15.1607 -15.1607 -15.1424 -15.1424 -14.1428 -14.1428 -14.1142 -14.1142 -14.1031 -14.1031 -7.1048 -7.1048 -5.8558 -5.8558 1.4938 1.4938 4.6084 4.6084 5.6410 5.6410 5.8751 5.8751 6.2650 6.2650 6.4991 6.4991 9.1784 9.1784 9.7981 9.7981 10.9695 10.9695 11.3392 11.3392 k = 0.0242 0.0420 0.3103 ( 2898 PWs) bands (ev): -15.1608 -15.1608 -15.1424 -15.1424 -14.1429 -14.1429 -14.1140 -14.1140 -14.1032 -14.1032 -7.1147 -7.1147 -5.8634 -5.8634 1.5040 1.5040 4.6046 4.6046 5.6855 5.6855 5.9413 5.9413 6.2871 6.2871 6.5203 6.5203 9.1713 9.1713 9.7244 9.7244 10.9327 10.9327 11.3120 11.3120 k = 0.0182 0.0315 0.3103 ( 2898 PWs) bands (ev): -15.1608 -15.1608 -15.1423 -15.1423 -14.1429 -14.1429 -14.1138 -14.1138 -14.1033 -14.1033 -7.1223 -7.1223 -5.8693 -5.8693 1.5119 1.5119 4.6013 4.6013 5.7200 5.7200 5.9970 5.9970 6.2999 6.2999 6.5422 6.5422 9.1641 9.1641 9.6624 9.6624 10.9050 10.9050 11.2917 11.2917 k = 0.0121 0.0210 0.3103 ( 2906 PWs) bands (ev): -15.1608 -15.1608 -15.1423 -15.1423 -14.1430 -14.1430 -14.1137 -14.1137 -14.1034 -14.1034 -7.1278 -7.1278 -5.8735 -5.8735 1.5174 1.5174 4.5988 4.5988 5.7445 5.7445 6.0404 6.0404 6.3047 6.3047 6.5618 6.5618 9.1581 9.1581 9.6153 9.6153 10.8857 10.8857 11.2778 11.2778 k = 0.0061 0.0105 0.3103 ( 2910 PWs) bands (ev): -15.1609 -15.1609 -15.1423 -15.1423 -14.1430 -14.1430 -14.1136 -14.1136 -14.1035 -14.1035 -7.1311 -7.1311 -5.8760 -5.8760 1.5207 1.5207 4.5972 4.5972 5.7590 5.7590 6.0688 6.0688 6.3048 6.3048 6.5754 6.5754 9.1541 9.1541 9.5858 9.5858 10.8743 10.8743 11.2697 11.2697 k = 0.0000 0.0000 0.3103 ( 2918 PWs) bands (ev): -15.1609 -15.1609 -15.1423 -15.1423 -14.1430 -14.1430 -14.1135 -14.1135 -14.1035 -14.1035 -7.1322 -7.1322 -5.8769 -5.8769 1.5218 1.5218 4.5967 4.5967 5.7639 5.7639 6.0788 6.0788 6.3043 6.3043 6.5803 6.5803 9.1527 9.1527 9.5758 9.5758 10.8706 10.8706 11.2670 11.2670 k = 0.5000 0.2887 0.3103 ( 2924 PWs) bands (ev): -15.1627 -15.1627 -15.1429 -15.1429 -14.1580 -14.1580 -14.1186 -14.1186 -14.0821 -14.0821 -5.5517 -5.5517 -5.1688 -5.1688 -0.6646 -0.6646 1.7460 1.7460 4.1279 4.1279 4.7155 4.7155 5.7612 5.7612 6.0502 6.0502 7.5516 7.5516 10.9430 10.9430 11.5030 11.5030 12.5248 12.5248 k = 0.5000 0.2887 0.2983 ( 2922 PWs) bands (ev): -15.1627 -15.1627 -15.1429 -15.1429 -14.1580 -14.1580 -14.1186 -14.1186 -14.0821 -14.0821 -5.5522 -5.5522 -5.1685 -5.1685 -0.6642 -0.6642 1.7474 1.7474 4.1269 4.1269 4.7103 4.7103 5.7639 5.7639 6.0521 6.0521 7.5488 7.5488 10.9424 10.9424 11.5081 11.5081 12.5275 12.5275 k = 0.5000 0.2887 0.2864 ( 2922 PWs) bands (ev): -15.1627 -15.1627 -15.1429 -15.1429 -14.1580 -14.1580 -14.1186 -14.1186 -14.0821 -14.0821 -5.5534 -5.5534 -5.1674 -5.1674 -0.6629 -0.6629 1.7515 1.7515 4.1240 4.1240 4.6950 4.6950 5.7719 5.7719 6.0580 6.0580 7.5406 7.5406 10.9403 10.9403 11.5239 11.5239 12.5351 12.5351 k = 0.5000 0.2887 0.2745 ( 2922 PWs) bands (ev): -15.1627 -15.1627 -15.1429 -15.1429 -14.1580 -14.1580 -14.1186 -14.1186 -14.0821 -14.0821 -5.5555 -5.5555 -5.1657 -5.1657 -0.6607 -0.6607 1.7583 1.7583 4.1192 4.1192 4.6707 4.6707 5.7841 5.7841 6.0674 6.0674 7.5280 7.5280 10.9353 10.9353 11.5514 11.5514 12.5470 12.5470 k = 0.5000 0.2887 0.2625 ( 2922 PWs) bands (ev): -15.1627 -15.1627 -15.1429 -15.1429 -14.1580 -14.1580 -14.1186 -14.1186 -14.0821 -14.0821 -5.5584 -5.5584 -5.1633 -5.1633 -0.6577 -0.6577 1.7678 1.7678 4.1125 4.1125 4.6387 4.6387 5.7989 5.7989 6.0798 6.0798 7.5122 7.5122 10.9262 10.9262 11.5919 11.5919 12.5620 12.5620 k = 0.5000 0.2887 0.2506 ( 2918 PWs) bands (ev): -15.1627 -15.1627 -15.1429 -15.1429 -14.1580 -14.1580 -14.1186 -14.1186 -14.0821 -14.0821 -5.5619 -5.5619 -5.1604 -5.1604 -0.6538 -0.6538 1.7799 1.7799 4.1039 4.1039 4.6007 4.6007 5.8150 5.8150 6.0945 6.0945 7.4948 7.4948 10.9122 10.9122 11.6459 11.6459 12.5787 12.5787 k = 0.5000 0.2887 0.2387 ( 2922 PWs) bands (ev): -15.1627 -15.1627 -15.1429 -15.1429 -14.1580 -14.1580 -14.1186 -14.1186 -14.0821 -14.0821 -5.5661 -5.5661 -5.1570 -5.1570 -0.6492 -0.6492 1.7943 1.7943 4.0935 4.0935 4.5583 4.5583 5.8305 5.8305 6.1105 6.1105 7.4778 7.4778 10.8930 10.8930 11.7129 11.7129 12.5955 12.5955 k = 0.5000 0.2887 0.2267 ( 2926 PWs) bands (ev): -15.1626 -15.1626 -15.1429 -15.1429 -14.1580 -14.1580 -14.1186 -14.1186 -14.0821 -14.0821 -5.5707 -5.5707 -5.1532 -5.1532 -0.6439 -0.6439 1.8111 1.8111 4.0811 4.0811 4.5131 4.5131 5.8442 5.8442 6.1270 6.1270 7.4632 7.4632 10.8692 10.8692 11.7917 11.7917 12.6111 12.6111 k = 0.5000 0.2887 0.2148 ( 2926 PWs) bands (ev): -15.1626 -15.1626 -15.1429 -15.1429 -14.1580 -14.1580 -14.1186 -14.1186 -14.0821 -14.0821 -5.5758 -5.5758 -5.1490 -5.1490 -0.6380 -0.6380 1.8300 1.8300 4.0668 4.0668 4.4665 4.4665 5.8544 5.8544 6.1431 6.1431 7.4528 7.4528 10.8417 10.8417 11.8797 11.8797 12.6245 12.6245 k = 0.5000 0.2887 0.2029 ( 2930 PWs) bands (ev): -15.1626 -15.1626 -15.1429 -15.1429 -14.1579 -14.1579 -14.1186 -14.1186 -14.0821 -14.0821 -5.5812 -5.5812 -5.1446 -5.1446 -0.6315 -0.6315 1.8509 1.8509 4.0505 4.0505 4.4198 4.4198 5.8599 5.8599 6.1587 6.1587 7.4483 7.4483 10.8116 10.8116 11.9740 11.9740 12.6349 12.6349 k = 0.5000 0.2887 0.1909 ( 2930 PWs) bands (ev): -15.1626 -15.1626 -15.1429 -15.1429 -14.1579 -14.1579 -14.1186 -14.1186 -14.0821 -14.0821 -5.5868 -5.5868 -5.1401 -5.1401 -0.6245 -0.6245 1.8735 1.8735 4.0321 4.0321 4.3742 4.3742 5.8592 5.8592 6.1737 6.1737 7.4507 7.4507 10.7798 10.7798 12.0698 12.0698 12.6419 12.6419 k = 0.5000 0.2887 0.1790 ( 2920 PWs) bands (ev): -15.1626 -15.1626 -15.1429 -15.1429 -14.1579 -14.1579 -14.1186 -14.1186 -14.0821 -14.0821 -5.5926 -5.5926 -5.1355 -5.1355 -0.6170 -0.6170 1.8975 1.8975 4.0114 4.0114 4.3307 4.3307 5.8515 5.8515 6.1886 6.1886 7.4604 7.4604 10.7473 10.7473 12.1603 12.1603 12.6422 12.6422 k = 0.5000 0.2887 0.1671 ( 2928 PWs) bands (ev): -15.1626 -15.1626 -15.1429 -15.1429 -14.1579 -14.1579 -14.1186 -14.1186 -14.0821 -14.0821 -5.5984 -5.5984 -5.1309 -5.1309 -0.6093 -0.6093 1.9228 1.9228 3.9884 3.9884 4.2903 4.2903 5.8362 5.8362 6.2040 6.2040 7.4774 7.4774 10.7149 10.7149 12.2359 12.2359 12.6266 12.6266 k = 0.5000 0.2887 0.1551 ( 2924 PWs) bands (ev): -15.1626 -15.1626 -15.1429 -15.1429 -14.1579 -14.1579 -14.1186 -14.1186 -14.0821 -14.0821 -5.6041 -5.6041 -5.1263 -5.1263 -0.6014 -0.6014 1.9489 1.9489 3.9631 3.9631 4.2537 4.2537 5.8137 5.8137 6.2202 6.2202 7.5009 7.5009 10.6831 10.6831 12.2863 12.2863 12.5948 12.5948 k = 0.5000 0.2887 0.1432 ( 2918 PWs) bands (ev): -15.1626 -15.1626 -15.1429 -15.1429 -14.1579 -14.1579 -14.1186 -14.1186 -14.0821 -14.0821 -5.6098 -5.6098 -5.1219 -5.1219 -0.5934 -0.5934 1.9755 1.9755 3.9359 3.9359 4.2211 4.2211 5.7847 5.7847 6.2372 6.2372 7.5298 7.5298 10.6526 10.6526 12.3077 12.3077 12.5559 12.5559 k = 0.5000 0.2887 0.1313 ( 2934 PWs) bands (ev): -15.1626 -15.1626 -15.1429 -15.1429 -14.1579 -14.1579 -14.1186 -14.1186 -14.0821 -14.0821 -5.6152 -5.6152 -5.1176 -5.1176 -0.5854 -0.5854 2.0023 2.0023 3.9073 3.9073 4.1927 4.1927 5.7508 5.7508 6.2548 6.2548 7.5629 7.5629 10.6237 10.6237 12.3061 12.3061 12.5140 12.5140 k = 0.5000 0.2887 0.1193 ( 2934 PWs) bands (ev): -15.1626 -15.1626 -15.1429 -15.1429 -14.1579 -14.1579 -14.1186 -14.1186 -14.0821 -14.0821 -5.6204 -5.6204 -5.1136 -5.1136 -0.5776 -0.5776 2.0288 2.0288 3.8779 3.8779 4.1682 4.1682 5.7135 5.7135 6.2728 6.2728 7.5986 7.5986 10.5968 10.5968 12.2901 12.2901 12.4707 12.4707 k = 0.5000 0.2887 0.1074 ( 2940 PWs) bands (ev): -15.1626 -15.1626 -15.1429 -15.1429 -14.1579 -14.1579 -14.1186 -14.1186 -14.0821 -14.0821 -5.6253 -5.6253 -5.1098 -5.1098 -0.5700 -0.5700 2.0547 2.0547 3.8487 3.8487 4.1473 4.1473 5.6744 5.6744 6.2905 6.2905 7.6357 7.6357 10.5721 10.5721 12.2668 12.2668 12.4267 12.4267 k = 0.5000 0.2887 0.0955 ( 2940 PWs) bands (ev): -15.1626 -15.1626 -15.1429 -15.1429 -14.1579 -14.1579 -14.1186 -14.1186 -14.0821 -14.0821 -5.6298 -5.6298 -5.1064 -5.1064 -0.5628 -0.5628 2.0795 2.0795 3.8204 3.8204 4.1296 4.1296 5.6350 5.6350 6.3077 6.3077 7.6728 7.6728 10.5498 10.5498 12.2404 12.2404 12.3828 12.3828 k = 0.5000 0.2887 0.0835 ( 2942 PWs) bands (ev): -15.1626 -15.1626 -15.1429 -15.1429 -14.1579 -14.1579 -14.1186 -14.1186 -14.0821 -14.0821 -5.6338 -5.6338 -5.1033 -5.1033 -0.5562 -0.5562 2.1028 2.1028 3.7938 3.7938 4.1148 4.1148 5.5969 5.5969 6.3239 6.3239 7.7086 7.7086 10.5301 10.5301 12.2140 12.2140 12.3400 12.3400 k = 0.5000 0.2887 0.0716 ( 2946 PWs) bands (ev): -15.1626 -15.1626 -15.1429 -15.1429 -14.1579 -14.1579 -14.1186 -14.1186 -14.0821 -14.0821 -5.6375 -5.6375 -5.1005 -5.1005 -0.5502 -0.5502 2.1241 2.1241 3.7696 3.7696 4.1024 4.1024 5.5612 5.5612 6.3386 6.3386 7.7420 7.7420 10.5130 10.5130 12.1893 12.1893 12.2994 12.2994 k = 0.5000 0.2887 0.0597 ( 2942 PWs) bands (ev): -15.1626 -15.1626 -15.1428 -15.1428 -14.1579 -14.1579 -14.1186 -14.1186 -14.0821 -14.0821 -5.6406 -5.6406 -5.0982 -5.0982 -0.5449 -0.5449 2.1430 2.1430 3.7483 3.7483 4.0923 4.0923 5.5292 5.5292 6.3517 6.3517 7.7720 7.7720 10.4985 10.4985 12.1677 12.1677 12.2620 12.2620 k = 0.5000 0.2887 0.0477 ( 2940 PWs) bands (ev): -15.1626 -15.1626 -15.1428 -15.1428 -14.1579 -14.1579 -14.1186 -14.1186 -14.0821 -14.0821 -5.6432 -5.6432 -5.0962 -5.0962 -0.5404 -0.5404 2.1591 2.1591 3.7303 3.7303 4.0842 4.0842 5.5016 5.5016 6.3628 6.3628 7.7979 7.7979 10.4868 10.4868 12.1500 12.1500 12.2289 12.2289 k = 0.5000 0.2887 0.0358 ( 2938 PWs) bands (ev): -15.1626 -15.1626 -15.1428 -15.1428 -14.1578 -14.1578 -14.1186 -14.1186 -14.0821 -14.0821 -5.6452 -5.6452 -5.0947 -5.0947 -0.5368 -0.5368 2.1721 2.1721 3.7160 3.7160 4.0781 4.0781 5.4794 5.4794 6.3716 6.3716 7.8187 7.8187 10.4777 10.4777 12.1368 12.1368 12.2009 12.2009 k = 0.5000 0.2887 0.0239 ( 2944 PWs) bands (ev): -15.1626 -15.1626 -15.1428 -15.1428 -14.1578 -14.1578 -14.1186 -14.1186 -14.0821 -14.0821 -5.6467 -5.6467 -5.0936 -5.0936 -0.5342 -0.5342 2.1815 2.1815 3.7056 3.7056 4.0737 4.0737 5.4630 5.4630 6.3781 6.3781 7.8341 7.8341 10.4712 10.4712 12.1283 12.1283 12.1792 12.1792 k = 0.5000 0.2887 0.0119 ( 2936 PWs) bands (ev): -15.1626 -15.1626 -15.1428 -15.1428 -14.1578 -14.1578 -14.1186 -14.1186 -14.0821 -14.0821 -5.6476 -5.6476 -5.0929 -5.0929 -0.5327 -0.5327 2.1873 2.1873 3.6993 3.6993 4.0711 4.0711 5.4531 5.4531 6.3820 6.3820 7.8434 7.8434 10.4673 10.4673 12.1239 12.1239 12.1650 12.1650 k = 0.5000 0.2887-0.0000 ( 2942 PWs) bands (ev): -15.1626 -15.1626 -15.1428 -15.1428 -14.1578 -14.1578 -14.1186 -14.1186 -14.0821 -14.0821 -5.6479 -5.6479 -5.0927 -5.0927 -0.5321 -0.5321 2.1892 2.1892 3.6972 3.6972 4.0703 4.0703 5.4497 5.4497 6.3833 6.3833 7.8466 7.8466 10.4660 10.4660 12.1228 12.1228 12.1600 12.1600 k = 0.3333 0.5774-0.0000 ( 2946 PWs) bands (ev): -15.1535 -15.1535 -15.1506 -15.1506 -14.1411 -14.1411 -14.1337 -14.1337 -14.0863 -14.0863 -5.1868 -5.1868 -5.1736 -5.1736 -0.8010 -0.8010 2.9516 2.9516 2.9629 2.9629 3.3275 3.3275 5.1224 5.1224 5.1776 5.1776 8.0976 8.0976 13.2126 13.2126 13.4158 13.4158 13.8901 13.8901 k = 0.3333 0.5774 0.0119 ( 2940 PWs) bands (ev): -15.1535 -15.1535 -15.1506 -15.1506 -14.1411 -14.1411 -14.1337 -14.1337 -14.0863 -14.0863 -5.1868 -5.1868 -5.1735 -5.1735 -0.8007 -0.8007 2.9492 2.9492 2.9603 2.9603 3.3260 3.3260 5.1268 5.1268 5.1821 5.1821 8.1012 8.1012 13.2035 13.2035 13.4060 13.4060 13.8857 13.8857 k = 0.3333 0.5774 0.0239 ( 2940 PWs) bands (ev): -15.1535 -15.1535 -15.1506 -15.1506 -14.1411 -14.1411 -14.1337 -14.1337 -14.0863 -14.0863 -5.1866 -5.1866 -5.1734 -5.1734 -0.8000 -0.8000 2.9419 2.9419 2.9529 2.9529 3.3214 3.3214 5.1400 5.1400 5.1954 5.1954 8.1120 8.1120 13.1767 13.1767 13.3770 13.3770 13.8729 13.8729 k = 0.3333 0.5774 0.0358 ( 2940 PWs) bands (ev): -15.1535 -15.1535 -15.1506 -15.1506 -14.1411 -14.1411 -14.1337 -14.1337 -14.0863 -14.0863 -5.1864 -5.1864 -5.1731 -5.1731 -0.7989 -0.7989 2.9300 2.9300 2.9407 2.9407 3.3139 3.3139 5.1615 5.1615 5.2173 5.2173 8.1299 8.1299 13.1332 13.1332 13.3303 13.3303 13.8529 13.8529 k = 0.3333 0.5774 0.0477 ( 2940 PWs) bands (ev): -15.1535 -15.1535 -15.1506 -15.1506 -14.1411 -14.1411 -14.1337 -14.1337 -14.0863 -14.0863 -5.1860 -5.1860 -5.1728 -5.1728 -0.7973 -0.7973 2.9139 2.9139 2.9242 2.9242 3.3037 3.3037 5.1910 5.1910 5.2473 5.2473 8.1546 8.1546 13.0747 13.0747 13.2679 13.2679 13.8269 13.8269 k = 0.3333 0.5774 0.0597 ( 2955 PWs) bands (ev): -15.1535 -15.1535 -15.1506 -15.1506 -14.1411 -14.1411 -14.1337 -14.1337 -14.0863 -14.0863 -5.1856 -5.1856 -5.1723 -5.1723 -0.7953 -0.7953 2.8940 2.8940 2.9039 2.9039 3.2908 3.2908 5.2278 5.2278 5.2847 5.2847 8.1859 8.1859 13.0029 13.0029 13.1922 13.1922 13.7957 13.7957 k = 0.3333 0.5774 0.0716 ( 2955 PWs) bands (ev): -15.1535 -15.1535 -15.1506 -15.1506 -14.1411 -14.1411 -14.1337 -14.1337 -14.0863 -14.0863 -5.1851 -5.1851 -5.1718 -5.1718 -0.7929 -0.7929 2.8710 2.8710 2.8804 2.8804 3.2756 3.2756 5.2712 5.2712 5.3290 5.3290 8.2233 8.2233 12.9201 12.9201 13.1056 13.1056 13.7603 13.7603 k = 0.3333 0.5774 0.0835 ( 2961 PWs) bands (ev): -15.1535 -15.1535 -15.1506 -15.1506 -14.1411 -14.1411 -14.1337 -14.1337 -14.0863 -14.0863 -5.1845 -5.1845 -5.1712 -5.1712 -0.7901 -0.7901 2.8454 2.8454 2.8543 2.8543 3.2584 3.2584 5.3205 5.3205 5.3792 5.3792 8.2666 8.2666 12.8282 12.8282 13.0104 13.0104 13.7212 13.7212 k = 0.3333 0.5774 0.0955 ( 2955 PWs) bands (ev): -15.1535 -15.1535 -15.1506 -15.1506 -14.1411 -14.1411 -14.1337 -14.1337 -14.0863 -14.0863 -5.1838 -5.1838 -5.1705 -5.1705 -0.7870 -0.7870 2.8178 2.8178 2.8263 2.8263 3.2394 3.2394 5.3748 5.3748 5.4347 5.4347 8.3152 8.3152 12.7293 12.7293 12.9087 12.9087 13.6789 13.6789 k = 0.3333 0.5774 0.1074 ( 2949 PWs) bands (ev): -15.1535 -15.1535 -15.1506 -15.1506 -14.1412 -14.1412 -14.1337 -14.1337 -14.0863 -14.0863 -5.1831 -5.1831 -5.1698 -5.1698 -0.7836 -0.7836 2.7887 2.7887 2.7968 2.7968 3.2191 3.2191 5.4333 5.4333 5.4944 5.4944 8.3685 8.3685 12.6250 12.6250 12.8023 12.8023 13.6335 13.6335 k = 0.3333 0.5774 0.1193 ( 2949 PWs) bands (ev): -15.1535 -15.1535 -15.1506 -15.1506 -14.1412 -14.1412 -14.1337 -14.1337 -14.0863 -14.0863 -5.1823 -5.1823 -5.1690 -5.1690 -0.7800 -0.7800 2.7589 2.7589 2.7665 2.7665 3.1977 3.1977 5.4951 5.4951 5.5577 5.5577 8.4260 8.4260 12.5170 12.5170 12.6929 12.6929 13.5855 13.5855 k = 0.3333 0.5774 0.1313 ( 2925 PWs) bands (ev): -15.1535 -15.1535 -15.1506 -15.1506 -14.1412 -14.1412 -14.1337 -14.1337 -14.0863 -14.0863 -5.1815 -5.1815 -5.1682 -5.1682 -0.7762 -0.7762 2.7287 2.7287 2.7359 2.7359 3.1755 3.1755 5.5593 5.5593 5.6237 5.6237 8.4870 8.4870 12.4070 12.4070 12.5819 12.5819 13.5352 13.5352 k = 0.3333 0.5774 0.1432 ( 2925 PWs) bands (ev): -15.1535 -15.1535 -15.1506 -15.1506 -14.1412 -14.1412 -14.1337 -14.1337 -14.0863 -14.0863 -5.1807 -5.1807 -5.1673 -5.1673 -0.7723 -0.7723 2.6986 2.6986 2.7055 2.7055 3.1530 3.1530 5.6253 5.6253 5.6914 5.6914 8.5507 8.5507 12.2962 12.2962 12.4707 12.4707 13.4830 13.4830 k = 0.3333 0.5774 0.1551 ( 2928 PWs) bands (ev): -15.1535 -15.1535 -15.1506 -15.1506 -14.1412 -14.1412 -14.1337 -14.1337 -14.0863 -14.0863 -5.1798 -5.1798 -5.1664 -5.1664 -0.7683 -0.7683 2.6690 2.6690 2.6756 2.6756 3.1303 3.1303 5.6920 5.6920 5.7602 5.7602 8.6165 8.6165 12.1859 12.1859 12.3607 12.3607 13.4292 13.4292 k = 0.3333 0.5774 0.1671 ( 2928 PWs) bands (ev): -15.1535 -15.1535 -15.1506 -15.1506 -14.1412 -14.1412 -14.1337 -14.1337 -14.0863 -14.0863 -5.1790 -5.1790 -5.1656 -5.1656 -0.7642 -0.7642 2.6404 2.6404 2.6467 2.6467 3.1080 3.1080 5.7587 5.7587 5.8290 5.8290 8.6834 8.6834 12.0775 12.0775 12.2529 12.2529 13.3744 13.3744 k = 0.3333 0.5774 0.1790 ( 2934 PWs) bands (ev): -15.1536 -15.1536 -15.1506 -15.1506 -14.1412 -14.1412 -14.1337 -14.1337 -14.0863 -14.0863 -5.1781 -5.1781 -5.1647 -5.1647 -0.7602 -0.7602 2.6130 2.6130 2.6191 2.6191 3.0862 3.0862 5.8245 5.8245 5.8970 5.8970 8.7507 8.7507 11.9721 11.9721 12.1485 12.1485 13.3192 13.3192 k = 0.3333 0.5774 0.1909 ( 2934 PWs) bands (ev): -15.1536 -15.1536 -15.1506 -15.1506 -14.1412 -14.1412 -14.1337 -14.1337 -14.0863 -14.0863 -5.1773 -5.1773 -5.1639 -5.1639 -0.7563 -0.7563 2.5871 2.5871 2.5930 2.5930 3.0653 3.0653 5.8886 5.8886 5.9635 5.9635 8.8174 8.8174 11.8708 11.8708 12.0485 12.0485 13.2641 13.2641 k = 0.3333 0.5774 0.2029 ( 2934 PWs) bands (ev): -15.1536 -15.1536 -15.1506 -15.1506 -14.1412 -14.1412 -14.1337 -14.1337 -14.0863 -14.0863 -5.1765 -5.1765 -5.1631 -5.1631 -0.7526 -0.7526 2.5630 2.5630 2.5687 2.5687 3.0455 3.0455 5.9501 5.9501 6.0273 6.0273 8.8825 8.8825 11.7747 11.7747 11.9541 11.9541 13.2101 13.2101 k = 0.3333 0.5774 0.2148 ( 2952 PWs) bands (ev): -15.1536 -15.1536 -15.1506 -15.1506 -14.1412 -14.1412 -14.1337 -14.1337 -14.0863 -14.0863 -5.1758 -5.1758 -5.1624 -5.1624 -0.7490 -0.7490 2.5409 2.5409 2.5465 2.5465 3.0271 3.0271 6.0082 6.0082 6.0878 6.0878 8.9449 8.9449 11.6849 11.6849 11.8662 11.8662 13.1580 13.1580 k = 0.3333 0.5774 0.2267 ( 2943 PWs) bands (ev): -15.1536 -15.1536 -15.1506 -15.1506 -14.1412 -14.1412 -14.1337 -14.1337 -14.0863 -14.0863 -5.1751 -5.1751 -5.1617 -5.1617 -0.7458 -0.7458 2.5211 2.5211 2.5265 2.5265 3.0104 3.0104 6.0620 6.0620 6.1439 6.1439 9.0036 9.0036 11.6026 11.6026 11.7858 11.7858 13.1086 13.1086 k = 0.3333 0.5774 0.2387 ( 2943 PWs) bands (ev): -15.1536 -15.1536 -15.1506 -15.1506 -14.1412 -14.1412 -14.1337 -14.1337 -14.0863 -14.0863 -5.1745 -5.1745 -5.1611 -5.1611 -0.7428 -0.7428 2.5035 2.5035 2.5088 2.5088 2.9954 2.9954 6.1107 6.1107 6.1948 6.1948 9.0575 9.0575 11.5286 11.5286 11.7138 11.7138 13.0630 13.0630 k = 0.3333 0.5774 0.2506 ( 2949 PWs) bands (ev): -15.1536 -15.1536 -15.1506 -15.1506 -14.1413 -14.1413 -14.1337 -14.1337 -14.0863 -14.0863 -5.1740 -5.1740 -5.1605 -5.1605 -0.7402 -0.7402 2.4885 2.4885 2.4937 2.4937 2.9824 2.9824 6.1535 6.1535 6.2396 6.2396 9.1055 9.1055 11.4641 11.4641 11.6512 11.6512 13.0222 13.0222 k = 0.3333 0.5774 0.2625 ( 2949 PWs) bands (ev): -15.1536 -15.1536 -15.1506 -15.1506 -14.1413 -14.1413 -14.1337 -14.1337 -14.0863 -14.0863 -5.1735 -5.1735 -5.1601 -5.1601 -0.7381 -0.7381 2.4760 2.4760 2.4812 2.4812 2.9716 2.9716 6.1897 6.1897 6.2776 6.2776 9.1465 9.1465 11.4099 11.4099 11.5987 11.5987 12.9871 12.9871 k = 0.3333 0.5774 0.2745 ( 2949 PWs) bands (ev): -15.1536 -15.1536 -15.1506 -15.1506 -14.1413 -14.1413 -14.1337 -14.1337 -14.0863 -14.0863 -5.1732 -5.1732 -5.1597 -5.1597 -0.7363 -0.7363 2.4663 2.4663 2.4714 2.4714 2.9630 2.9630 6.2185 6.2185 6.3079 6.3079 9.1796 9.1796 11.3667 11.3667 11.5571 11.5571 12.9587 12.9587 k = 0.3333 0.5774 0.2864 ( 2955 PWs) bands (ev): -15.1536 -15.1536 -15.1506 -15.1506 -14.1413 -14.1413 -14.1337 -14.1337 -14.0863 -14.0863 -5.1729 -5.1729 -5.1595 -5.1595 -0.7351 -0.7351 2.4592 2.4592 2.4643 2.4643 2.9569 2.9569 6.2395 6.2395 6.3300 6.3300 9.2039 9.2039 11.3354 11.3354 11.5270 11.5270 12.9378 12.9378 k = 0.3333 0.5774 0.2983 ( 2940 PWs) bands (ev): -15.1536 -15.1536 -15.1506 -15.1506 -14.1413 -14.1413 -14.1337 -14.1337 -14.0863 -14.0863 -5.1728 -5.1728 -5.1593 -5.1593 -0.7343 -0.7343 2.4550 2.4550 2.4600 2.4600 2.9531 2.9531 6.2523 6.2523 6.3435 6.3435 9.2187 9.2187 11.3164 11.3164 11.5087 11.5087 12.9250 12.9250 k = 0.3333 0.5774 0.3103 ( 2946 PWs) bands (ev): -15.1536 -15.1536 -15.1506 -15.1506 -14.1413 -14.1413 -14.1337 -14.1337 -14.0863 -14.0863 -5.1727 -5.1727 -5.1593 -5.1593 -0.7341 -0.7341 2.4536 2.4536 2.4586 2.4586 2.9519 2.9519 6.2566 6.2566 6.3480 6.3480 9.2237 9.2237 11.3100 11.3100 11.5025 11.5025 12.9207 12.9207 Writing output data file SnSe2.save init_run : 0.14s CPU 0.24s WALL ( 1 calls) electrons : 49.42s CPU 50.68s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 49.42s CPU 50.67s 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 : 0.03s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 349 calls) cegterg : 45.27s CPU 46.14s WALL ( 360 calls) Called by sum_band: Called by *egterg: h_psi : 22.98s CPU 24.09s WALL ( 5886 calls) s_psi : 0.87s CPU 0.83s WALL ( 5886 calls) g_psi : 0.10s CPU 0.09s WALL ( 5177 calls) cdiaghg : 19.77s CPU 19.46s WALL ( 5526 calls) cegterg:over : 1.78s CPU 1.83s WALL ( 5177 calls) cegterg:upda : 1.22s CPU 1.29s WALL ( 5177 calls) cegterg:last : 0.75s CPU 0.92s WALL ( 1058 calls) cdiaghg:chol : 0.90s CPU 1.01s WALL ( 5526 calls) cdiaghg:inve : 0.46s CPU 0.46s WALL ( 5526 calls) cdiaghg:para : 1.10s CPU 1.19s WALL ( 11052 calls) Called by h_psi: h_psi:vloc : 20.67s CPU 21.79s WALL ( 5886 calls) h_psi:vnl : 2.29s CPU 2.26s WALL ( 5886 calls) add_vuspsi : 1.18s CPU 1.06s WALL ( 5886 calls) General routines calbec : 1.08s CPU 1.18s WALL ( 5886 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 19.17s CPU 20.30s WALL ( 428360 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.17s WALL ( 698 calls) Parallel routines fft_scatter : 9.62s CPU 10.28s WALL ( 428383 calls) PWSCF : 0m59.47s CPU 1m19.90s WALL This run was terminated on: 21:14:35 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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