Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 1:19 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: ./O2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 19 11 3 1131 495 85 Max 20 12 4 1142 514 98 Sum 717 421 137 40985 18181 3325 bravais-lattice index = 14 lattice parameter (alat) = 5.2808 a.u. unit-cell volume = 417.0580 (a.u.)^3 number of atoms/cell = 1 number of atomic types = 1 number of electrons = 6.00 number of Kohn-Sham states= 14 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.280813 celldm(2)= 1.000000 celldm(3)= 2.832006 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 2.832006 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.353107 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 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 1095 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 O 6.00 15.99940 O( 1.00) 16 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(10) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 457 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021882 k( 2) = ( 0.0000000 0.0087719 -0.0000000), wk = 0.0021882 k( 3) = ( 0.0000000 0.0175439 -0.0000000), wk = 0.0021882 k( 4) = ( 0.0000000 0.0263158 -0.0000000), wk = 0.0021882 k( 5) = ( 0.0000000 0.0350877 -0.0000000), wk = 0.0021882 k( 6) = ( 0.0000000 0.0438597 -0.0000000), wk = 0.0021882 k( 7) = ( 0.0000000 0.0526316 -0.0000000), wk = 0.0021882 k( 8) = ( 0.0000000 0.0614035 -0.0000000), wk = 0.0021882 k( 9) = ( 0.0000000 0.0701754 -0.0000000), wk = 0.0021882 k( 10) = ( 0.0000000 0.0789474 -0.0000000), wk = 0.0021882 k( 11) = ( 0.0000000 0.0877193 -0.0000000), wk = 0.0021882 k( 12) = ( 0.0000000 0.0964912 -0.0000000), wk = 0.0021882 k( 13) = ( 0.0000000 0.1052632 -0.0000000), wk = 0.0021882 k( 14) = ( 0.0000000 0.1140351 -0.0000000), wk = 0.0021882 k( 15) = ( 0.0000000 0.1228070 -0.0000000), wk = 0.0021882 k( 16) = ( 0.0000000 0.1315790 -0.0000000), wk = 0.0021882 k( 17) = ( 0.0000000 0.1403509 -0.0000000), wk = 0.0021882 k( 18) = ( 0.0000000 0.1491228 -0.0000000), wk = 0.0021882 k( 19) = ( 0.0000000 0.1578947 -0.0000000), wk = 0.0021882 k( 20) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0021882 k( 21) = ( 0.0000000 0.1754386 -0.0000000), wk = 0.0021882 k( 22) = ( 0.0000000 0.1842105 -0.0000000), wk = 0.0021882 k( 23) = ( 0.0000000 0.1929825 -0.0000000), wk = 0.0021882 k( 24) = ( 0.0000000 0.2017544 -0.0000000), wk = 0.0021882 k( 25) = ( 0.0000000 0.2105263 -0.0000000), wk = 0.0021882 k( 26) = ( 0.0000000 0.2192983 -0.0000000), wk = 0.0021882 k( 27) = ( 0.0000000 0.2280702 -0.0000000), wk = 0.0021882 k( 28) = ( 0.0000000 0.2368421 -0.0000000), wk = 0.0021882 k( 29) = ( 0.0000000 0.2456140 -0.0000000), wk = 0.0021882 k( 30) = ( 0.0000000 0.2543860 -0.0000000), wk = 0.0021882 k( 31) = ( 0.0000000 0.2631579 -0.0000000), wk = 0.0021882 k( 32) = ( 0.0000000 0.2719298 -0.0000000), wk = 0.0021882 k( 33) = ( 0.0000000 0.2807018 -0.0000000), wk = 0.0021882 k( 34) = ( 0.0000000 0.2894737 -0.0000000), wk = 0.0021882 k( 35) = ( 0.0000000 0.2982456 -0.0000000), wk = 0.0021882 k( 36) = ( 0.0000000 0.3070175 -0.0000000), wk = 0.0021882 k( 37) = ( 0.0000000 0.3157895 -0.0000000), wk = 0.0021882 k( 38) = ( 0.0000000 0.3245614 -0.0000000), wk = 0.0021882 k( 39) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0021882 k( 40) = ( 0.0000000 0.3421053 -0.0000000), wk = 0.0021882 k( 41) = ( 0.0000000 0.3508772 -0.0000000), wk = 0.0021882 k( 42) = ( 0.0000000 0.3596491 -0.0000000), wk = 0.0021882 k( 43) = ( 0.0000000 0.3684211 -0.0000000), wk = 0.0021882 k( 44) = ( 0.0000000 0.3771930 -0.0000000), wk = 0.0021882 k( 45) = ( 0.0000000 0.3859649 -0.0000000), wk = 0.0021882 k( 46) = ( 0.0000000 0.3947368 -0.0000000), wk = 0.0021882 k( 47) = ( 0.0000000 0.4035088 -0.0000000), wk = 0.0021882 k( 48) = ( 0.0000000 0.4122807 -0.0000000), wk = 0.0021882 k( 49) = ( 0.0000000 0.4210526 -0.0000000), wk = 0.0021882 k( 50) = ( 0.0000000 0.4298246 -0.0000000), wk = 0.0021882 k( 51) = ( 0.0000000 0.4385965 -0.0000000), wk = 0.0021882 k( 52) = ( 0.0000000 0.4473684 -0.0000000), wk = 0.0021882 k( 53) = ( 0.0000000 0.4561404 -0.0000000), wk = 0.0021882 k( 54) = ( 0.0000000 0.4649123 -0.0000000), wk = 0.0021882 k( 55) = ( 0.0000000 0.4736842 -0.0000000), wk = 0.0021882 k( 56) = ( 0.0000000 0.4824561 -0.0000000), wk = 0.0021882 k( 57) = ( 0.0000000 0.4912281 -0.0000000), wk = 0.0021882 k( 58) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021882 k( 59) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021882 k( 60) = ( 0.0087719 0.5000000 -0.0000000), wk = 0.0021882 k( 61) = ( 0.0175439 0.5000000 -0.0000000), wk = 0.0021882 k( 62) = ( 0.0263158 0.5000000 -0.0000000), wk = 0.0021882 k( 63) = ( 0.0350877 0.5000000 -0.0000000), wk = 0.0021882 k( 64) = ( 0.0438597 0.5000000 -0.0000000), wk = 0.0021882 k( 65) = ( 0.0526316 0.5000000 -0.0000000), wk = 0.0021882 k( 66) = ( 0.0614035 0.5000000 -0.0000000), wk = 0.0021882 k( 67) = ( 0.0701754 0.5000000 -0.0000000), wk = 0.0021882 k( 68) = ( 0.0789474 0.5000000 -0.0000000), wk = 0.0021882 k( 69) = ( 0.0877193 0.5000000 -0.0000000), wk = 0.0021882 k( 70) = ( 0.0964912 0.5000000 -0.0000000), wk = 0.0021882 k( 71) = ( 0.1052632 0.5000000 -0.0000000), wk = 0.0021882 k( 72) = ( 0.1140351 0.5000000 -0.0000000), wk = 0.0021882 k( 73) = ( 0.1228070 0.5000000 -0.0000000), wk = 0.0021882 k( 74) = ( 0.1315790 0.5000000 -0.0000000), wk = 0.0021882 k( 75) = ( 0.1403509 0.5000000 -0.0000000), wk = 0.0021882 k( 76) = ( 0.1491228 0.5000000 -0.0000000), wk = 0.0021882 k( 77) = ( 0.1578947 0.5000000 -0.0000000), wk = 0.0021882 k( 78) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0021882 k( 79) = ( 0.1754386 0.5000000 -0.0000000), wk = 0.0021882 k( 80) = ( 0.1842105 0.5000000 -0.0000000), wk = 0.0021882 k( 81) = ( 0.1929825 0.5000000 -0.0000000), wk = 0.0021882 k( 82) = ( 0.2017544 0.5000000 -0.0000000), wk = 0.0021882 k( 83) = ( 0.2105263 0.5000000 -0.0000000), wk = 0.0021882 k( 84) = ( 0.2192983 0.5000000 -0.0000000), wk = 0.0021882 k( 85) = ( 0.2280702 0.5000000 -0.0000000), wk = 0.0021882 k( 86) = ( 0.2368421 0.5000000 -0.0000000), wk = 0.0021882 k( 87) = ( 0.2456140 0.5000000 -0.0000000), wk = 0.0021882 k( 88) = ( 0.2543860 0.5000000 -0.0000000), wk = 0.0021882 k( 89) = ( 0.2631579 0.5000000 -0.0000000), wk = 0.0021882 k( 90) = ( 0.2719298 0.5000000 -0.0000000), wk = 0.0021882 k( 91) = ( 0.2807018 0.5000000 -0.0000000), wk = 0.0021882 k( 92) = ( 0.2894737 0.5000000 -0.0000000), wk = 0.0021882 k( 93) = ( 0.2982456 0.5000000 -0.0000000), wk = 0.0021882 k( 94) = ( 0.3070175 0.5000000 -0.0000000), wk = 0.0021882 k( 95) = ( 0.3157895 0.5000000 -0.0000000), wk = 0.0021882 k( 96) = ( 0.3245614 0.5000000 -0.0000000), wk = 0.0021882 k( 97) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0021882 k( 98) = ( 0.3421053 0.5000000 -0.0000000), wk = 0.0021882 k( 99) = ( 0.3508772 0.5000000 -0.0000000), wk = 0.0021882 k( 100) = ( 0.3596491 0.5000000 -0.0000000), wk = 0.0021882 k( 101) = ( 0.3684211 0.5000000 -0.0000000), wk = 0.0021882 k( 102) = ( 0.3771930 0.5000000 -0.0000000), wk = 0.0021882 k( 103) = ( 0.3859649 0.5000000 -0.0000000), wk = 0.0021882 k( 104) = ( 0.3947368 0.5000000 -0.0000000), wk = 0.0021882 k( 105) = ( 0.4035088 0.5000000 -0.0000000), wk = 0.0021882 k( 106) = ( 0.4122807 0.5000000 -0.0000000), wk = 0.0021882 k( 107) = ( 0.4210526 0.5000000 -0.0000000), wk = 0.0021882 k( 108) = ( 0.4298246 0.5000000 -0.0000000), wk = 0.0021882 k( 109) = ( 0.4385965 0.5000000 -0.0000000), wk = 0.0021882 k( 110) = ( 0.4473684 0.5000000 -0.0000000), wk = 0.0021882 k( 111) = ( 0.4561404 0.5000000 -0.0000000), wk = 0.0021882 k( 112) = ( 0.4649123 0.5000000 -0.0000000), wk = 0.0021882 k( 113) = ( 0.4736842 0.5000000 -0.0000000), wk = 0.0021882 k( 114) = ( 0.4824561 0.5000000 -0.0000000), wk = 0.0021882 k( 115) = ( 0.4912281 0.5000000 -0.0000000), wk = 0.0021882 k( 116) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0021882 k( 117) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0021882 k( 118) = ( 0.4937500 0.4937500 -0.0000000), wk = 0.0021882 k( 119) = ( 0.4875000 0.4875000 -0.0000000), wk = 0.0021882 k( 120) = ( 0.4812500 0.4812500 -0.0000000), wk = 0.0021882 k( 121) = ( 0.4750000 0.4750000 -0.0000000), wk = 0.0021882 k( 122) = ( 0.4687500 0.4687500 -0.0000000), wk = 0.0021882 k( 123) = ( 0.4625000 0.4625000 -0.0000000), wk = 0.0021882 k( 124) = ( 0.4562500 0.4562500 -0.0000000), wk = 0.0021882 k( 125) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0021882 k( 126) = ( 0.4437500 0.4437500 -0.0000000), wk = 0.0021882 k( 127) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0021882 k( 128) = ( 0.4312500 0.4312500 -0.0000000), wk = 0.0021882 k( 129) = ( 0.4250000 0.4250000 -0.0000000), wk = 0.0021882 k( 130) = ( 0.4187500 0.4187500 -0.0000000), wk = 0.0021882 k( 131) = ( 0.4125000 0.4125000 -0.0000000), wk = 0.0021882 k( 132) = ( 0.4062500 0.4062500 -0.0000000), wk = 0.0021882 k( 133) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0021882 k( 134) = ( 0.3937500 0.3937500 -0.0000000), wk = 0.0021882 k( 135) = ( 0.3875000 0.3875000 -0.0000000), wk = 0.0021882 k( 136) = ( 0.3812500 0.3812500 -0.0000000), wk = 0.0021882 k( 137) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0021882 k( 138) = ( 0.3687500 0.3687500 -0.0000000), wk = 0.0021882 k( 139) = ( 0.3625000 0.3625000 -0.0000000), wk = 0.0021882 k( 140) = ( 0.3562500 0.3562500 -0.0000000), wk = 0.0021882 k( 141) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0021882 k( 142) = ( 0.3437500 0.3437500 -0.0000000), wk = 0.0021882 k( 143) = ( 0.3375000 0.3375000 -0.0000000), wk = 0.0021882 k( 144) = ( 0.3312500 0.3312500 -0.0000000), wk = 0.0021882 k( 145) = ( 0.3250000 0.3250000 -0.0000000), wk = 0.0021882 k( 146) = ( 0.3187500 0.3187500 -0.0000000), wk = 0.0021882 k( 147) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0021882 k( 148) = ( 0.3062500 0.3062500 -0.0000000), wk = 0.0021882 k( 149) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0021882 k( 150) = ( 0.2937500 0.2937500 -0.0000000), wk = 0.0021882 k( 151) = ( 0.2875000 0.2875000 -0.0000000), wk = 0.0021882 k( 152) = ( 0.2812500 0.2812500 -0.0000000), wk = 0.0021882 k( 153) = ( 0.2750000 0.2750000 -0.0000000), wk = 0.0021882 k( 154) = ( 0.2687500 0.2687500 -0.0000000), wk = 0.0021882 k( 155) = ( 0.2625000 0.2625000 -0.0000000), wk = 0.0021882 k( 156) = ( 0.2562500 0.2562500 -0.0000000), wk = 0.0021882 k( 157) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0021882 k( 158) = ( 0.2437500 0.2437500 -0.0000000), wk = 0.0021882 k( 159) = ( 0.2375000 0.2375000 -0.0000000), wk = 0.0021882 k( 160) = ( 0.2312500 0.2312500 -0.0000000), wk = 0.0021882 k( 161) = ( 0.2250000 0.2250000 -0.0000000), wk = 0.0021882 k( 162) = ( 0.2187500 0.2187500 -0.0000000), wk = 0.0021882 k( 163) = ( 0.2125000 0.2125000 -0.0000000), wk = 0.0021882 k( 164) = ( 0.2062500 0.2062500 -0.0000000), wk = 0.0021882 k( 165) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0021882 k( 166) = ( 0.1937500 0.1937500 -0.0000000), wk = 0.0021882 k( 167) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0021882 k( 168) = ( 0.1812500 0.1812500 -0.0000000), wk = 0.0021882 k( 169) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0021882 k( 170) = ( 0.1687500 0.1687500 -0.0000000), wk = 0.0021882 k( 171) = ( 0.1625000 0.1625000 -0.0000000), wk = 0.0021882 k( 172) = ( 0.1562500 0.1562500 -0.0000000), wk = 0.0021882 k( 173) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0021882 k( 174) = ( 0.1437500 0.1437500 -0.0000000), wk = 0.0021882 k( 175) = ( 0.1375000 0.1375000 -0.0000000), wk = 0.0021882 k( 176) = ( 0.1312500 0.1312500 -0.0000000), wk = 0.0021882 k( 177) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0021882 k( 178) = ( 0.1187500 0.1187500 -0.0000000), wk = 0.0021882 k( 179) = ( 0.1125000 0.1125000 -0.0000000), wk = 0.0021882 k( 180) = ( 0.1062500 0.1062500 -0.0000000), wk = 0.0021882 k( 181) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0021882 k( 182) = ( 0.0937500 0.0937500 -0.0000000), wk = 0.0021882 k( 183) = ( 0.0875000 0.0875000 -0.0000000), wk = 0.0021882 k( 184) = ( 0.0812500 0.0812500 -0.0000000), wk = 0.0021882 k( 185) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0021882 k( 186) = ( 0.0687500 0.0687500 -0.0000000), wk = 0.0021882 k( 187) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0021882 k( 188) = ( 0.0562500 0.0562500 -0.0000000), wk = 0.0021882 k( 189) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0021882 k( 190) = ( 0.0437500 0.0437500 -0.0000000), wk = 0.0021882 k( 191) = ( 0.0375000 0.0375000 -0.0000000), wk = 0.0021882 k( 192) = ( 0.0312500 0.0312500 -0.0000000), wk = 0.0021882 k( 193) = ( 0.0250000 0.0250000 -0.0000000), wk = 0.0021882 k( 194) = ( 0.0187500 0.0187500 -0.0000000), wk = 0.0021882 k( 195) = ( 0.0125000 0.0125000 -0.0000000), wk = 0.0021882 k( 196) = ( 0.0062500 0.0062500 -0.0000000), wk = 0.0021882 k( 197) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021882 k( 198) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021882 k( 199) = ( 0.0000000 0.0000000 0.0088277), wk = 0.0021882 k( 200) = ( 0.0000000 0.0000000 0.0176553), wk = 0.0021882 k( 201) = ( 0.0000000 0.0000000 0.0264830), wk = 0.0021882 k( 202) = ( 0.0000000 0.0000000 0.0353107), wk = 0.0021882 k( 203) = ( 0.0000000 0.0000000 0.0441383), wk = 0.0021882 k( 204) = ( 0.0000000 0.0000000 0.0529660), wk = 0.0021882 k( 205) = ( 0.0000000 0.0000000 0.0617937), wk = 0.0021882 k( 206) = ( 0.0000000 0.0000000 0.0706213), wk = 0.0021882 k( 207) = ( 0.0000000 0.0000000 0.0794490), wk = 0.0021882 k( 208) = ( 0.0000000 0.0000000 0.0882767), wk = 0.0021882 k( 209) = ( 0.0000000 0.0000000 0.0971043), wk = 0.0021882 k( 210) = ( 0.0000000 0.0000000 0.1059320), wk = 0.0021882 k( 211) = ( 0.0000000 0.0000000 0.1147597), wk = 0.0021882 k( 212) = ( 0.0000000 0.0000000 0.1235873), wk = 0.0021882 k( 213) = ( 0.0000000 0.0000000 0.1324150), wk = 0.0021882 k( 214) = ( 0.0000000 0.0000000 0.1412427), wk = 0.0021882 k( 215) = ( 0.0000000 0.0000000 0.1500703), wk = 0.0021882 k( 216) = ( 0.0000000 0.0000000 0.1588980), wk = 0.0021882 k( 217) = ( 0.0000000 0.0000000 0.1677257), wk = 0.0021882 k( 218) = ( 0.0000000 0.0000000 0.1765533), wk = 0.0021882 k( 219) = ( 0.0000000 0.0000000 0.1765533), wk = 0.0021882 k( 220) = ( 0.0000000 0.0087719 0.1765533), wk = 0.0021882 k( 221) = ( 0.0000000 0.0175439 0.1765533), wk = 0.0021882 k( 222) = ( 0.0000000 0.0263158 0.1765533), wk = 0.0021882 k( 223) = ( 0.0000000 0.0350877 0.1765533), wk = 0.0021882 k( 224) = ( 0.0000000 0.0438597 0.1765533), wk = 0.0021882 k( 225) = ( 0.0000000 0.0526316 0.1765533), wk = 0.0021882 k( 226) = ( 0.0000000 0.0614035 0.1765533), wk = 0.0021882 k( 227) = ( 0.0000000 0.0701754 0.1765533), wk = 0.0021882 k( 228) = ( 0.0000000 0.0789474 0.1765533), wk = 0.0021882 k( 229) = ( 0.0000000 0.0877193 0.1765533), wk = 0.0021882 k( 230) = ( 0.0000000 0.0964912 0.1765533), wk = 0.0021882 k( 231) = ( 0.0000000 0.1052632 0.1765533), wk = 0.0021882 k( 232) = ( 0.0000000 0.1140351 0.1765533), wk = 0.0021882 k( 233) = ( 0.0000000 0.1228070 0.1765533), wk = 0.0021882 k( 234) = ( 0.0000000 0.1315790 0.1765533), wk = 0.0021882 k( 235) = ( 0.0000000 0.1403509 0.1765533), wk = 0.0021882 k( 236) = ( 0.0000000 0.1491228 0.1765533), wk = 0.0021882 k( 237) = ( 0.0000000 0.1578947 0.1765533), wk = 0.0021882 k( 238) = ( 0.0000000 0.1666667 0.1765533), wk = 0.0021882 k( 239) = ( 0.0000000 0.1754386 0.1765533), wk = 0.0021882 k( 240) = ( 0.0000000 0.1842105 0.1765533), wk = 0.0021882 k( 241) = ( 0.0000000 0.1929825 0.1765533), wk = 0.0021882 k( 242) = ( 0.0000000 0.2017544 0.1765533), wk = 0.0021882 k( 243) = ( 0.0000000 0.2105263 0.1765533), wk = 0.0021882 k( 244) = ( 0.0000000 0.2192983 0.1765533), wk = 0.0021882 k( 245) = ( 0.0000000 0.2280702 0.1765533), wk = 0.0021882 k( 246) = ( 0.0000000 0.2368421 0.1765533), wk = 0.0021882 k( 247) = ( 0.0000000 0.2456140 0.1765533), wk = 0.0021882 k( 248) = ( 0.0000000 0.2543860 0.1765533), wk = 0.0021882 k( 249) = ( 0.0000000 0.2631579 0.1765533), wk = 0.0021882 k( 250) = ( 0.0000000 0.2719298 0.1765533), wk = 0.0021882 k( 251) = ( 0.0000000 0.2807018 0.1765533), wk = 0.0021882 k( 252) = ( 0.0000000 0.2894737 0.1765533), wk = 0.0021882 k( 253) = ( 0.0000000 0.2982456 0.1765533), wk = 0.0021882 k( 254) = ( 0.0000000 0.3070175 0.1765533), wk = 0.0021882 k( 255) = ( 0.0000000 0.3157895 0.1765533), wk = 0.0021882 k( 256) = ( 0.0000000 0.3245614 0.1765533), wk = 0.0021882 k( 257) = ( 0.0000000 0.3333333 0.1765533), wk = 0.0021882 k( 258) = ( 0.0000000 0.3421053 0.1765533), wk = 0.0021882 k( 259) = ( 0.0000000 0.3508772 0.1765533), wk = 0.0021882 k( 260) = ( 0.0000000 0.3596491 0.1765533), wk = 0.0021882 k( 261) = ( 0.0000000 0.3684211 0.1765533), wk = 0.0021882 k( 262) = ( 0.0000000 0.3771930 0.1765533), wk = 0.0021882 k( 263) = ( 0.0000000 0.3859649 0.1765533), wk = 0.0021882 k( 264) = ( 0.0000000 0.3947368 0.1765533), wk = 0.0021882 k( 265) = ( 0.0000000 0.4035088 0.1765533), wk = 0.0021882 k( 266) = ( 0.0000000 0.4122807 0.1765533), wk = 0.0021882 k( 267) = ( 0.0000000 0.4210526 0.1765533), wk = 0.0021882 k( 268) = ( 0.0000000 0.4298246 0.1765533), wk = 0.0021882 k( 269) = ( 0.0000000 0.4385965 0.1765533), wk = 0.0021882 k( 270) = ( 0.0000000 0.4473684 0.1765533), wk = 0.0021882 k( 271) = ( 0.0000000 0.4561404 0.1765533), wk = 0.0021882 k( 272) = ( 0.0000000 0.4649123 0.1765533), wk = 0.0021882 k( 273) = ( 0.0000000 0.4736842 0.1765533), wk = 0.0021882 k( 274) = ( 0.0000000 0.4824561 0.1765533), wk = 0.0021882 k( 275) = ( 0.0000000 0.4912281 0.1765533), wk = 0.0021882 k( 276) = ( 0.0000000 0.5000000 0.1765533), wk = 0.0021882 k( 277) = ( 0.0000000 0.5000000 0.1765533), wk = 0.0021882 k( 278) = ( 0.0087719 0.5000000 0.1765533), wk = 0.0021882 k( 279) = ( 0.0175439 0.5000000 0.1765533), wk = 0.0021882 k( 280) = ( 0.0263158 0.5000000 0.1765533), wk = 0.0021882 k( 281) = ( 0.0350877 0.5000000 0.1765533), wk = 0.0021882 k( 282) = ( 0.0438597 0.5000000 0.1765533), wk = 0.0021882 k( 283) = ( 0.0526316 0.5000000 0.1765533), wk = 0.0021882 k( 284) = ( 0.0614035 0.5000000 0.1765533), wk = 0.0021882 k( 285) = ( 0.0701754 0.5000000 0.1765533), wk = 0.0021882 k( 286) = ( 0.0789474 0.5000000 0.1765533), wk = 0.0021882 k( 287) = ( 0.0877193 0.5000000 0.1765533), wk = 0.0021882 k( 288) = ( 0.0964912 0.5000000 0.1765533), wk = 0.0021882 k( 289) = ( 0.1052632 0.5000000 0.1765533), wk = 0.0021882 k( 290) = ( 0.1140351 0.5000000 0.1765533), wk = 0.0021882 k( 291) = ( 0.1228070 0.5000000 0.1765533), wk = 0.0021882 k( 292) = ( 0.1315790 0.5000000 0.1765533), wk = 0.0021882 k( 293) = ( 0.1403509 0.5000000 0.1765533), wk = 0.0021882 k( 294) = ( 0.1491228 0.5000000 0.1765533), wk = 0.0021882 k( 295) = ( 0.1578947 0.5000000 0.1765533), wk = 0.0021882 k( 296) = ( 0.1666667 0.5000000 0.1765533), wk = 0.0021882 k( 297) = ( 0.1754386 0.5000000 0.1765533), wk = 0.0021882 k( 298) = ( 0.1842105 0.5000000 0.1765533), wk = 0.0021882 k( 299) = ( 0.1929825 0.5000000 0.1765533), wk = 0.0021882 k( 300) = ( 0.2017544 0.5000000 0.1765533), wk = 0.0021882 k( 301) = ( 0.2105263 0.5000000 0.1765533), wk = 0.0021882 k( 302) = ( 0.2192983 0.5000000 0.1765533), wk = 0.0021882 k( 303) = ( 0.2280702 0.5000000 0.1765533), wk = 0.0021882 k( 304) = ( 0.2368421 0.5000000 0.1765533), wk = 0.0021882 k( 305) = ( 0.2456140 0.5000000 0.1765533), wk = 0.0021882 k( 306) = ( 0.2543860 0.5000000 0.1765533), wk = 0.0021882 k( 307) = ( 0.2631579 0.5000000 0.1765533), wk = 0.0021882 k( 308) = ( 0.2719298 0.5000000 0.1765533), wk = 0.0021882 k( 309) = ( 0.2807018 0.5000000 0.1765533), wk = 0.0021882 k( 310) = ( 0.2894737 0.5000000 0.1765533), wk = 0.0021882 k( 311) = ( 0.2982456 0.5000000 0.1765533), wk = 0.0021882 k( 312) = ( 0.3070175 0.5000000 0.1765533), wk = 0.0021882 k( 313) = ( 0.3157895 0.5000000 0.1765533), wk = 0.0021882 k( 314) = ( 0.3245614 0.5000000 0.1765533), wk = 0.0021882 k( 315) = ( 0.3333333 0.5000000 0.1765533), wk = 0.0021882 k( 316) = ( 0.3421053 0.5000000 0.1765533), wk = 0.0021882 k( 317) = ( 0.3508772 0.5000000 0.1765533), wk = 0.0021882 k( 318) = ( 0.3596491 0.5000000 0.1765533), wk = 0.0021882 k( 319) = ( 0.3684211 0.5000000 0.1765533), wk = 0.0021882 k( 320) = ( 0.3771930 0.5000000 0.1765533), wk = 0.0021882 k( 321) = ( 0.3859649 0.5000000 0.1765533), wk = 0.0021882 k( 322) = ( 0.3947368 0.5000000 0.1765533), wk = 0.0021882 k( 323) = ( 0.4035088 0.5000000 0.1765533), wk = 0.0021882 k( 324) = ( 0.4122807 0.5000000 0.1765533), wk = 0.0021882 k( 325) = ( 0.4210526 0.5000000 0.1765533), wk = 0.0021882 k( 326) = ( 0.4298246 0.5000000 0.1765533), wk = 0.0021882 k( 327) = ( 0.4385965 0.5000000 0.1765533), wk = 0.0021882 k( 328) = ( 0.4473684 0.5000000 0.1765533), wk = 0.0021882 k( 329) = ( 0.4561404 0.5000000 0.1765533), wk = 0.0021882 k( 330) = ( 0.4649123 0.5000000 0.1765533), wk = 0.0021882 k( 331) = ( 0.4736842 0.5000000 0.1765533), wk = 0.0021882 k( 332) = ( 0.4824561 0.5000000 0.1765533), wk = 0.0021882 k( 333) = ( 0.4912281 0.5000000 0.1765533), wk = 0.0021882 k( 334) = ( 0.5000000 0.5000000 0.1765533), wk = 0.0021882 k( 335) = ( 0.5000000 0.5000000 0.1765533), wk = 0.0021882 k( 336) = ( 0.4937500 0.4937500 0.1765533), wk = 0.0021882 k( 337) = ( 0.4875000 0.4875000 0.1765533), wk = 0.0021882 k( 338) = ( 0.4812500 0.4812500 0.1765533), wk = 0.0021882 k( 339) = ( 0.4750000 0.4750000 0.1765533), wk = 0.0021882 k( 340) = ( 0.4687500 0.4687500 0.1765533), wk = 0.0021882 k( 341) = ( 0.4625000 0.4625000 0.1765533), wk = 0.0021882 k( 342) = ( 0.4562500 0.4562500 0.1765533), wk = 0.0021882 k( 343) = ( 0.4500000 0.4500000 0.1765533), wk = 0.0021882 k( 344) = ( 0.4437500 0.4437500 0.1765533), wk = 0.0021882 k( 345) = ( 0.4375000 0.4375000 0.1765533), wk = 0.0021882 k( 346) = ( 0.4312500 0.4312500 0.1765533), wk = 0.0021882 k( 347) = ( 0.4250000 0.4250000 0.1765533), wk = 0.0021882 k( 348) = ( 0.4187500 0.4187500 0.1765533), wk = 0.0021882 k( 349) = ( 0.4125000 0.4125000 0.1765533), wk = 0.0021882 k( 350) = ( 0.4062500 0.4062500 0.1765533), wk = 0.0021882 k( 351) = ( 0.4000000 0.4000000 0.1765533), wk = 0.0021882 k( 352) = ( 0.3937500 0.3937500 0.1765533), wk = 0.0021882 k( 353) = ( 0.3875000 0.3875000 0.1765533), wk = 0.0021882 k( 354) = ( 0.3812500 0.3812500 0.1765533), wk = 0.0021882 k( 355) = ( 0.3750000 0.3750000 0.1765533), wk = 0.0021882 k( 356) = ( 0.3687500 0.3687500 0.1765533), wk = 0.0021882 k( 357) = ( 0.3625000 0.3625000 0.1765533), wk = 0.0021882 k( 358) = ( 0.3562500 0.3562500 0.1765533), wk = 0.0021882 k( 359) = ( 0.3500000 0.3500000 0.1765533), wk = 0.0021882 k( 360) = ( 0.3437500 0.3437500 0.1765533), wk = 0.0021882 k( 361) = ( 0.3375000 0.3375000 0.1765533), wk = 0.0021882 k( 362) = ( 0.3312500 0.3312500 0.1765533), wk = 0.0021882 k( 363) = ( 0.3250000 0.3250000 0.1765533), wk = 0.0021882 k( 364) = ( 0.3187500 0.3187500 0.1765533), wk = 0.0021882 k( 365) = ( 0.3125000 0.3125000 0.1765533), wk = 0.0021882 k( 366) = ( 0.3062500 0.3062500 0.1765533), wk = 0.0021882 k( 367) = ( 0.3000000 0.3000000 0.1765533), wk = 0.0021882 k( 368) = ( 0.2937500 0.2937500 0.1765533), wk = 0.0021882 k( 369) = ( 0.2875000 0.2875000 0.1765533), wk = 0.0021882 k( 370) = ( 0.2812500 0.2812500 0.1765533), wk = 0.0021882 k( 371) = ( 0.2750000 0.2750000 0.1765533), wk = 0.0021882 k( 372) = ( 0.2687500 0.2687500 0.1765533), wk = 0.0021882 k( 373) = ( 0.2625000 0.2625000 0.1765533), wk = 0.0021882 k( 374) = ( 0.2562500 0.2562500 0.1765533), wk = 0.0021882 k( 375) = ( 0.2500000 0.2500000 0.1765533), wk = 0.0021882 k( 376) = ( 0.2437500 0.2437500 0.1765533), wk = 0.0021882 k( 377) = ( 0.2375000 0.2375000 0.1765533), wk = 0.0021882 k( 378) = ( 0.2312500 0.2312500 0.1765533), wk = 0.0021882 k( 379) = ( 0.2250000 0.2250000 0.1765533), wk = 0.0021882 k( 380) = ( 0.2187500 0.2187500 0.1765533), wk = 0.0021882 k( 381) = ( 0.2125000 0.2125000 0.1765533), wk = 0.0021882 k( 382) = ( 0.2062500 0.2062500 0.1765533), wk = 0.0021882 k( 383) = ( 0.2000000 0.2000000 0.1765533), wk = 0.0021882 k( 384) = ( 0.1937500 0.1937500 0.1765533), wk = 0.0021882 k( 385) = ( 0.1875000 0.1875000 0.1765533), wk = 0.0021882 k( 386) = ( 0.1812500 0.1812500 0.1765533), wk = 0.0021882 k( 387) = ( 0.1750000 0.1750000 0.1765533), wk = 0.0021882 k( 388) = ( 0.1687500 0.1687500 0.1765533), wk = 0.0021882 k( 389) = ( 0.1625000 0.1625000 0.1765533), wk = 0.0021882 k( 390) = ( 0.1562500 0.1562500 0.1765533), wk = 0.0021882 k( 391) = ( 0.1500000 0.1500000 0.1765533), wk = 0.0021882 k( 392) = ( 0.1437500 0.1437500 0.1765533), wk = 0.0021882 k( 393) = ( 0.1375000 0.1375000 0.1765533), wk = 0.0021882 k( 394) = ( 0.1312500 0.1312500 0.1765533), wk = 0.0021882 k( 395) = ( 0.1250000 0.1250000 0.1765533), wk = 0.0021882 k( 396) = ( 0.1187500 0.1187500 0.1765533), wk = 0.0021882 k( 397) = ( 0.1125000 0.1125000 0.1765533), wk = 0.0021882 k( 398) = ( 0.1062500 0.1062500 0.1765533), wk = 0.0021882 k( 399) = ( 0.1000000 0.1000000 0.1765533), wk = 0.0021882 k( 400) = ( 0.0937500 0.0937500 0.1765533), wk = 0.0021882 k( 401) = ( 0.0875000 0.0875000 0.1765533), wk = 0.0021882 k( 402) = ( 0.0812500 0.0812500 0.1765533), wk = 0.0021882 k( 403) = ( 0.0750000 0.0750000 0.1765533), wk = 0.0021882 k( 404) = ( 0.0687500 0.0687500 0.1765533), wk = 0.0021882 k( 405) = ( 0.0625000 0.0625000 0.1765533), wk = 0.0021882 k( 406) = ( 0.0562500 0.0562500 0.1765533), wk = 0.0021882 k( 407) = ( 0.0500000 0.0500000 0.1765533), wk = 0.0021882 k( 408) = ( 0.0437500 0.0437500 0.1765533), wk = 0.0021882 k( 409) = ( 0.0375000 0.0375000 0.1765533), wk = 0.0021882 k( 410) = ( 0.0312500 0.0312500 0.1765533), wk = 0.0021882 k( 411) = ( 0.0250000 0.0250000 0.1765533), wk = 0.0021882 k( 412) = ( 0.0187500 0.0187500 0.1765533), wk = 0.0021882 k( 413) = ( 0.0125000 0.0125000 0.1765533), wk = 0.0021882 k( 414) = ( 0.0062500 0.0062500 0.1765533), wk = 0.0021882 k( 415) = ( 0.0000000 0.0000000 0.1765533), wk = 0.0021882 k( 416) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0021882 k( 417) = ( 0.0000000 0.5000000 0.0088277), wk = 0.0021882 k( 418) = ( 0.0000000 0.5000000 0.0176553), wk = 0.0021882 k( 419) = ( 0.0000000 0.5000000 0.0264830), wk = 0.0021882 k( 420) = ( 0.0000000 0.5000000 0.0353107), wk = 0.0021882 k( 421) = ( 0.0000000 0.5000000 0.0441383), wk = 0.0021882 k( 422) = ( 0.0000000 0.5000000 0.0529660), wk = 0.0021882 k( 423) = ( 0.0000000 0.5000000 0.0617937), wk = 0.0021882 k( 424) = ( 0.0000000 0.5000000 0.0706213), wk = 0.0021882 k( 425) = ( 0.0000000 0.5000000 0.0794490), wk = 0.0021882 k( 426) = ( 0.0000000 0.5000000 0.0882767), wk = 0.0021882 k( 427) = ( 0.0000000 0.5000000 0.0971043), wk = 0.0021882 k( 428) = ( 0.0000000 0.5000000 0.1059320), wk = 0.0021882 k( 429) = ( 0.0000000 0.5000000 0.1147597), wk = 0.0021882 k( 430) = ( 0.0000000 0.5000000 0.1235873), wk = 0.0021882 k( 431) = ( 0.0000000 0.5000000 0.1324150), wk = 0.0021882 k( 432) = ( 0.0000000 0.5000000 0.1412427), wk = 0.0021882 k( 433) = ( 0.0000000 0.5000000 0.1500703), wk = 0.0021882 k( 434) = ( 0.0000000 0.5000000 0.1588980), wk = 0.0021882 k( 435) = ( 0.0000000 0.5000000 0.1677257), wk = 0.0021882 k( 436) = ( 0.0000000 0.5000000 0.1765533), wk = 0.0021882 k( 437) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0021882 k( 438) = ( 0.5000000 0.5000000 0.0088277), wk = 0.0021882 k( 439) = ( 0.5000000 0.5000000 0.0176553), wk = 0.0021882 k( 440) = ( 0.5000000 0.5000000 0.0264830), wk = 0.0021882 k( 441) = ( 0.5000000 0.5000000 0.0353107), wk = 0.0021882 k( 442) = ( 0.5000000 0.5000000 0.0441383), wk = 0.0021882 k( 443) = ( 0.5000000 0.5000000 0.0529660), wk = 0.0021882 k( 444) = ( 0.5000000 0.5000000 0.0617937), wk = 0.0021882 k( 445) = ( 0.5000000 0.5000000 0.0706213), wk = 0.0021882 k( 446) = ( 0.5000000 0.5000000 0.0794490), wk = 0.0021882 k( 447) = ( 0.5000000 0.5000000 0.0882767), wk = 0.0021882 k( 448) = ( 0.5000000 0.5000000 0.0971043), wk = 0.0021882 k( 449) = ( 0.5000000 0.5000000 0.1059320), wk = 0.0021882 k( 450) = ( 0.5000000 0.5000000 0.1147597), wk = 0.0021882 k( 451) = ( 0.5000000 0.5000000 0.1235873), wk = 0.0021882 k( 452) = ( 0.5000000 0.5000000 0.1324150), wk = 0.0021882 k( 453) = ( 0.5000000 0.5000000 0.1412427), wk = 0.0021882 k( 454) = ( 0.5000000 0.5000000 0.1500703), wk = 0.0021882 k( 455) = ( 0.5000000 0.5000000 0.1588980), wk = 0.0021882 k( 456) = ( 0.5000000 0.5000000 0.1677257), wk = 0.0021882 k( 457) = ( 0.5000000 0.5000000 0.1765533), wk = 0.0021882 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021882 k( 2) = ( 0.0000000 0.0087719 -0.0000000), wk = 0.0021882 k( 3) = ( 0.0000000 0.0175439 -0.0000000), wk = 0.0021882 k( 4) = ( 0.0000000 0.0263158 -0.0000000), wk = 0.0021882 k( 5) = ( 0.0000000 0.0350877 -0.0000000), wk = 0.0021882 k( 6) = ( 0.0000000 0.0438597 0.0000000), wk = 0.0021882 k( 7) = ( 0.0000000 0.0526316 -0.0000000), wk = 0.0021882 k( 8) = ( 0.0000000 0.0614035 -0.0000000), wk = 0.0021882 k( 9) = ( 0.0000000 0.0701754 -0.0000000), wk = 0.0021882 k( 10) = ( 0.0000000 0.0789474 0.0000000), wk = 0.0021882 k( 11) = ( 0.0000000 0.0877193 0.0000000), wk = 0.0021882 k( 12) = ( 0.0000000 0.0964912 -0.0000000), wk = 0.0021882 k( 13) = ( 0.0000000 0.1052632 -0.0000000), wk = 0.0021882 k( 14) = ( 0.0000000 0.1140351 0.0000000), wk = 0.0021882 k( 15) = ( 0.0000000 0.1228070 -0.0000000), wk = 0.0021882 k( 16) = ( 0.0000000 0.1315790 0.0000000), wk = 0.0021882 k( 17) = ( 0.0000000 0.1403509 -0.0000000), wk = 0.0021882 k( 18) = ( 0.0000000 0.1491228 0.0000000), wk = 0.0021882 k( 19) = ( 0.0000000 0.1578947 0.0000000), wk = 0.0021882 k( 20) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0021882 k( 21) = ( 0.0000000 0.1754386 0.0000000), wk = 0.0021882 k( 22) = ( 0.0000000 0.1842105 0.0000000), wk = 0.0021882 k( 23) = ( 0.0000000 0.1929825 -0.0000000), wk = 0.0021882 k( 24) = ( 0.0000000 0.2017544 -0.0000000), wk = 0.0021882 k( 25) = ( 0.0000000 0.2105263 -0.0000000), wk = 0.0021882 k( 26) = ( 0.0000000 0.2192983 0.0000000), wk = 0.0021882 k( 27) = ( 0.0000000 0.2280702 0.0000000), wk = 0.0021882 k( 28) = ( 0.0000000 0.2368421 0.0000000), wk = 0.0021882 k( 29) = ( 0.0000000 0.2456140 -0.0000000), wk = 0.0021882 k( 30) = ( 0.0000000 0.2543860 -0.0000000), wk = 0.0021882 k( 31) = ( 0.0000000 0.2631579 0.0000000), wk = 0.0021882 k( 32) = ( 0.0000000 0.2719298 0.0000000), wk = 0.0021882 k( 33) = ( 0.0000000 0.2807018 0.0000000), wk = 0.0021882 k( 34) = ( 0.0000000 0.2894737 0.0000000), wk = 0.0021882 k( 35) = ( 0.0000000 0.2982456 -0.0000000), wk = 0.0021882 k( 36) = ( 0.0000000 0.3070175 -0.0000000), wk = 0.0021882 k( 37) = ( 0.0000000 0.3157895 0.0000000), wk = 0.0021882 k( 38) = ( 0.0000000 0.3245614 0.0000000), wk = 0.0021882 k( 39) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0021882 k( 40) = ( 0.0000000 0.3421053 -0.0000000), wk = 0.0021882 k( 41) = ( 0.0000000 0.3508772 0.0000000), wk = 0.0021882 k( 42) = ( 0.0000000 0.3596491 -0.0000000), wk = 0.0021882 k( 43) = ( 0.0000000 0.3684211 0.0000000), wk = 0.0021882 k( 44) = ( 0.0000000 0.3771930 0.0000000), wk = 0.0021882 k( 45) = ( 0.0000000 0.3859649 0.0000000), wk = 0.0021882 k( 46) = ( 0.0000000 0.3947368 -0.0000000), wk = 0.0021882 k( 47) = ( 0.0000000 0.4035088 0.0000000), wk = 0.0021882 k( 48) = ( 0.0000000 0.4122807 -0.0000000), wk = 0.0021882 k( 49) = ( 0.0000000 0.4210526 0.0000000), wk = 0.0021882 k( 50) = ( 0.0000000 0.4298246 0.0000000), wk = 0.0021882 k( 51) = ( 0.0000000 0.4385965 -0.0000000), wk = 0.0021882 k( 52) = ( 0.0000000 0.4473684 -0.0000000), wk = 0.0021882 k( 53) = ( 0.0000000 0.4561404 0.0000000), wk = 0.0021882 k( 54) = ( 0.0000000 0.4649123 -0.0000000), wk = 0.0021882 k( 55) = ( 0.0000000 0.4736842 0.0000000), wk = 0.0021882 k( 56) = ( 0.0000000 0.4824561 0.0000000), wk = 0.0021882 k( 57) = ( 0.0000000 0.4912281 -0.0000000), wk = 0.0021882 k( 58) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021882 k( 59) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021882 k( 60) = ( 0.0087719 0.5000000 0.0000000), wk = 0.0021882 k( 61) = ( 0.0175439 0.5000000 0.0000000), wk = 0.0021882 k( 62) = ( 0.0263158 0.5000000 0.0000000), wk = 0.0021882 k( 63) = ( 0.0350877 0.5000000 0.0000000), wk = 0.0021882 k( 64) = ( 0.0438597 0.5000000 0.0000000), wk = 0.0021882 k( 65) = ( 0.0526316 0.5000000 0.0000000), wk = 0.0021882 k( 66) = ( 0.0614035 0.5000000 0.0000000), wk = 0.0021882 k( 67) = ( 0.0701754 0.5000000 0.0000000), wk = 0.0021882 k( 68) = ( 0.0789474 0.5000000 0.0000000), wk = 0.0021882 k( 69) = ( 0.0877193 0.5000000 0.0000000), wk = 0.0021882 k( 70) = ( 0.0964912 0.5000000 0.0000000), wk = 0.0021882 k( 71) = ( 0.1052632 0.5000000 0.0000000), wk = 0.0021882 k( 72) = ( 0.1140351 0.5000000 0.0000000), wk = 0.0021882 k( 73) = ( 0.1228070 0.5000000 0.0000000), wk = 0.0021882 k( 74) = ( 0.1315790 0.5000000 0.0000000), wk = 0.0021882 k( 75) = ( 0.1403509 0.5000000 -0.0000000), wk = 0.0021882 k( 76) = ( 0.1491228 0.5000000 0.0000000), wk = 0.0021882 k( 77) = ( 0.1578947 0.5000000 -0.0000000), wk = 0.0021882 k( 78) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0021882 k( 79) = ( 0.1754386 0.5000000 -0.0000000), wk = 0.0021882 k( 80) = ( 0.1842105 0.5000000 0.0000000), wk = 0.0021882 k( 81) = ( 0.1929825 0.5000000 0.0000000), wk = 0.0021882 k( 82) = ( 0.2017544 0.5000000 0.0000000), wk = 0.0021882 k( 83) = ( 0.2105263 0.5000000 0.0000000), wk = 0.0021882 k( 84) = ( 0.2192983 0.5000000 0.0000000), wk = 0.0021882 k( 85) = ( 0.2280702 0.5000000 0.0000000), wk = 0.0021882 k( 86) = ( 0.2368421 0.5000000 0.0000000), wk = 0.0021882 k( 87) = ( 0.2456140 0.5000000 0.0000000), wk = 0.0021882 k( 88) = ( 0.2543860 0.5000000 0.0000000), wk = 0.0021882 k( 89) = ( 0.2631579 0.5000000 0.0000000), wk = 0.0021882 k( 90) = ( 0.2719298 0.5000000 0.0000000), wk = 0.0021882 k( 91) = ( 0.2807018 0.5000000 0.0000000), wk = 0.0021882 k( 92) = ( 0.2894737 0.5000000 -0.0000000), wk = 0.0021882 k( 93) = ( 0.2982456 0.5000000 0.0000000), wk = 0.0021882 k( 94) = ( 0.3070175 0.5000000 -0.0000000), wk = 0.0021882 k( 95) = ( 0.3157895 0.5000000 0.0000000), wk = 0.0021882 k( 96) = ( 0.3245614 0.5000000 0.0000000), wk = 0.0021882 k( 97) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0021882 k( 98) = ( 0.3421053 0.5000000 -0.0000000), wk = 0.0021882 k( 99) = ( 0.3508772 0.5000000 -0.0000000), wk = 0.0021882 k( 100) = ( 0.3596491 0.5000000 0.0000000), wk = 0.0021882 k( 101) = ( 0.3684211 0.5000000 0.0000000), wk = 0.0021882 k( 102) = ( 0.3771930 0.5000000 -0.0000000), wk = 0.0021882 k( 103) = ( 0.3859649 0.5000000 -0.0000000), wk = 0.0021882 k( 104) = ( 0.3947368 0.5000000 -0.0000000), wk = 0.0021882 k( 105) = ( 0.4035088 0.5000000 -0.0000000), wk = 0.0021882 k( 106) = ( 0.4122807 0.5000000 0.0000000), wk = 0.0021882 k( 107) = ( 0.4210526 0.5000000 -0.0000000), wk = 0.0021882 k( 108) = ( 0.4298246 0.5000000 0.0000000), wk = 0.0021882 k( 109) = ( 0.4385965 0.5000000 -0.0000000), wk = 0.0021882 k( 110) = ( 0.4473684 0.5000000 0.0000000), wk = 0.0021882 k( 111) = ( 0.4561404 0.5000000 -0.0000000), wk = 0.0021882 k( 112) = ( 0.4649123 0.5000000 0.0000000), wk = 0.0021882 k( 113) = ( 0.4736842 0.5000000 0.0000000), wk = 0.0021882 k( 114) = ( 0.4824561 0.5000000 -0.0000000), wk = 0.0021882 k( 115) = ( 0.4912281 0.5000000 -0.0000000), wk = 0.0021882 k( 116) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0021882 k( 117) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0021882 k( 118) = ( 0.4937500 0.4937500 -0.0000000), wk = 0.0021882 k( 119) = ( 0.4875000 0.4875000 -0.0000000), wk = 0.0021882 k( 120) = ( 0.4812500 0.4812500 -0.0000000), wk = 0.0021882 k( 121) = ( 0.4750000 0.4750000 -0.0000000), wk = 0.0021882 k( 122) = ( 0.4687500 0.4687500 -0.0000000), wk = 0.0021882 k( 123) = ( 0.4625000 0.4625000 -0.0000000), wk = 0.0021882 k( 124) = ( 0.4562500 0.4562500 0.0000000), wk = 0.0021882 k( 125) = ( 0.4500000 0.4500000 0.0000000), wk = 0.0021882 k( 126) = ( 0.4437500 0.4437500 -0.0000000), wk = 0.0021882 k( 127) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0021882 k( 128) = ( 0.4312500 0.4312500 0.0000000), wk = 0.0021882 k( 129) = ( 0.4250000 0.4250000 -0.0000000), wk = 0.0021882 k( 130) = ( 0.4187500 0.4187500 -0.0000000), wk = 0.0021882 k( 131) = ( 0.4125000 0.4125000 -0.0000000), wk = 0.0021882 k( 132) = ( 0.4062500 0.4062500 -0.0000000), wk = 0.0021882 k( 133) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0021882 k( 134) = ( 0.3937500 0.3937500 -0.0000000), wk = 0.0021882 k( 135) = ( 0.3875000 0.3875000 0.0000000), wk = 0.0021882 k( 136) = ( 0.3812500 0.3812500 0.0000000), wk = 0.0021882 k( 137) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0021882 k( 138) = ( 0.3687500 0.3687500 -0.0000000), wk = 0.0021882 k( 139) = ( 0.3625000 0.3625000 -0.0000000), wk = 0.0021882 k( 140) = ( 0.3562500 0.3562500 0.0000000), wk = 0.0021882 k( 141) = ( 0.3500000 0.3500000 0.0000000), wk = 0.0021882 k( 142) = ( 0.3437500 0.3437500 0.0000000), wk = 0.0021882 k( 143) = ( 0.3375000 0.3375000 0.0000000), wk = 0.0021882 k( 144) = ( 0.3312500 0.3312500 -0.0000000), wk = 0.0021882 k( 145) = ( 0.3250000 0.3250000 -0.0000000), wk = 0.0021882 k( 146) = ( 0.3187500 0.3187500 -0.0000000), wk = 0.0021882 k( 147) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0021882 k( 148) = ( 0.3062500 0.3062500 -0.0000000), wk = 0.0021882 k( 149) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0021882 k( 150) = ( 0.2937500 0.2937500 -0.0000000), wk = 0.0021882 k( 151) = ( 0.2875000 0.2875000 -0.0000000), wk = 0.0021882 k( 152) = ( 0.2812500 0.2812500 -0.0000000), wk = 0.0021882 k( 153) = ( 0.2750000 0.2750000 0.0000000), wk = 0.0021882 k( 154) = ( 0.2687500 0.2687500 0.0000000), wk = 0.0021882 k( 155) = ( 0.2625000 0.2625000 0.0000000), wk = 0.0021882 k( 156) = ( 0.2562500 0.2562500 0.0000000), wk = 0.0021882 k( 157) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0021882 k( 158) = ( 0.2437500 0.2437500 -0.0000000), wk = 0.0021882 k( 159) = ( 0.2375000 0.2375000 -0.0000000), wk = 0.0021882 k( 160) = ( 0.2312500 0.2312500 -0.0000000), wk = 0.0021882 k( 161) = ( 0.2250000 0.2250000 0.0000000), wk = 0.0021882 k( 162) = ( 0.2187500 0.2187500 0.0000000), wk = 0.0021882 k( 163) = ( 0.2125000 0.2125000 -0.0000000), wk = 0.0021882 k( 164) = ( 0.2062500 0.2062500 -0.0000000), wk = 0.0021882 k( 165) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0021882 k( 166) = ( 0.1937500 0.1937500 0.0000000), wk = 0.0021882 k( 167) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0021882 k( 168) = ( 0.1812500 0.1812500 -0.0000000), wk = 0.0021882 k( 169) = ( 0.1750000 0.1750000 0.0000000), wk = 0.0021882 k( 170) = ( 0.1687500 0.1687500 0.0000000), wk = 0.0021882 k( 171) = ( 0.1625000 0.1625000 -0.0000000), wk = 0.0021882 k( 172) = ( 0.1562500 0.1562500 -0.0000000), wk = 0.0021882 k( 173) = ( 0.1500000 0.1500000 0.0000000), wk = 0.0021882 k( 174) = ( 0.1437500 0.1437500 -0.0000000), wk = 0.0021882 k( 175) = ( 0.1375000 0.1375000 0.0000000), wk = 0.0021882 k( 176) = ( 0.1312500 0.1312500 0.0000000), wk = 0.0021882 k( 177) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0021882 k( 178) = ( 0.1187500 0.1187500 -0.0000000), wk = 0.0021882 k( 179) = ( 0.1125000 0.1125000 0.0000000), wk = 0.0021882 k( 180) = ( 0.1062500 0.1062500 -0.0000000), wk = 0.0021882 k( 181) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0021882 k( 182) = ( 0.0937500 0.0937500 0.0000000), wk = 0.0021882 k( 183) = ( 0.0875000 0.0875000 0.0000000), wk = 0.0021882 k( 184) = ( 0.0812500 0.0812500 -0.0000000), wk = 0.0021882 k( 185) = ( 0.0750000 0.0750000 0.0000000), wk = 0.0021882 k( 186) = ( 0.0687500 0.0687500 0.0000000), wk = 0.0021882 k( 187) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0021882 k( 188) = ( 0.0562500 0.0562500 0.0000000), wk = 0.0021882 k( 189) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0021882 k( 190) = ( 0.0437500 0.0437500 0.0000000), wk = 0.0021882 k( 191) = ( 0.0375000 0.0375000 0.0000000), wk = 0.0021882 k( 192) = ( 0.0312500 0.0312500 -0.0000000), wk = 0.0021882 k( 193) = ( 0.0250000 0.0250000 -0.0000000), wk = 0.0021882 k( 194) = ( 0.0187500 0.0187500 0.0000000), wk = 0.0021882 k( 195) = ( 0.0125000 0.0125000 -0.0000000), wk = 0.0021882 k( 196) = ( 0.0062500 0.0062500 -0.0000000), wk = 0.0021882 k( 197) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021882 k( 198) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021882 k( 199) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0021882 k( 200) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0021882 k( 201) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0021882 k( 202) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0021882 k( 203) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0021882 k( 204) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0021882 k( 205) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0021882 k( 206) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0021882 k( 207) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0021882 k( 208) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0021882 k( 209) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0021882 k( 210) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0021882 k( 211) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0021882 k( 212) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0021882 k( 213) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0021882 k( 214) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0021882 k( 215) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0021882 k( 216) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0021882 k( 217) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0021882 k( 218) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021882 k( 219) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021882 k( 220) = ( 0.0000000 0.0087719 0.5000000), wk = 0.0021882 k( 221) = ( 0.0000000 0.0175439 0.5000000), wk = 0.0021882 k( 222) = ( 0.0000000 0.0263158 0.5000000), wk = 0.0021882 k( 223) = ( 0.0000000 0.0350877 0.5000000), wk = 0.0021882 k( 224) = ( 0.0000000 0.0438597 0.5000000), wk = 0.0021882 k( 225) = ( 0.0000000 0.0526316 0.5000000), wk = 0.0021882 k( 226) = ( 0.0000000 0.0614035 0.5000000), wk = 0.0021882 k( 227) = ( 0.0000000 0.0701754 0.5000000), wk = 0.0021882 k( 228) = ( 0.0000000 0.0789474 0.5000000), wk = 0.0021882 k( 229) = ( 0.0000000 0.0877193 0.5000000), wk = 0.0021882 k( 230) = ( 0.0000000 0.0964912 0.5000000), wk = 0.0021882 k( 231) = ( 0.0000000 0.1052632 0.5000000), wk = 0.0021882 k( 232) = ( 0.0000000 0.1140351 0.5000000), wk = 0.0021882 k( 233) = ( 0.0000000 0.1228070 0.5000000), wk = 0.0021882 k( 234) = ( 0.0000000 0.1315790 0.5000000), wk = 0.0021882 k( 235) = ( 0.0000000 0.1403509 0.5000000), wk = 0.0021882 k( 236) = ( 0.0000000 0.1491228 0.5000000), wk = 0.0021882 k( 237) = ( 0.0000000 0.1578947 0.5000000), wk = 0.0021882 k( 238) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0021882 k( 239) = ( 0.0000000 0.1754386 0.5000000), wk = 0.0021882 k( 240) = ( 0.0000000 0.1842105 0.5000000), wk = 0.0021882 k( 241) = ( 0.0000000 0.1929825 0.5000000), wk = 0.0021882 k( 242) = ( 0.0000000 0.2017544 0.5000000), wk = 0.0021882 k( 243) = ( 0.0000000 0.2105263 0.5000000), wk = 0.0021882 k( 244) = ( 0.0000000 0.2192983 0.5000000), wk = 0.0021882 k( 245) = ( 0.0000000 0.2280702 0.5000000), wk = 0.0021882 k( 246) = ( 0.0000000 0.2368421 0.5000000), wk = 0.0021882 k( 247) = ( 0.0000000 0.2456140 0.5000000), wk = 0.0021882 k( 248) = ( 0.0000000 0.2543860 0.5000000), wk = 0.0021882 k( 249) = ( 0.0000000 0.2631579 0.5000000), wk = 0.0021882 k( 250) = ( 0.0000000 0.2719298 0.5000000), wk = 0.0021882 k( 251) = ( 0.0000000 0.2807018 0.5000000), wk = 0.0021882 k( 252) = ( 0.0000000 0.2894737 0.5000000), wk = 0.0021882 k( 253) = ( 0.0000000 0.2982456 0.5000000), wk = 0.0021882 k( 254) = ( 0.0000000 0.3070175 0.5000000), wk = 0.0021882 k( 255) = ( 0.0000000 0.3157895 0.5000000), wk = 0.0021882 k( 256) = ( 0.0000000 0.3245614 0.5000000), wk = 0.0021882 k( 257) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0021882 k( 258) = ( 0.0000000 0.3421053 0.5000000), wk = 0.0021882 k( 259) = ( 0.0000000 0.3508772 0.5000000), wk = 0.0021882 k( 260) = ( 0.0000000 0.3596491 0.5000000), wk = 0.0021882 k( 261) = ( 0.0000000 0.3684211 0.5000000), wk = 0.0021882 k( 262) = ( 0.0000000 0.3771930 0.5000000), wk = 0.0021882 k( 263) = ( 0.0000000 0.3859649 0.5000000), wk = 0.0021882 k( 264) = ( 0.0000000 0.3947368 0.5000000), wk = 0.0021882 k( 265) = ( 0.0000000 0.4035088 0.5000000), wk = 0.0021882 k( 266) = ( 0.0000000 0.4122807 0.5000000), wk = 0.0021882 k( 267) = ( 0.0000000 0.4210526 0.5000000), wk = 0.0021882 k( 268) = ( 0.0000000 0.4298246 0.5000000), wk = 0.0021882 k( 269) = ( 0.0000000 0.4385965 0.5000000), wk = 0.0021882 k( 270) = ( 0.0000000 0.4473684 0.5000000), wk = 0.0021882 k( 271) = ( 0.0000000 0.4561404 0.5000000), wk = 0.0021882 k( 272) = ( 0.0000000 0.4649123 0.5000000), wk = 0.0021882 k( 273) = ( 0.0000000 0.4736842 0.5000000), wk = 0.0021882 k( 274) = ( 0.0000000 0.4824561 0.5000000), wk = 0.0021882 k( 275) = ( 0.0000000 0.4912281 0.5000000), wk = 0.0021882 k( 276) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021882 k( 277) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021882 k( 278) = ( 0.0087719 0.5000000 0.5000000), wk = 0.0021882 k( 279) = ( 0.0175439 0.5000000 0.5000000), wk = 0.0021882 k( 280) = ( 0.0263158 0.5000000 0.5000000), wk = 0.0021882 k( 281) = ( 0.0350877 0.5000000 0.5000000), wk = 0.0021882 k( 282) = ( 0.0438597 0.5000000 0.5000000), wk = 0.0021882 k( 283) = ( 0.0526316 0.5000000 0.5000000), wk = 0.0021882 k( 284) = ( 0.0614035 0.5000000 0.5000000), wk = 0.0021882 k( 285) = ( 0.0701754 0.5000000 0.5000000), wk = 0.0021882 k( 286) = ( 0.0789474 0.5000000 0.5000000), wk = 0.0021882 k( 287) = ( 0.0877193 0.5000000 0.5000000), wk = 0.0021882 k( 288) = ( 0.0964912 0.5000000 0.5000000), wk = 0.0021882 k( 289) = ( 0.1052632 0.5000000 0.5000000), wk = 0.0021882 k( 290) = ( 0.1140351 0.5000000 0.5000000), wk = 0.0021882 k( 291) = ( 0.1228070 0.5000000 0.5000000), wk = 0.0021882 k( 292) = ( 0.1315790 0.5000000 0.5000000), wk = 0.0021882 k( 293) = ( 0.1403509 0.5000000 0.5000000), wk = 0.0021882 k( 294) = ( 0.1491228 0.5000000 0.5000000), wk = 0.0021882 k( 295) = ( 0.1578947 0.5000000 0.5000000), wk = 0.0021882 k( 296) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0021882 k( 297) = ( 0.1754386 0.5000000 0.5000000), wk = 0.0021882 k( 298) = ( 0.1842105 0.5000000 0.5000000), wk = 0.0021882 k( 299) = ( 0.1929825 0.5000000 0.5000000), wk = 0.0021882 k( 300) = ( 0.2017544 0.5000000 0.5000000), wk = 0.0021882 k( 301) = ( 0.2105263 0.5000000 0.5000000), wk = 0.0021882 k( 302) = ( 0.2192983 0.5000000 0.5000000), wk = 0.0021882 k( 303) = ( 0.2280702 0.5000000 0.5000000), wk = 0.0021882 k( 304) = ( 0.2368421 0.5000000 0.5000000), wk = 0.0021882 k( 305) = ( 0.2456140 0.5000000 0.5000000), wk = 0.0021882 k( 306) = ( 0.2543860 0.5000000 0.5000000), wk = 0.0021882 k( 307) = ( 0.2631579 0.5000000 0.5000000), wk = 0.0021882 k( 308) = ( 0.2719298 0.5000000 0.5000000), wk = 0.0021882 k( 309) = ( 0.2807018 0.5000000 0.5000000), wk = 0.0021882 k( 310) = ( 0.2894737 0.5000000 0.5000000), wk = 0.0021882 k( 311) = ( 0.2982456 0.5000000 0.5000000), wk = 0.0021882 k( 312) = ( 0.3070175 0.5000000 0.5000000), wk = 0.0021882 k( 313) = ( 0.3157895 0.5000000 0.5000000), wk = 0.0021882 k( 314) = ( 0.3245614 0.5000000 0.5000000), wk = 0.0021882 k( 315) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0021882 k( 316) = ( 0.3421053 0.5000000 0.5000000), wk = 0.0021882 k( 317) = ( 0.3508772 0.5000000 0.5000000), wk = 0.0021882 k( 318) = ( 0.3596491 0.5000000 0.5000000), wk = 0.0021882 k( 319) = ( 0.3684211 0.5000000 0.5000000), wk = 0.0021882 k( 320) = ( 0.3771930 0.5000000 0.5000000), wk = 0.0021882 k( 321) = ( 0.3859649 0.5000000 0.5000000), wk = 0.0021882 k( 322) = ( 0.3947368 0.5000000 0.5000000), wk = 0.0021882 k( 323) = ( 0.4035088 0.5000000 0.5000000), wk = 0.0021882 k( 324) = ( 0.4122807 0.5000000 0.5000000), wk = 0.0021882 k( 325) = ( 0.4210526 0.5000000 0.5000000), wk = 0.0021882 k( 326) = ( 0.4298246 0.5000000 0.5000000), wk = 0.0021882 k( 327) = ( 0.4385965 0.5000000 0.5000000), wk = 0.0021882 k( 328) = ( 0.4473684 0.5000000 0.5000000), wk = 0.0021882 k( 329) = ( 0.4561404 0.5000000 0.5000000), wk = 0.0021882 k( 330) = ( 0.4649123 0.5000000 0.5000000), wk = 0.0021882 k( 331) = ( 0.4736842 0.5000000 0.5000000), wk = 0.0021882 k( 332) = ( 0.4824561 0.5000000 0.5000000), wk = 0.0021882 k( 333) = ( 0.4912281 0.5000000 0.5000000), wk = 0.0021882 k( 334) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021882 k( 335) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021882 k( 336) = ( 0.4937500 0.4937500 0.5000000), wk = 0.0021882 k( 337) = ( 0.4875000 0.4875000 0.5000000), wk = 0.0021882 k( 338) = ( 0.4812500 0.4812500 0.5000000), wk = 0.0021882 k( 339) = ( 0.4750000 0.4750000 0.5000000), wk = 0.0021882 k( 340) = ( 0.4687500 0.4687500 0.5000000), wk = 0.0021882 k( 341) = ( 0.4625000 0.4625000 0.5000000), wk = 0.0021882 k( 342) = ( 0.4562500 0.4562500 0.5000000), wk = 0.0021882 k( 343) = ( 0.4500000 0.4500000 0.5000000), wk = 0.0021882 k( 344) = ( 0.4437500 0.4437500 0.5000000), wk = 0.0021882 k( 345) = ( 0.4375000 0.4375000 0.5000000), wk = 0.0021882 k( 346) = ( 0.4312500 0.4312500 0.5000000), wk = 0.0021882 k( 347) = ( 0.4250000 0.4250000 0.5000000), wk = 0.0021882 k( 348) = ( 0.4187500 0.4187500 0.5000000), wk = 0.0021882 k( 349) = ( 0.4125000 0.4125000 0.5000000), wk = 0.0021882 k( 350) = ( 0.4062500 0.4062500 0.5000000), wk = 0.0021882 k( 351) = ( 0.4000000 0.4000000 0.5000000), wk = 0.0021882 k( 352) = ( 0.3937500 0.3937500 0.5000000), wk = 0.0021882 k( 353) = ( 0.3875000 0.3875000 0.5000000), wk = 0.0021882 k( 354) = ( 0.3812500 0.3812500 0.5000000), wk = 0.0021882 k( 355) = ( 0.3750000 0.3750000 0.5000000), wk = 0.0021882 k( 356) = ( 0.3687500 0.3687500 0.5000000), wk = 0.0021882 k( 357) = ( 0.3625000 0.3625000 0.5000000), wk = 0.0021882 k( 358) = ( 0.3562500 0.3562500 0.5000000), wk = 0.0021882 k( 359) = ( 0.3500000 0.3500000 0.5000000), wk = 0.0021882 k( 360) = ( 0.3437500 0.3437500 0.5000000), wk = 0.0021882 k( 361) = ( 0.3375000 0.3375000 0.5000000), wk = 0.0021882 k( 362) = ( 0.3312500 0.3312500 0.5000000), wk = 0.0021882 k( 363) = ( 0.3250000 0.3250000 0.5000000), wk = 0.0021882 k( 364) = ( 0.3187500 0.3187500 0.5000000), wk = 0.0021882 k( 365) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0021882 k( 366) = ( 0.3062500 0.3062500 0.5000000), wk = 0.0021882 k( 367) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0021882 k( 368) = ( 0.2937500 0.2937500 0.5000000), wk = 0.0021882 k( 369) = ( 0.2875000 0.2875000 0.5000000), wk = 0.0021882 k( 370) = ( 0.2812500 0.2812500 0.5000000), wk = 0.0021882 k( 371) = ( 0.2750000 0.2750000 0.5000000), wk = 0.0021882 k( 372) = ( 0.2687500 0.2687500 0.5000000), wk = 0.0021882 k( 373) = ( 0.2625000 0.2625000 0.5000000), wk = 0.0021882 k( 374) = ( 0.2562500 0.2562500 0.5000000), wk = 0.0021882 k( 375) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0021882 k( 376) = ( 0.2437500 0.2437500 0.5000000), wk = 0.0021882 k( 377) = ( 0.2375000 0.2375000 0.5000000), wk = 0.0021882 k( 378) = ( 0.2312500 0.2312500 0.5000000), wk = 0.0021882 k( 379) = ( 0.2250000 0.2250000 0.5000000), wk = 0.0021882 k( 380) = ( 0.2187500 0.2187500 0.5000000), wk = 0.0021882 k( 381) = ( 0.2125000 0.2125000 0.5000000), wk = 0.0021882 k( 382) = ( 0.2062500 0.2062500 0.5000000), wk = 0.0021882 k( 383) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0021882 k( 384) = ( 0.1937500 0.1937500 0.5000000), wk = 0.0021882 k( 385) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0021882 k( 386) = ( 0.1812500 0.1812500 0.5000000), wk = 0.0021882 k( 387) = ( 0.1750000 0.1750000 0.5000000), wk = 0.0021882 k( 388) = ( 0.1687500 0.1687500 0.5000000), wk = 0.0021882 k( 389) = ( 0.1625000 0.1625000 0.5000000), wk = 0.0021882 k( 390) = ( 0.1562500 0.1562500 0.5000000), wk = 0.0021882 k( 391) = ( 0.1500000 0.1500000 0.5000000), wk = 0.0021882 k( 392) = ( 0.1437500 0.1437500 0.5000000), wk = 0.0021882 k( 393) = ( 0.1375000 0.1375000 0.5000000), wk = 0.0021882 k( 394) = ( 0.1312500 0.1312500 0.5000000), wk = 0.0021882 k( 395) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0021882 k( 396) = ( 0.1187500 0.1187500 0.5000000), wk = 0.0021882 k( 397) = ( 0.1125000 0.1125000 0.5000000), wk = 0.0021882 k( 398) = ( 0.1062500 0.1062500 0.5000000), wk = 0.0021882 k( 399) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0021882 k( 400) = ( 0.0937500 0.0937500 0.5000000), wk = 0.0021882 k( 401) = ( 0.0875000 0.0875000 0.5000000), wk = 0.0021882 k( 402) = ( 0.0812500 0.0812500 0.5000000), wk = 0.0021882 k( 403) = ( 0.0750000 0.0750000 0.5000000), wk = 0.0021882 k( 404) = ( 0.0687500 0.0687500 0.5000000), wk = 0.0021882 k( 405) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0021882 k( 406) = ( 0.0562500 0.0562500 0.5000000), wk = 0.0021882 k( 407) = ( 0.0500000 0.0500000 0.5000000), wk = 0.0021882 k( 408) = ( 0.0437500 0.0437500 0.5000000), wk = 0.0021882 k( 409) = ( 0.0375000 0.0375000 0.5000000), wk = 0.0021882 k( 410) = ( 0.0312500 0.0312500 0.5000000), wk = 0.0021882 k( 411) = ( 0.0250000 0.0250000 0.5000000), wk = 0.0021882 k( 412) = ( 0.0187500 0.0187500 0.5000000), wk = 0.0021882 k( 413) = ( 0.0125000 0.0125000 0.5000000), wk = 0.0021882 k( 414) = ( 0.0062500 0.0062500 0.5000000), wk = 0.0021882 k( 415) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021882 k( 416) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021882 k( 417) = ( 0.0000000 0.5000000 0.0250000), wk = 0.0021882 k( 418) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0021882 k( 419) = ( 0.0000000 0.5000000 0.0750000), wk = 0.0021882 k( 420) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0021882 k( 421) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0021882 k( 422) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0021882 k( 423) = ( 0.0000000 0.5000000 0.1750000), wk = 0.0021882 k( 424) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0021882 k( 425) = ( 0.0000000 0.5000000 0.2250000), wk = 0.0021882 k( 426) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0021882 k( 427) = ( 0.0000000 0.5000000 0.2750000), wk = 0.0021882 k( 428) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0021882 k( 429) = ( 0.0000000 0.5000000 0.3250000), wk = 0.0021882 k( 430) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0021882 k( 431) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0021882 k( 432) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0021882 k( 433) = ( 0.0000000 0.5000000 0.4250000), wk = 0.0021882 k( 434) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0021882 k( 435) = ( 0.0000000 0.5000000 0.4750000), wk = 0.0021882 k( 436) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021882 k( 437) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0021882 k( 438) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0021882 k( 439) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0021882 k( 440) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0021882 k( 441) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0021882 k( 442) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0021882 k( 443) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0021882 k( 444) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0021882 k( 445) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0021882 k( 446) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0021882 k( 447) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0021882 k( 448) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0021882 k( 449) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0021882 k( 450) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0021882 k( 451) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0021882 k( 452) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0021882 k( 453) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0021882 k( 454) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0021882 k( 455) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0021882 k( 456) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0021882 k( 457) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021882 Dense grid: 40985 G-vectors FFT dimensions: ( 32, 32, 90) Smooth grid: 18181 G-vectors FFT dimensions: ( 24, 24, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 132, 14) NL pseudopotentials 0.01 Mb ( 66, 14) Each V/rho on FFT grid 0.05 Mb ( 3072) Each G-vector array 0.01 Mb ( 1140) G-vector shells 0.00 Mb ( 580) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.11 Mb ( 132, 56) Each subspace H/S matrix 0.00 Mb ( 14, 14) Each matrix 0.01 Mb ( 14, 2, 14) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./O2.save/charge-density.dat negative rho (up, down): 9.204E-05 0.000E+00 Starting wfc are 8 randomized atomic wfcs + 6 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 0.8 secs Computing kpt #: 2 total cpu time spent up to now is 0.8 secs Computing kpt #: 3 total cpu time spent up to now is 0.9 secs Computing kpt #: 4 total cpu time spent up to now is 0.9 secs Computing kpt #: 5 total cpu time spent up to now is 1.0 secs Computing kpt #: 6 total cpu time spent up to now is 1.0 secs Computing kpt #: 7 total cpu time spent up to now is 1.0 secs Computing kpt #: 8 total cpu time spent up to now is 1.1 secs Computing kpt #: 9 total cpu time spent up to now is 1.1 secs Computing kpt #: 10 total cpu time spent up to now is 1.2 secs Computing kpt #: 11 total cpu time spent up to now is 1.2 secs Computing kpt #: 12 total cpu time spent up to now is 1.3 secs Computing kpt #: 13 total cpu time spent up to now is 1.3 secs Computing kpt #: 14 total cpu time spent up to now is 1.3 secs Computing kpt #: 15 total cpu time spent up to now is 1.4 secs Computing kpt #: 16 total cpu time spent up to now is 1.4 secs Computing kpt #: 17 total cpu time spent up to now is 1.5 secs Computing kpt #: 18 total cpu time spent up to now is 1.5 secs Computing kpt #: 19 total cpu time spent up to now is 1.6 secs Computing kpt #: 20 total cpu time spent up to now is 1.6 secs Computing kpt #: 21 total cpu time spent up to now is 1.7 secs Computing kpt #: 22 total cpu time spent up to now is 1.7 secs Computing kpt #: 23 total cpu time spent up to now is 1.7 secs Computing kpt #: 24 total cpu time spent up to now is 1.8 secs Computing kpt #: 25 total cpu time spent up to now is 1.8 secs Computing kpt #: 26 total cpu time spent up to now is 1.9 secs Computing kpt #: 27 total cpu time spent up to now is 1.9 secs Computing kpt #: 28 total cpu time spent up to now is 2.0 secs Computing kpt #: 29 total cpu time spent up to now is 2.0 secs Computing kpt #: 30 total cpu time spent up to now is 2.1 secs Computing kpt #: 31 total cpu time spent up to now is 2.1 secs Computing kpt #: 32 total cpu time spent up to now is 2.2 secs Computing kpt #: 33 total cpu time spent up to now is 2.2 secs Computing kpt #: 34 total cpu time spent up to now is 2.3 secs Computing kpt #: 35 total cpu time spent up to now is 2.4 secs Computing kpt #: 36 total cpu time spent up to now is 2.4 secs Computing kpt #: 37 total cpu time spent up to now is 2.5 secs Computing kpt #: 38 total cpu time spent up to now is 2.5 secs Computing kpt #: 39 total cpu time spent up to now is 2.6 secs Computing kpt #: 40 total cpu time spent up to now is 2.6 secs Computing kpt #: 41 total cpu time spent up to now is 2.7 secs Computing kpt #: 42 total cpu time spent up to now is 2.8 secs Computing kpt #: 43 total cpu time spent up to now is 2.8 secs Computing kpt #: 44 total cpu time spent up to now is 2.9 secs Computing kpt #: 45 total cpu time spent up to now is 3.0 secs Computing kpt #: 46 total cpu time spent up to now is 3.0 secs Computing kpt #: 47 total cpu time spent up to now is 3.1 secs Computing kpt #: 48 total cpu time spent up to now is 3.9 secs Computing kpt #: 49 total cpu time spent up to now is 4.0 secs Computing kpt #: 50 total cpu time spent up to now is 4.1 secs Computing kpt #: 51 total cpu time spent up to now is 4.2 secs Computing kpt #: 52 total cpu time spent up to now is 4.2 secs Computing kpt #: 53 total cpu time spent up to now is 4.3 secs Computing kpt #: 54 total cpu time spent up to now is 4.3 secs Computing kpt #: 55 total cpu time spent up to now is 4.4 secs Computing kpt #: 56 total cpu time spent up to now is 4.5 secs Computing kpt #: 57 total cpu time spent up to now is 4.5 secs Computing kpt #: 58 total cpu time spent up to now is 4.6 secs Computing kpt #: 59 total cpu time spent up to now is 4.7 secs Computing kpt #: 60 total cpu time spent up to now is 4.7 secs Computing kpt #: 61 total cpu time spent up to now is 4.8 secs Computing kpt #: 62 total cpu time spent up to now is 4.9 secs Computing kpt #: 63 total cpu time spent up to now is 4.9 secs Computing kpt #: 64 total cpu time spent up to now is 5.0 secs Computing kpt #: 65 total cpu time spent up to now is 5.1 secs Computing kpt #: 66 total cpu time spent up to now is 5.1 secs Computing kpt #: 67 total cpu time spent up to now is 5.2 secs Computing kpt #: 68 total cpu time spent up to now is 5.3 secs Computing kpt #: 69 total cpu time spent up to now is 5.3 secs Computing kpt #: 70 total cpu time spent up to now is 5.4 secs Computing kpt #: 71 total cpu time spent up to now is 5.5 secs Computing kpt #: 72 total cpu time spent up to now is 5.5 secs Computing kpt #: 73 total cpu time spent up to now is 5.6 secs Computing kpt #: 74 total cpu time spent up to now is 5.7 secs Computing kpt #: 75 total cpu time spent up to now is 5.7 secs Computing kpt #: 76 total cpu time spent up to now is 5.8 secs Computing kpt #: 77 total cpu time spent up to now is 5.9 secs Computing kpt #: 78 total cpu time spent up to now is 5.9 secs Computing kpt #: 79 total cpu time spent up to now is 6.0 secs Computing kpt #: 80 total cpu time spent up to now is 6.1 secs Computing kpt #: 81 total cpu time spent up to now is 6.2 secs Computing kpt #: 82 total cpu time spent up to now is 6.3 secs Computing kpt #: 83 total cpu time spent up to now is 6.3 secs Computing kpt #: 84 total cpu time spent up to now is 6.4 secs Computing kpt #: 85 total cpu time spent up to now is 6.5 secs Computing kpt #: 86 total cpu time spent up to now is 6.6 secs Computing kpt #: 87 total cpu time spent up to now is 6.6 secs Computing kpt #: 88 total cpu time spent up to now is 6.7 secs Computing kpt #: 89 total cpu time spent up to now is 6.8 secs Computing kpt #: 90 total cpu time spent up to now is 6.9 secs Computing kpt #: 91 total cpu time spent up to now is 6.9 secs Computing kpt #: 92 total cpu time spent up to now is 7.0 secs Computing kpt #: 93 total cpu time spent up to now is 7.1 secs Computing kpt #: 94 total cpu time spent up to now is 7.2 secs Computing kpt #: 95 total cpu time spent up to now is 7.2 secs Computing kpt #: 96 total cpu time spent up to now is 7.3 secs Computing kpt #: 97 total cpu time spent up to now is 7.4 secs Computing kpt #: 98 total cpu time spent up to now is 7.5 secs Computing kpt #: 99 total cpu time spent up to now is 7.5 secs Computing kpt #: 100 total cpu time spent up to now is 7.6 secs Computing kpt #: 101 total cpu time spent up to now is 7.7 secs Computing kpt #: 102 total cpu time spent up to now is 7.8 secs Computing kpt #: 103 total cpu time spent up to now is 7.9 secs Computing kpt #: 104 total cpu time spent up to now is 8.0 secs Computing kpt #: 105 total cpu time spent up to now is 8.1 secs Computing kpt #: 106 total cpu time spent up to now is 8.2 secs Computing kpt #: 107 total cpu time spent up to now is 8.3 secs Computing kpt #: 108 total cpu time spent up to now is 8.4 secs Computing kpt #: 109 total cpu time spent up to now is 8.5 secs Computing kpt #: 110 total cpu time spent up to now is 8.6 secs Computing kpt #: 111 total cpu time spent up to now is 8.8 secs Computing kpt #: 112 total cpu time spent up to now is 8.9 secs Computing kpt #: 113 total cpu time spent up to now is 9.1 secs Computing kpt #: 114 total cpu time spent up to now is 9.3 secs Computing kpt #: 115 total cpu time spent up to now is 9.4 secs Computing kpt #: 116 total cpu time spent up to now is 9.6 secs Computing kpt #: 117 total cpu time spent up to now is 9.7 secs Computing kpt #: 118 total cpu time spent up to now is 9.8 secs Computing kpt #: 119 total cpu time spent up to now is 10.1 secs Computing kpt #: 120 total cpu time spent up to now is 10.2 secs Computing kpt #: 121 total cpu time spent up to now is 10.3 secs Computing kpt #: 122 total cpu time spent up to now is 10.4 secs Computing kpt #: 123 total cpu time spent up to now is 10.5 secs Computing kpt #: 124 total cpu time spent up to now is 10.6 secs Computing kpt #: 125 total cpu time spent up to now is 10.7 secs Computing kpt #: 126 total cpu time spent up to now is 10.8 secs Computing kpt #: 127 total cpu time spent up to now is 10.9 secs Computing kpt #: 128 total cpu time spent up to now is 10.9 secs Computing kpt #: 129 total cpu time spent up to now is 11.0 secs Computing kpt #: 130 total cpu time spent up to now is 11.1 secs Computing kpt #: 131 total cpu time spent up to now is 11.1 secs Computing kpt #: 132 total cpu time spent up to now is 11.2 secs Computing kpt #: 133 total cpu time spent up to now is 11.3 secs Computing kpt #: 134 total cpu time spent up to now is 11.3 secs Computing kpt #: 135 total cpu time spent up to now is 11.4 secs Computing kpt #: 136 total cpu time spent up to now is 11.5 secs Computing kpt #: 137 total cpu time spent up to now is 11.5 secs Computing kpt #: 138 total cpu time spent up to now is 11.6 secs Computing kpt #: 139 total cpu time spent up to now is 11.7 secs Computing kpt #: 140 total cpu time spent up to now is 11.7 secs Computing kpt #: 141 total cpu time spent up to now is 11.8 secs Computing kpt #: 142 total cpu time spent up to now is 11.8 secs Computing kpt #: 143 total cpu time spent up to now is 11.9 secs Computing kpt #: 144 total cpu time spent up to now is 12.0 secs Computing kpt #: 145 total cpu time spent up to now is 12.0 secs Computing kpt #: 146 total cpu time spent up to now is 12.1 secs Computing kpt #: 147 total cpu time spent up to now is 12.1 secs Computing kpt #: 148 total cpu time spent up to now is 12.2 secs Computing kpt #: 149 total cpu time spent up to now is 12.2 secs Computing kpt #: 150 total cpu time spent up to now is 12.3 secs Computing kpt #: 151 total cpu time spent up to now is 12.4 secs Computing kpt #: 152 total cpu time spent up to now is 12.4 secs Computing kpt #: 153 total cpu time spent up to now is 12.5 secs Computing kpt #: 154 total cpu time spent up to now is 12.5 secs Computing kpt #: 155 total cpu time spent up to now is 12.6 secs Computing kpt #: 156 total cpu time spent up to now is 12.6 secs Computing kpt #: 157 total cpu time spent up to now is 12.7 secs Computing kpt #: 158 total cpu time spent up to now is 12.7 secs Computing kpt #: 159 total cpu time spent up to now is 12.8 secs Computing kpt #: 160 total cpu time spent up to now is 12.8 secs Computing kpt #: 161 total cpu time spent up to now is 12.9 secs Computing kpt #: 162 total cpu time spent up to now is 12.9 secs Computing kpt #: 163 total cpu time spent up to now is 13.0 secs Computing kpt #: 164 total cpu time spent up to now is 13.0 secs Computing kpt #: 165 total cpu time spent up to now is 13.0 secs Computing kpt #: 166 total cpu time spent up to now is 13.1 secs Computing kpt #: 167 total cpu time spent up to now is 13.1 secs Computing kpt #: 168 total cpu time spent up to now is 13.2 secs Computing kpt #: 169 total cpu time spent up to now is 13.2 secs Computing kpt #: 170 total cpu time spent up to now is 13.3 secs Computing kpt #: 171 total cpu time spent up to now is 13.3 secs Computing kpt #: 172 total cpu time spent up to now is 13.4 secs Computing kpt #: 173 total cpu time spent up to now is 13.4 secs Computing kpt #: 174 total cpu time spent up to now is 13.5 secs Computing kpt #: 175 total cpu time spent up to now is 13.5 secs Computing kpt #: 176 total cpu time spent up to now is 13.6 secs Computing kpt #: 177 total cpu time spent up to now is 13.6 secs Computing kpt #: 178 total cpu time spent up to now is 13.6 secs Computing kpt #: 179 total cpu time spent up to now is 13.7 secs Computing kpt #: 180 total cpu time spent up to now is 13.7 secs Computing kpt #: 181 total cpu time spent up to now is 13.8 secs Computing kpt #: 182 total cpu time spent up to now is 13.8 secs Computing kpt #: 183 total cpu time spent up to now is 13.9 secs Computing kpt #: 184 total cpu time spent up to now is 13.9 secs Computing kpt #: 185 total cpu time spent up to now is 14.0 secs Computing kpt #: 186 total cpu time spent up to now is 14.0 secs Computing kpt #: 187 total cpu time spent up to now is 14.0 secs Computing kpt #: 188 total cpu time spent up to now is 14.1 secs Computing kpt #: 189 total cpu time spent up to now is 14.1 secs Computing kpt #: 190 total cpu time spent up to now is 14.2 secs Computing kpt #: 191 total cpu time spent up to now is 14.2 secs Computing kpt #: 192 total cpu time spent up to now is 14.3 secs Computing kpt #: 193 total cpu time spent up to now is 14.3 secs Computing kpt #: 194 total cpu time spent up to now is 14.4 secs Computing kpt #: 195 total cpu time spent up to now is 14.4 secs Computing kpt #: 196 total cpu time spent up to now is 14.5 secs Computing kpt #: 197 total cpu time spent up to now is 14.5 secs Computing kpt #: 198 total cpu time spent up to now is 14.6 secs Computing kpt #: 199 total cpu time spent up to now is 14.6 secs Computing kpt #: 200 total cpu time spent up to now is 14.7 secs Computing kpt #: 201 total cpu time spent up to now is 14.7 secs Computing kpt #: 202 total cpu time spent up to now is 14.7 secs Computing kpt #: 203 total cpu time spent up to now is 14.8 secs Computing kpt #: 204 total cpu time spent up to now is 14.8 secs Computing kpt #: 205 total cpu time spent up to now is 14.9 secs Computing kpt #: 206 total cpu time spent up to now is 14.9 secs Computing kpt #: 207 total cpu time spent up to now is 15.0 secs Computing kpt #: 208 total cpu time spent up to now is 15.0 secs Computing kpt #: 209 total cpu time spent up to now is 15.0 secs Computing kpt #: 210 total cpu time spent up to now is 15.1 secs Computing kpt #: 211 total cpu time spent up to now is 15.1 secs Computing kpt #: 212 total cpu time spent up to now is 15.2 secs Computing kpt #: 213 total cpu time spent up to now is 15.2 secs Computing kpt #: 214 total cpu time spent up to now is 15.3 secs Computing kpt #: 215 total cpu time spent up to now is 15.3 secs Computing kpt #: 216 total cpu time spent up to now is 15.4 secs Computing kpt #: 217 total cpu time spent up to now is 15.4 secs Computing kpt #: 218 total cpu time spent up to now is 15.5 secs Computing kpt #: 219 total cpu time spent up to now is 15.5 secs Computing kpt #: 220 total cpu time spent up to now is 15.6 secs Computing kpt #: 221 total cpu time spent up to now is 15.6 secs Computing kpt #: 222 total cpu time spent up to now is 15.6 secs Computing kpt #: 223 total cpu time spent up to now is 15.7 secs Computing kpt #: 224 total cpu time spent up to now is 15.7 secs Computing kpt #: 225 total cpu time spent up to now is 15.8 secs Computing kpt #: 226 total cpu time spent up to now is 15.8 secs Computing kpt #: 227 total cpu time spent up to now is 15.9 secs Computing kpt #: 228 total cpu time spent up to now is 15.9 secs Computing kpt #: 229 total cpu time spent up to now is 16.0 secs Computing kpt #: 230 total cpu time spent up to now is 16.0 secs Computing kpt #: 231 total cpu time spent up to now is 16.1 secs Computing kpt #: 232 total cpu time spent up to now is 16.1 secs Computing kpt #: 233 total cpu time spent up to now is 16.2 secs Computing kpt #: 234 total cpu time spent up to now is 16.2 secs Computing kpt #: 235 total cpu time spent up to now is 16.3 secs Computing kpt #: 236 total cpu time spent up to now is 16.3 secs Computing kpt #: 237 total cpu time spent up to now is 16.4 secs Computing kpt #: 238 total cpu time spent up to now is 16.4 secs Computing kpt #: 239 total cpu time spent up to now is 16.5 secs Computing kpt #: 240 total cpu time spent up to now is 16.6 secs Computing kpt #: 241 total cpu time spent up to now is 16.6 secs Computing kpt #: 242 total cpu time spent up to now is 16.7 secs Computing kpt #: 243 total cpu time spent up to now is 16.7 secs Computing kpt #: 244 total cpu time spent up to now is 16.8 secs Computing kpt #: 245 total cpu time spent up to now is 16.9 secs Computing kpt #: 246 total cpu time spent up to now is 16.9 secs Computing kpt #: 247 total cpu time spent up to now is 17.0 secs Computing kpt #: 248 total cpu time spent up to now is 17.1 secs Computing kpt #: 249 total cpu time spent up to now is 17.1 secs Computing kpt #: 250 total cpu time spent up to now is 17.2 secs Computing kpt #: 251 total cpu time spent up to now is 17.2 secs Computing kpt #: 252 total cpu time spent up to now is 17.3 secs Computing kpt #: 253 total cpu time spent up to now is 17.4 secs Computing kpt #: 254 total cpu time spent up to now is 17.4 secs Computing kpt #: 255 total cpu time spent up to now is 17.5 secs Computing kpt #: 256 total cpu time spent up to now is 17.6 secs Computing kpt #: 257 total cpu time spent up to now is 17.7 secs Computing kpt #: 258 total cpu time spent up to now is 17.7 secs Computing kpt #: 259 total cpu time spent up to now is 17.8 secs Computing kpt #: 260 total cpu time spent up to now is 17.9 secs Computing kpt #: 261 total cpu time spent up to now is 18.0 secs Computing kpt #: 262 total cpu time spent up to now is 18.0 secs Computing kpt #: 263 total cpu time spent up to now is 18.1 secs Computing kpt #: 264 total cpu time spent up to now is 18.2 secs Computing kpt #: 265 total cpu time spent up to now is 18.3 secs Computing kpt #: 266 total cpu time spent up to now is 18.3 secs Computing kpt #: 267 total cpu time spent up to now is 18.4 secs Computing kpt #: 268 total cpu time spent up to now is 18.5 secs Computing kpt #: 269 total cpu time spent up to now is 18.6 secs Computing kpt #: 270 total cpu time spent up to now is 18.6 secs Computing kpt #: 271 total cpu time spent up to now is 18.7 secs Computing kpt #: 272 total cpu time spent up to now is 18.8 secs Computing kpt #: 273 total cpu time spent up to now is 18.9 secs Computing kpt #: 274 total cpu time spent up to now is 18.9 secs Computing kpt #: 275 total cpu time spent up to now is 19.0 secs Computing kpt #: 276 total cpu time spent up to now is 19.1 secs Computing kpt #: 277 total cpu time spent up to now is 19.2 secs Computing kpt #: 278 total cpu time spent up to now is 19.3 secs Computing kpt #: 279 total cpu time spent up to now is 19.3 secs Computing kpt #: 280 total cpu time spent up to now is 19.4 secs Computing kpt #: 281 total cpu time spent up to now is 19.5 secs Computing kpt #: 282 total cpu time spent up to now is 19.6 secs Computing kpt #: 283 total cpu time spent up to now is 19.7 secs Computing kpt #: 284 total cpu time spent up to now is 19.8 secs Computing kpt #: 285 total cpu time spent up to now is 19.9 secs Computing kpt #: 286 total cpu time spent up to now is 19.9 secs Computing kpt #: 287 total cpu time spent up to now is 20.0 secs Computing kpt #: 288 total cpu time spent up to now is 20.1 secs Computing kpt #: 289 total cpu time spent up to now is 20.2 secs Computing kpt #: 290 total cpu time spent up to now is 20.3 secs Computing kpt #: 291 total cpu time spent up to now is 20.3 secs Computing kpt #: 292 total cpu time spent up to now is 20.4 secs Computing kpt #: 293 total cpu time spent up to now is 20.5 secs Computing kpt #: 294 total cpu time spent up to now is 20.6 secs Computing kpt #: 295 total cpu time spent up to now is 20.6 secs Computing kpt #: 296 total cpu time spent up to now is 20.7 secs Computing kpt #: 297 total cpu time spent up to now is 20.8 secs Computing kpt #: 298 total cpu time spent up to now is 20.9 secs Computing kpt #: 299 total cpu time spent up to now is 21.0 secs Computing kpt #: 300 total cpu time spent up to now is 21.0 secs Computing kpt #: 301 total cpu time spent up to now is 21.1 secs Computing kpt #: 302 total cpu time spent up to now is 21.2 secs Computing kpt #: 303 total cpu time spent up to now is 21.7 secs Computing kpt #: 304 total cpu time spent up to now is 21.8 secs Computing kpt #: 305 total cpu time spent up to now is 21.9 secs Computing kpt #: 306 total cpu time spent up to now is 21.9 secs Computing kpt #: 307 total cpu time spent up to now is 22.0 secs Computing kpt #: 308 total cpu time spent up to now is 22.1 secs Computing kpt #: 309 total cpu time spent up to now is 22.2 secs Computing kpt #: 310 total cpu time spent up to now is 22.3 secs Computing kpt #: 311 total cpu time spent up to now is 22.3 secs Computing kpt #: 312 total cpu time spent up to now is 22.4 secs Computing kpt #: 313 total cpu time spent up to now is 22.5 secs Computing kpt #: 314 total cpu time spent up to now is 22.6 secs Computing kpt #: 315 total cpu time spent up to now is 22.6 secs Computing kpt #: 316 total cpu time spent up to now is 22.7 secs Computing kpt #: 317 total cpu time spent up to now is 22.8 secs Computing kpt #: 318 total cpu time spent up to now is 22.9 secs Computing kpt #: 319 total cpu time spent up to now is 23.0 secs Computing kpt #: 320 total cpu time spent up to now is 23.1 secs Computing kpt #: 321 total cpu time spent up to now is 23.2 secs Computing kpt #: 322 total cpu time spent up to now is 23.3 secs Computing kpt #: 323 total cpu time spent up to now is 23.4 secs Computing kpt #: 324 total cpu time spent up to now is 23.5 secs Computing kpt #: 325 total cpu time spent up to now is 23.5 secs Computing kpt #: 326 total cpu time spent up to now is 23.6 secs Computing kpt #: 327 total cpu time spent up to now is 23.7 secs Computing kpt #: 328 total cpu time spent up to now is 23.8 secs Computing kpt #: 329 total cpu time spent up to now is 23.9 secs Computing kpt #: 330 total cpu time spent up to now is 24.0 secs Computing kpt #: 331 total cpu time spent up to now is 24.1 secs Computing kpt #: 332 total cpu time spent up to now is 24.2 secs Computing kpt #: 333 total cpu time spent up to now is 24.3 secs Computing kpt #: 334 total cpu time spent up to now is 24.4 secs Computing kpt #: 335 total cpu time spent up to now is 24.5 secs Computing kpt #: 336 total cpu time spent up to now is 24.6 secs Computing kpt #: 337 total cpu time spent up to now is 24.7 secs Computing kpt #: 338 total cpu time spent up to now is 24.8 secs Computing kpt #: 339 total cpu time spent up to now is 24.9 secs Computing kpt #: 340 total cpu time spent up to now is 25.1 secs Computing kpt #: 341 total cpu time spent up to now is 25.2 secs Computing kpt #: 342 total cpu time spent up to now is 25.4 secs Computing kpt #: 343 total cpu time spent up to now is 25.5 secs Computing kpt #: 344 total cpu time spent up to now is 25.6 secs Computing kpt #: 345 total cpu time spent up to now is 25.7 secs Computing kpt #: 346 total cpu time spent up to now is 25.9 secs Computing kpt #: 347 total cpu time spent up to now is 26.0 secs Computing kpt #: 348 total cpu time spent up to now is 26.1 secs Computing kpt #: 349 total cpu time spent up to now is 26.2 secs Computing kpt #: 350 total cpu time spent up to now is 26.3 secs Computing kpt #: 351 total cpu time spent up to now is 26.4 secs Computing kpt #: 352 total cpu time spent up to now is 26.5 secs Computing kpt #: 353 total cpu time spent up to now is 26.6 secs Computing kpt #: 354 total cpu time spent up to now is 26.6 secs Computing kpt #: 355 total cpu time spent up to now is 26.7 secs Computing kpt #: 356 total cpu time spent up to now is 26.8 secs Computing kpt #: 357 total cpu time spent up to now is 26.9 secs Computing kpt #: 358 total cpu time spent up to now is 27.0 secs Computing kpt #: 359 total cpu time spent up to now is 27.0 secs Computing kpt #: 360 total cpu time spent up to now is 27.1 secs Computing kpt #: 361 total cpu time spent up to now is 27.2 secs Computing kpt #: 362 total cpu time spent up to now is 27.3 secs Computing kpt #: 363 total cpu time spent up to now is 27.4 secs Computing kpt #: 364 total cpu time spent up to now is 27.5 secs Computing kpt #: 365 total cpu time spent up to now is 27.5 secs Computing kpt #: 366 total cpu time spent up to now is 27.6 secs Computing kpt #: 367 total cpu time spent up to now is 27.7 secs Computing kpt #: 368 total cpu time spent up to now is 27.8 secs Computing kpt #: 369 total cpu time spent up to now is 27.8 secs Computing kpt #: 370 total cpu time spent up to now is 27.9 secs Computing kpt #: 371 total cpu time spent up to now is 28.0 secs Computing kpt #: 372 total cpu time spent up to now is 28.0 secs Computing kpt #: 373 total cpu time spent up to now is 28.1 secs Computing kpt #: 374 total cpu time spent up to now is 28.2 secs Computing kpt #: 375 total cpu time spent up to now is 28.2 secs Computing kpt #: 376 total cpu time spent up to now is 28.3 secs Computing kpt #: 377 total cpu time spent up to now is 28.4 secs Computing kpt #: 378 total cpu time spent up to now is 28.4 secs Computing kpt #: 379 total cpu time spent up to now is 28.5 secs Computing kpt #: 380 total cpu time spent up to now is 28.6 secs Computing kpt #: 381 total cpu time spent up to now is 28.6 secs Computing kpt #: 382 total cpu time spent up to now is 28.7 secs Computing kpt #: 383 total cpu time spent up to now is 28.7 secs Computing kpt #: 384 total cpu time spent up to now is 28.8 secs Computing kpt #: 385 total cpu time spent up to now is 28.8 secs Computing kpt #: 386 total cpu time spent up to now is 28.9 secs Computing kpt #: 387 total cpu time spent up to now is 28.9 secs Computing kpt #: 388 total cpu time spent up to now is 29.0 secs Computing kpt #: 389 total cpu time spent up to now is 29.0 secs Computing kpt #: 390 total cpu time spent up to now is 29.1 secs Computing kpt #: 391 total cpu time spent up to now is 29.1 secs Computing kpt #: 392 total cpu time spent up to now is 29.2 secs Computing kpt #: 393 total cpu time spent up to now is 29.2 secs Computing kpt #: 394 total cpu time spent up to now is 29.3 secs Computing kpt #: 395 total cpu time spent up to now is 29.3 secs Computing kpt #: 396 total cpu time spent up to now is 29.4 secs Computing kpt #: 397 total cpu time spent up to now is 29.4 secs Computing kpt #: 398 total cpu time spent up to now is 29.5 secs Computing kpt #: 399 total cpu time spent up to now is 29.5 secs Computing kpt #: 400 total cpu time spent up to now is 29.6 secs Computing kpt #: 401 total cpu time spent up to now is 29.6 secs Computing kpt #: 402 total cpu time spent up to now is 29.7 secs Computing kpt #: 403 total cpu time spent up to now is 29.8 secs Computing kpt #: 404 total cpu time spent up to now is 29.8 secs Computing kpt #: 405 total cpu time spent up to now is 29.8 secs Computing kpt #: 406 total cpu time spent up to now is 29.9 secs Computing kpt #: 407 total cpu time spent up to now is 29.9 secs Computing kpt #: 408 total cpu time spent up to now is 30.0 secs Computing kpt #: 409 total cpu time spent up to now is 30.0 secs Computing kpt #: 410 total cpu time spent up to now is 30.1 secs Computing kpt #: 411 total cpu time spent up to now is 30.1 secs Computing kpt #: 412 total cpu time spent up to now is 30.2 secs Computing kpt #: 413 total cpu time spent up to now is 30.2 secs Computing kpt #: 414 total cpu time spent up to now is 30.3 secs Computing kpt #: 415 total cpu time spent up to now is 30.3 secs Computing kpt #: 416 total cpu time spent up to now is 30.4 secs Computing kpt #: 417 total cpu time spent up to now is 30.5 secs Computing kpt #: 418 total cpu time spent up to now is 30.5 secs Computing kpt #: 419 total cpu time spent up to now is 30.6 secs Computing kpt #: 420 total cpu time spent up to now is 30.7 secs Computing kpt #: 421 total cpu time spent up to now is 30.7 secs Computing kpt #: 422 total cpu time spent up to now is 30.8 secs Computing kpt #: 423 total cpu time spent up to now is 30.9 secs Computing kpt #: 424 total cpu time spent up to now is 30.9 secs Computing kpt #: 425 total cpu time spent up to now is 31.0 secs Computing kpt #: 426 total cpu time spent up to now is 31.1 secs Computing kpt #: 427 total cpu time spent up to now is 31.1 secs Computing kpt #: 428 total cpu time spent up to now is 31.2 secs Computing kpt #: 429 total cpu time spent up to now is 31.3 secs Computing kpt #: 430 total cpu time spent up to now is 31.3 secs Computing kpt #: 431 total cpu time spent up to now is 31.4 secs Computing kpt #: 432 total cpu time spent up to now is 31.5 secs Computing kpt #: 433 total cpu time spent up to now is 31.6 secs Computing kpt #: 434 total cpu time spent up to now is 31.6 secs Computing kpt #: 435 total cpu time spent up to now is 31.7 secs Computing kpt #: 436 total cpu time spent up to now is 31.8 secs Computing kpt #: 437 total cpu time spent up to now is 31.9 secs Computing kpt #: 438 total cpu time spent up to now is 32.0 secs Computing kpt #: 439 total cpu time spent up to now is 32.2 secs Computing kpt #: 440 total cpu time spent up to now is 32.3 secs Computing kpt #: 441 total cpu time spent up to now is 32.4 secs Computing kpt #: 442 total cpu time spent up to now is 32.6 secs Computing kpt #: 443 total cpu time spent up to now is 32.7 secs Computing kpt #: 444 total cpu time spent up to now is 32.8 secs Computing kpt #: 445 total cpu time spent up to now is 32.9 secs Computing kpt #: 446 total cpu time spent up to now is 33.0 secs Computing kpt #: 447 total cpu time spent up to now is 33.1 secs Computing kpt #: 448 total cpu time spent up to now is 33.3 secs Computing kpt #: 449 total cpu time spent up to now is 33.4 secs Computing kpt #: 450 total cpu time spent up to now is 33.5 secs Computing kpt #: 451 total cpu time spent up to now is 33.6 secs Computing kpt #: 452 total cpu time spent up to now is 33.7 secs Computing kpt #: 453 total cpu time spent up to now is 33.8 secs Computing kpt #: 454 total cpu time spent up to now is 33.9 secs Computing kpt #: 455 total cpu time spent up to now is 34.0 secs Computing kpt #: 456 total cpu time spent up to now is 34.1 secs Computing kpt #: 457 total cpu time spent up to now is 34.2 secs ethr = 1.67E-07, avg # of iterations = 19.6 total cpu time spent up to now is 34.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2277 PWs) bands (ev): -23.2894 -23.2894 -8.1911 -8.1911 -7.2133 -7.2133 -7.1858 -7.1858 0.5971 0.5971 2.6830 2.6830 3.9006 3.9006 k = 0.0000 0.0088-0.0000 ( 2277 PWs) bands (ev): -23.2891 -23.2891 -8.1908 -8.1908 -7.2141 -7.2141 -7.1865 -7.1865 0.5988 0.5988 2.6842 2.6842 3.9024 3.9024 k = 0.0000 0.0175-0.0000 ( 2273 PWs) bands (ev): -23.2883 -23.2883 -8.1899 -8.1899 -7.2168 -7.2168 -7.1884 -7.1884 0.6037 0.6037 2.6878 2.6878 3.9077 3.9077 k = 0.0000 0.0263-0.0000 ( 2267 PWs) bands (ev): -23.2869 -23.2869 -8.1884 -8.1884 -7.2222 -7.2222 -7.1905 -7.1905 0.6119 0.6119 2.6937 2.6937 3.9166 3.9166 k = 0.0000 0.0351-0.0000 ( 2267 PWs) bands (ev): -23.2850 -23.2850 -8.1863 -8.1863 -7.2313 -7.2313 -7.1919 -7.1919 0.6234 0.6234 2.7020 2.7020 3.9291 3.9291 k = 0.0000 0.0439-0.0000 ( 2261 PWs) bands (ev): -23.2825 -23.2825 -8.1836 -8.1836 -7.2442 -7.2442 -7.1924 -7.1924 0.6381 0.6381 2.7127 2.7127 3.9450 3.9450 k = 0.0000 0.0526-0.0000 ( 2261 PWs) bands (ev): -23.2795 -23.2795 -8.1803 -8.1803 -7.2607 -7.2607 -7.1920 -7.1920 0.6561 0.6561 2.7257 2.7257 3.9644 3.9644 k = 0.0000 0.0614-0.0000 ( 2261 PWs) bands (ev): -23.2759 -23.2759 -8.1765 -8.1765 -7.2807 -7.2807 -7.1911 -7.1911 0.6773 0.6773 2.7412 2.7412 3.9873 3.9873 k = 0.0000 0.0702-0.0000 ( 2261 PWs) bands (ev): -23.2719 -23.2719 -8.1720 -8.1720 -7.3038 -7.3038 -7.1897 -7.1897 0.7018 0.7018 2.7590 2.7590 4.0137 4.0137 k = 0.0000 0.0789-0.0000 ( 2265 PWs) bands (ev): -23.2673 -23.2673 -8.1671 -8.1671 -7.3299 -7.3299 -7.1879 -7.1879 0.7294 0.7294 2.7791 2.7791 4.0435 4.0435 k = 0.0000 0.0877-0.0000 ( 2263 PWs) bands (ev): -23.2623 -23.2623 -8.1615 -8.1615 -7.3588 -7.3588 -7.1857 -7.1857 0.7601 0.7601 2.8017 2.8017 4.0766 4.0766 k = 0.0000 0.0965-0.0000 ( 2265 PWs) bands (ev): -23.2567 -23.2567 -8.1555 -8.1555 -7.3903 -7.3903 -7.1833 -7.1833 0.7940 0.7940 2.8266 2.8266 4.1130 4.1130 k = 0.0000 0.1053-0.0000 ( 2269 PWs) bands (ev): -23.2507 -23.2507 -8.1489 -8.1489 -7.4243 -7.4243 -7.1807 -7.1807 0.8310 0.8310 2.8539 2.8539 4.1528 4.1528 k = 0.0000 0.1140-0.0000 ( 2261 PWs) bands (ev): -23.2443 -23.2443 -8.1419 -8.1419 -7.4606 -7.4606 -7.1777 -7.1777 0.8711 0.8711 2.8836 2.8836 4.1957 4.1957 k = 0.0000 0.1228-0.0000 ( 2261 PWs) bands (ev): -23.2374 -23.2374 -8.1344 -8.1344 -7.4992 -7.4992 -7.1746 -7.1746 0.9143 0.9143 2.9156 2.9156 4.2419 4.2419 k = 0.0000 0.1316-0.0000 ( 2261 PWs) bands (ev): -23.2300 -23.2300 -8.1264 -8.1264 -7.5397 -7.5397 -7.1713 -7.1713 0.9605 0.9605 2.9500 2.9500 4.2912 4.2912 k = 0.0000 0.1404-0.0000 ( 2257 PWs) bands (ev): -23.2223 -23.2223 -8.1180 -8.1180 -7.5821 -7.5821 -7.1677 -7.1677 1.0096 1.0096 2.9867 2.9867 4.3436 4.3436 k = 0.0000 0.1491-0.0000 ( 2259 PWs) bands (ev): -23.2142 -23.2142 -8.1092 -8.1092 -7.6262 -7.6262 -7.1640 -7.1640 1.0618 1.0618 3.0259 3.0259 4.3990 4.3990 k = 0.0000 0.1579-0.0000 ( 2259 PWs) bands (ev): -23.2058 -23.2058 -8.1000 -8.1000 -7.6719 -7.6719 -7.1601 -7.1601 1.1169 1.1169 3.0674 3.0674 4.4575 4.4575 k = 0.0000 0.1667-0.0000 ( 2263 PWs) bands (ev): -23.1970 -23.1970 -8.0905 -8.0905 -7.7188 -7.7188 -7.1561 -7.1561 1.1750 1.1750 3.1112 3.1112 4.5188 4.5188 k = 0.0000 0.1754-0.0000 ( 2259 PWs) bands (ev): -23.1879 -23.1879 -8.0807 -8.0807 -7.7670 -7.7670 -7.1519 -7.1519 1.2359 1.2359 3.1575 3.1575 4.5831 4.5831 k = 0.0000 0.1842-0.0000 ( 2255 PWs) bands (ev): -23.1785 -23.1785 -8.0706 -8.0706 -7.8161 -7.8161 -7.1476 -7.1476 1.2998 1.2998 3.2060 3.2060 4.6502 4.6502 k = 0.0000 0.1930-0.0000 ( 2255 PWs) bands (ev): -23.1689 -23.1689 -8.0603 -8.0603 -7.8661 -7.8661 -7.1432 -7.1432 1.3665 1.3665 3.2570 3.2570 4.7201 4.7201 k = 0.0000 0.2018-0.0000 ( 2265 PWs) bands (ev): -23.1590 -23.1590 -8.0499 -8.0499 -7.9165 -7.9165 -7.1387 -7.1387 1.4360 1.4360 3.3103 3.3103 4.7927 4.7927 k = 0.0000 0.2105-0.0000 ( 2263 PWs) bands (ev): -23.1489 -23.1489 -8.0400 -8.0400 -7.9669 -7.9669 -7.1341 -7.1341 1.5084 1.5084 3.3659 3.3660 4.8680 4.8680 k = 0.0000 0.2193-0.0000 ( 2263 PWs) bands (ev): -23.1387 -23.1387 -8.0364 -8.0364 -8.0111 -8.0111 -7.1294 -7.1294 1.5836 1.5836 3.4240 3.4240 4.9460 4.9460 k = 0.0000 0.2281-0.0000 ( 2271 PWs) bands (ev): -23.1283 -23.1283 -8.0752 -8.0752 -8.0129 -8.0129 -7.1246 -7.1246 1.6616 1.6616 3.4843 3.4843 5.0265 5.0265 k = 0.0000 0.2368-0.0000 ( 2275 PWs) bands (ev): -23.1178 -23.1178 -8.1258 -8.1258 -8.0028 -8.0028 -7.1199 -7.1199 1.7424 1.7424 3.5470 3.5470 5.1096 5.1096 k = 0.0000 0.2456-0.0000 ( 2284 PWs) bands (ev): -23.1072 -23.1072 -8.1773 -8.1773 -7.9918 -7.9918 -7.1151 -7.1151 1.8260 1.8260 3.6120 3.6120 5.1952 5.1952 k = 0.0000 0.2544-0.0000 ( 2286 PWs) bands (ev): -23.0965 -23.0965 -8.2287 -8.2287 -7.9805 -7.9805 -7.1103 -7.1103 1.9123 1.9123 3.6794 3.6794 5.2833 5.2833 k = 0.0000 0.2632-0.0000 ( 2280 PWs) bands (ev): -23.0859 -23.0859 -8.2798 -8.2798 -7.9691 -7.9691 -7.1054 -7.1054 2.0014 2.0014 3.7491 3.7491 5.3737 5.3737 k = 0.0000 0.2719-0.0000 ( 2274 PWs) bands (ev): -23.0752 -23.0752 -8.3303 -8.3303 -7.9576 -7.9576 -7.1006 -7.1006 2.0932 2.0932 3.8211 3.8211 5.4665 5.4665 k = 0.0000 0.2807-0.0000 ( 2274 PWs) bands (ev): -23.0646 -23.0646 -8.3802 -8.3802 -7.9462 -7.9462 -7.0958 -7.0958 2.1877 2.1877 3.8953 3.8953 5.5616 5.5616 k = 0.0000 0.2895-0.0000 ( 2280 PWs) bands (ev): -23.0541 -23.0541 -8.4294 -8.4294 -7.9349 -7.9349 -7.0911 -7.0911 2.2850 2.2850 3.9719 3.9719 5.6589 5.6589 k = 0.0000 0.2982-0.0000 ( 2280 PWs) bands (ev): -23.0436 -23.0436 -8.4775 -8.4775 -7.9237 -7.9237 -7.0865 -7.0865 2.3850 2.3850 4.0508 4.0508 5.7583 5.7583 k = 0.0000 0.3070-0.0000 ( 2280 PWs) bands (ev): -23.0334 -23.0334 -8.5246 -8.5246 -7.9127 -7.9127 -7.0819 -7.0819 2.4877 2.4877 4.1319 4.1319 5.8599 5.8599 k = 0.0000 0.3158-0.0000 ( 2280 PWs) bands (ev): -23.0233 -23.0233 -8.5705 -8.5705 -7.9019 -7.9019 -7.0774 -7.0774 2.5931 2.5931 4.2152 4.2152 5.9634 5.9634 k = 0.0000 0.3246-0.0000 ( 2280 PWs) bands (ev): -23.0134 -23.0134 -8.6150 -8.6150 -7.8912 -7.8912 -7.0730 -7.0730 2.7012 2.7012 4.3007 4.3007 6.0688 6.0688 k = 0.0000 0.3333-0.0000 ( 2278 PWs) bands (ev): -23.0037 -23.0037 -8.6581 -8.6581 -7.8809 -7.8809 -7.0687 -7.0687 2.8119 2.8119 4.3884 4.3884 6.1759 6.1759 k = 0.0000 0.3421-0.0000 ( 2288 PWs) bands (ev): -22.9944 -22.9944 -8.6997 -8.6997 -7.8708 -7.8708 -7.0645 -7.0645 2.9254 2.9254 4.4781 4.4781 6.2844 6.2844 k = 0.0000 0.3509-0.0000 ( 2288 PWs) bands (ev): -22.9853 -22.9853 -8.7397 -8.7397 -7.8611 -7.8611 -7.0605 -7.0605 3.0415 3.0415 4.5700 4.5700 6.3942 6.3942 k = 0.0000 0.3596-0.0000 ( 2278 PWs) bands (ev): -22.9766 -22.9766 -8.7779 -8.7779 -7.8517 -7.8517 -7.0566 -7.0566 3.1603 3.1603 4.6638 4.6638 6.5045 6.5045 k = 0.0000 0.3684-0.0000 ( 2278 PWs) bands (ev): -22.9682 -22.9682 -8.8142 -8.8142 -7.8428 -7.8428 -7.0530 -7.0530 3.2817 3.2817 4.7594 4.7594 6.6146 6.6146 k = 0.0000 0.3772-0.0000 ( 2278 PWs) bands (ev): -22.9602 -22.9602 -8.8486 -8.8486 -7.8342 -7.8342 -7.0494 -7.0494 3.4057 3.4057 4.8569 4.8569 6.7228 6.7228 k = 0.0000 0.3860-0.0000 ( 2278 PWs) bands (ev): -22.9527 -22.9527 -8.8811 -8.8811 -7.8262 -7.8262 -7.0461 -7.0461 3.5324 3.5324 4.9560 4.9560 6.8257 6.8257 k = 0.0000 0.3947-0.0000 ( 2274 PWs) bands (ev): -22.9455 -22.9455 -8.9114 -8.9114 -7.8186 -7.8186 -7.0430 -7.0430 3.6617 3.6617 5.0564 5.0564 6.9150 6.9150 k = 0.0000 0.4035-0.0000 ( 2274 PWs) bands (ev): -22.9389 -22.9389 -8.9396 -8.9396 -7.8115 -7.8115 -7.0401 -7.0401 3.7937 3.7937 5.1581 5.1581 6.9699 6.9699 k = 0.0000 0.4123-0.0000 ( 2276 PWs) bands (ev): -22.9328 -22.9328 -8.9655 -8.9655 -7.8049 -7.8049 -7.0374 -7.0374 3.9282 3.9282 5.2605 5.2605 6.9534 6.9534 k = 0.0000 0.4211-0.0000 ( 2278 PWs) bands (ev): -22.9271 -22.9271 -8.9892 -8.9892 -7.7989 -7.7989 -7.0350 -7.0350 4.0652 4.0652 5.3633 5.3633 6.8572 6.8572 k = 0.0000 0.4298-0.0000 ( 2278 PWs) bands (ev): -22.9221 -22.9221 -9.0105 -9.0105 -7.7935 -7.7935 -7.0327 -7.0327 4.2049 4.2049 5.4659 5.4659 6.7174 6.7174 k = 0.0000 0.4386-0.0000 ( 2282 PWs) bands (ev): -22.9175 -22.9175 -9.0295 -9.0295 -7.7886 -7.7886 -7.0308 -7.0308 4.3470 4.3470 5.5672 5.5672 6.5602 6.5602 k = 0.0000 0.4474-0.0000 ( 2272 PWs) bands (ev): -22.9136 -22.9136 -9.0460 -9.0460 -7.7844 -7.7844 -7.0290 -7.0290 4.4917 4.4917 5.6660 5.6660 6.3965 6.3965 k = 0.0000 0.4561-0.0000 ( 2268 PWs) bands (ev): -22.9102 -22.9102 -9.0600 -9.0600 -7.7808 -7.7808 -7.0276 -7.0276 4.6388 4.6388 5.7605 5.7605 6.2304 6.2304 k = 0.0000 0.4649-0.0000 ( 2268 PWs) bands (ev): -22.9074 -22.9074 -9.0715 -9.0715 -7.7778 -7.7778 -7.0263 -7.0263 4.7883 4.7883 5.8481 5.8481 6.0641 6.0641 k = 0.0000 0.4737-0.0000 ( 2268 PWs) bands (ev): -22.9052 -22.9052 -9.0805 -9.0805 -7.7755 -7.7755 -7.0254 -7.0254 4.9402 4.9402 5.8985 5.8985 5.9251 5.9251 k = 0.0000 0.4825-0.0000 ( 2268 PWs) bands (ev): -22.9037 -22.9037 -9.0869 -9.0869 -7.7738 -7.7738 -7.0247 -7.0247 5.0944 5.0944 5.7342 5.7342 5.9865 5.9865 k = 0.0000 0.4912-0.0000 ( 2260 PWs) bands (ev): -22.9027 -22.9027 -9.0908 -9.0908 -7.7728 -7.7728 -7.0243 -7.0243 5.2505 5.2505 5.5720 5.5720 6.0267 6.0267 k = 0.0000 0.5000-0.0000 ( 2252 PWs) bands (ev): -22.9024 -22.9024 -9.0921 -9.0921 -7.7725 -7.7725 -7.0242 -7.0242 5.3930 5.3930 5.4275 5.4275 6.0408 6.0408 k = 0.0000 0.5000-0.0000 ( 2252 PWs) bands (ev): -22.9024 -22.9024 -9.0921 -9.0921 -7.7725 -7.7725 -7.0242 -7.0242 5.3930 5.3930 5.4275 5.4275 6.0408 6.0408 k = 0.0088 0.5000-0.0000 ( 2264 PWs) bands (ev): -22.9022 -22.9022 -9.0918 -9.0918 -7.7723 -7.7723 -7.0255 -7.0255 5.3941 5.3941 5.4291 5.4291 6.0423 6.0423 k = 0.0175 0.5000-0.0000 ( 2268 PWs) bands (ev): -22.9014 -22.9014 -9.0908 -9.0908 -7.7716 -7.7716 -7.0295 -7.0295 5.3974 5.3974 5.4338 5.4338 6.0467 6.0467 k = 0.0263 0.5000-0.0000 ( 2272 PWs) bands (ev): -22.9002 -22.9002 -9.0891 -9.0891 -7.7705 -7.7705 -7.0362 -7.0362 5.4028 5.4028 5.4417 5.4417 6.0540 6.0540 k = 0.0351 0.5000-0.0000 ( 2272 PWs) bands (ev): -22.8985 -22.8985 -9.0868 -9.0868 -7.7690 -7.7690 -7.0454 -7.0454 5.4105 5.4105 5.4528 5.4528 6.0643 6.0643 k = 0.0439 0.5000-0.0000 ( 2272 PWs) bands (ev): -22.8963 -22.8963 -9.0838 -9.0838 -7.7670 -7.7670 -7.0572 -7.0572 5.4203 5.4203 5.4670 5.4670 6.0775 6.0775 k = 0.0526 0.5000-0.0000 ( 2272 PWs) bands (ev): -22.8937 -22.8937 -9.0802 -9.0802 -7.7646 -7.7646 -7.0716 -7.0716 5.4322 5.4322 5.4843 5.4843 6.0936 6.0936 k = 0.0614 0.5000-0.0000 ( 2268 PWs) bands (ev): -22.8905 -22.8905 -9.0759 -9.0759 -7.7618 -7.7618 -7.0884 -7.0884 5.4463 5.4463 5.5048 5.5048 6.1127 6.1127 k = 0.0702 0.5000-0.0000 ( 2268 PWs) bands (ev): -22.8869 -22.8869 -9.0710 -9.0710 -7.7585 -7.7585 -7.1077 -7.1077 5.4625 5.4625 5.5284 5.5284 6.1348 6.1348 k = 0.0789 0.5000-0.0000 ( 2268 PWs) bands (ev): -22.8829 -22.8829 -9.0655 -9.0655 -7.7549 -7.7549 -7.1292 -7.1292 5.4809 5.4809 5.5551 5.5551 6.1597 6.1597 k = 0.0877 0.5000-0.0000 ( 2272 PWs) bands (ev): -22.8784 -22.8784 -9.0595 -9.0595 -7.7508 -7.7508 -7.1530 -7.1530 5.5012 5.5012 5.5849 5.5849 6.1876 6.1876 k = 0.0965 0.5000-0.0000 ( 2276 PWs) bands (ev): -22.8735 -22.8735 -9.0528 -9.0528 -7.7464 -7.7464 -7.1790 -7.1790 5.5237 5.5237 5.6178 5.6178 6.2184 6.2184 k = 0.1053 0.5000-0.0000 ( 2272 PWs) bands (ev): -22.8682 -22.8682 -9.0455 -9.0455 -7.7416 -7.7416 -7.2070 -7.2070 5.5481 5.5481 5.6537 5.6537 6.2522 6.2522 k = 0.1140 0.5000-0.0000 ( 2272 PWs) bands (ev): -22.8625 -22.8625 -9.0377 -9.0377 -7.7365 -7.7365 -7.2370 -7.2370 5.5746 5.5746 5.6927 5.6927 6.2888 6.2889 k = 0.1228 0.5000-0.0000 ( 2276 PWs) bands (ev): -22.8564 -22.8564 -9.0294 -9.0294 -7.7310 -7.7310 -7.2688 -7.2688 5.6029 5.6029 5.7347 5.7347 6.3285 6.3285 k = 0.1316 0.5000-0.0000 ( 2280 PWs) bands (ev): -22.8500 -22.8500 -9.0206 -9.0206 -7.7252 -7.7252 -7.3023 -7.3023 5.6332 5.6332 5.7798 5.7798 6.3710 6.3710 k = 0.1404 0.5000-0.0000 ( 2276 PWs) bands (ev): -22.8431 -22.8431 -9.0113 -9.0113 -7.7191 -7.7191 -7.3374 -7.3374 5.6653 5.6653 5.8278 5.8278 6.4165 6.4165 k = 0.1491 0.5000-0.0000 ( 2268 PWs) bands (ev): -22.8360 -22.8360 -9.0015 -9.0015 -7.7126 -7.7126 -7.3740 -7.3740 5.6992 5.6992 5.8788 5.8788 6.4649 6.4649 k = 0.1579 0.5000-0.0000 ( 2268 PWs) bands (ev): -22.8285 -22.8285 -8.9913 -8.9913 -7.7060 -7.7060 -7.4119 -7.4119 5.7349 5.7349 5.9328 5.9328 6.5162 6.5162 k = 0.1667 0.5000-0.0000 ( 2268 PWs) bands (ev): -22.8208 -22.8208 -8.9807 -8.9807 -7.6991 -7.6991 -7.4510 -7.4510 5.7722 5.7722 5.9898 5.9898 6.5704 6.5704 k = 0.1754 0.5000-0.0000 ( 2268 PWs) bands (ev): -22.8127 -22.8127 -8.9698 -8.9698 -7.6920 -7.6920 -7.4911 -7.4911 5.8112 5.8112 6.0497 6.0497 6.6275 6.6275 k = 0.1842 0.5000-0.0000 ( 2260 PWs) bands (ev): -22.8045 -22.8045 -8.9585 -8.9585 -7.6848 -7.6848 -7.5321 -7.5321 5.8516 5.8516 6.1125 6.1125 6.6876 6.6876 k = 0.1930 0.5000-0.0000 ( 2258 PWs) bands (ev): -22.7960 -22.7960 -8.9468 -8.9468 -7.6777 -7.6777 -7.5736 -7.5736 5.8935 5.8935 6.1782 6.1782 6.7506 6.7506 k = 0.2018 0.5000-0.0000 ( 2262 PWs) bands (ev): -22.7872 -22.7872 -8.9349 -8.9349 -7.6714 -7.6714 -7.6148 -7.6148 5.9368 5.9368 6.2468 6.2468 6.8165 6.8165 k = 0.2105 0.5000-0.0000 ( 2266 PWs) bands (ev): -22.7784 -22.7784 -8.9228 -8.9228 -7.6735 -7.6735 -7.6479 -7.6479 5.9814 5.9814 6.3183 6.3183 6.8852 6.8852 k = 0.2193 0.5000-0.0000 ( 2262 PWs) bands (ev): -22.7693 -22.7693 -8.9104 -8.9104 -7.7077 -7.7077 -7.6493 -7.6493 6.0271 6.0271 6.3927 6.3927 6.9569 6.9569 k = 0.2281 0.5000-0.0000 ( 2258 PWs) bands (ev): -22.7602 -22.7602 -8.8979 -8.8979 -7.7502 -7.7502 -7.6425 -7.6425 6.0738 6.0738 6.4699 6.4699 7.0315 7.0315 k = 0.2368 0.5000-0.0000 ( 2254 PWs) bands (ev): -22.7509 -22.7509 -8.8852 -8.8852 -7.7937 -7.7937 -7.6347 -7.6347 6.1215 6.1215 6.5499 6.5499 7.1090 7.1090 k = 0.2456 0.5000-0.0000 ( 2254 PWs) bands (ev): -22.7416 -22.7416 -8.8725 -8.8725 -7.8374 -7.8374 -7.6267 -7.6267 6.1700 6.1700 6.6328 6.6328 7.1893 7.1893 k = 0.2544 0.5000-0.0000 ( 2254 PWs) bands (ev): -22.7323 -22.7323 -8.8596 -8.8596 -7.8812 -7.8812 -7.6185 -7.6185 6.2192 6.2192 6.7185 6.7185 7.2725 7.2725 k = 0.2632 0.5000-0.0000 ( 2260 PWs) bands (ev): -22.7229 -22.7229 -8.8468 -8.8468 -7.9247 -7.9247 -7.6102 -7.6102 6.2689 6.2689 6.8070 6.8070 7.3586 7.3586 k = 0.2719 0.5000-0.0000 ( 2268 PWs) bands (ev): -22.7135 -22.7135 -8.8340 -8.8340 -7.9678 -7.9678 -7.6019 -7.6019 6.3189 6.3189 6.8983 6.8983 7.4476 7.4476 k = 0.2807 0.5000-0.0000 ( 2264 PWs) bands (ev): -22.7042 -22.7042 -8.8212 -8.8212 -8.0104 -8.0104 -7.5937 -7.5937 6.3692 6.3692 6.9923 6.9923 7.5394 7.5394 k = 0.2895 0.5000-0.0000 ( 2266 PWs) bands (ev): -22.6950 -22.6950 -8.8085 -8.8085 -8.0524 -8.0524 -7.5855 -7.5855 6.4195 6.4195 7.0892 7.0892 7.6340 7.6340 k = 0.2982 0.5000-0.0000 ( 2266 PWs) bands (ev): -22.6858 -22.6858 -8.7959 -8.7959 -8.0937 -8.0937 -7.5774 -7.5774 6.4697 6.4697 7.1888 7.1888 7.7314 7.7314 k = 0.3070 0.5000-0.0000 ( 2270 PWs) bands (ev): -22.6768 -22.6768 -8.7836 -8.7836 -8.1341 -8.1341 -7.5695 -7.5695 6.5195 6.5195 7.2912 7.2912 7.8317 7.8317 k = 0.3158 0.5000-0.0000 ( 2270 PWs) bands (ev): -22.6680 -22.6680 -8.7714 -8.7714 -8.1735 -8.1735 -7.5616 -7.5616 6.5689 6.5689 7.3963 7.3963 7.9347 7.9347 k = 0.3246 0.5000-0.0000 ( 2274 PWs) bands (ev): -22.6593 -22.6593 -8.7595 -8.7595 -8.2118 -8.2118 -7.5540 -7.5540 6.6175 6.6175 7.5041 7.5041 8.0405 8.0405 k = 0.3333 0.5000-0.0000 ( 2274 PWs) bands (ev): -22.6508 -22.6508 -8.7479 -8.7479 -8.2490 -8.2490 -7.5465 -7.5465 6.6653 6.6653 7.6147 7.6147 8.1490 8.1490 k = 0.3421 0.5000-0.0000 ( 2270 PWs) bands (ev): -22.6426 -22.6426 -8.7366 -8.7366 -8.2848 -8.2848 -7.5393 -7.5393 6.7119 6.7119 7.7279 7.7279 8.2602 8.2602 k = 0.3509 0.5000-0.0000 ( 2270 PWs) bands (ev): -22.6347 -22.6347 -8.7257 -8.7257 -8.3192 -8.3192 -7.5323 -7.5323 6.7573 6.7573 7.8439 7.8439 8.3740 8.3740 k = 0.3596 0.5000-0.0000 ( 2262 PWs) bands (ev): -22.6270 -22.6270 -8.7152 -8.7152 -8.3522 -8.3522 -7.5255 -7.5255 6.8012 6.8012 7.9625 7.9625 8.4904 8.4904 k = 0.3684 0.5000-0.0000 ( 2262 PWs) bands (ev): -22.6197 -22.6197 -8.7051 -8.7051 -8.3836 -8.3836 -7.5191 -7.5191 6.8434 6.8434 8.0838 8.0838 8.6094 8.6094 k = 0.3772 0.5000-0.0000 ( 2262 PWs) bands (ev): -22.6127 -22.6127 -8.6956 -8.6956 -8.4134 -8.4134 -7.5129 -7.5129 6.8838 6.8838 8.2078 8.2078 8.7308 8.7308 k = 0.3860 0.5000-0.0000 ( 2262 PWs) bands (ev): -22.6061 -22.6061 -8.6865 -8.6865 -8.4414 -8.4414 -7.5071 -7.5071 6.9222 6.9222 8.3344 8.3344 8.8545 8.8545 k = 0.3947 0.5000-0.0000 ( 2262 PWs) bands (ev): -22.5999 -22.5999 -8.6781 -8.6781 -8.4676 -8.4676 -7.5017 -7.5017 6.9583 6.9583 8.4636 8.4636 8.9804 8.9804 k = 0.4035 0.5000-0.0000 ( 2272 PWs) bands (ev): -22.5941 -22.5941 -8.6702 -8.6702 -8.4919 -8.4919 -7.4966 -7.4966 6.9921 6.9921 8.5953 8.5953 9.1083 9.1083 k = 0.4123 0.5000-0.0000 ( 2272 PWs) bands (ev): -22.5888 -22.5888 -8.6629 -8.6629 -8.5143 -8.5143 -7.4919 -7.4919 7.0234 7.0234 8.7297 8.7297 9.2379 9.2379 k = 0.4211 0.5000-0.0000 ( 2280 PWs) bands (ev): -22.5838 -22.5838 -8.6564 -8.6564 -8.5347 -8.5347 -7.4875 -7.4875 7.0521 7.0521 8.8666 8.8666 9.3689 9.3689 k = 0.4298 0.5000-0.0000 ( 2274 PWs) bands (ev): -22.5794 -22.5794 -8.6505 -8.6505 -8.5529 -8.5529 -7.4836 -7.4836 7.0781 7.0781 9.0059 9.0059 9.5008 9.5008 k = 0.4386 0.5000-0.0000 ( 2296 PWs) bands (ev): -22.5754 -22.5754 -8.6455 -8.6455 -8.5690 -8.5690 -7.4802 -7.4802 7.1012 7.1012 9.1477 9.1477 9.6328 9.6328 k = 0.4474 0.5000-0.0000 ( 2284 PWs) bands (ev): -22.5720 -22.5720 -8.6413 -8.6413 -8.5827 -8.5827 -7.4771 -7.4771 7.1214 7.1214 9.2919 9.2919 9.7638 9.7639 k = 0.4561 0.5000-0.0000 ( 2288 PWs) bands (ev): -22.5690 -22.5690 -8.6382 -8.6382 -8.5940 -8.5940 -7.4746 -7.4746 7.1386 7.1386 9.4384 9.4384 9.8921 9.8922 k = 0.4649 0.5000-0.0000 ( 2280 PWs) bands (ev): -22.5666 -22.5666 -8.6362 -8.6362 -8.6026 -8.6026 -7.4724 -7.4724 7.1528 7.1528 9.5871 9.5871 10.0148 10.0148 k = 0.4737 0.5000-0.0000 ( 2284 PWs) bands (ev): -22.5647 -22.5647 -8.6356 -8.6356 -8.6084 -8.6084 -7.4708 -7.4708 7.1639 7.1639 9.7377 9.7377 10.1129 10.1129 k = 0.4825 0.5000-0.0000 ( 2296 PWs) bands (ev): -22.5633 -22.5633 -8.6361 -8.6361 -8.6117 -8.6117 -7.4696 -7.4696 7.1718 7.1718 9.8897 9.8897 10.1347 10.1347 k = 0.4912 0.5000-0.0000 ( 2296 PWs) bands (ev): -22.5625 -22.5625 -8.6368 -8.6368 -8.6131 -8.6131 -7.4689 -7.4689 7.1766 7.1766 10.0408 10.0408 10.1482 10.1482 k = 0.5000 0.5000-0.0000 ( 2296 PWs) bands (ev): -22.5623 -22.5623 -8.6372 -8.6372 -8.6135 -8.6135 -7.4686 -7.4686 7.1782 7.1782 10.1510 10.1510 10.1543 10.1543 k = 0.5000 0.5000-0.0000 ( 2296 PWs) bands (ev): -22.5623 -22.5623 -8.6372 -8.6372 -8.6135 -8.6135 -7.4686 -7.4686 7.1782 7.1782 10.1510 10.1510 10.1543 10.1543 k = 0.4938 0.4937-0.0000 ( 2296 PWs) bands (ev): -22.5625 -22.5625 -8.6368 -8.6368 -8.6132 -8.6132 -7.4689 -7.4689 7.1765 7.1765 10.0362 10.0362 10.1539 10.1539 k = 0.4875 0.4875-0.0000 ( 2296 PWs) bands (ev): -22.5634 -22.5634 -8.6357 -8.6357 -8.6120 -8.6120 -7.4696 -7.4696 7.1716 7.1716 9.8767 9.8767 10.1576 10.1576 k = 0.4813 0.4812-0.0000 ( 2288 PWs) bands (ev): -22.5647 -22.5647 -8.6338 -8.6338 -8.6101 -8.6101 -7.4708 -7.4708 7.1629 7.1629 9.7146 9.7146 10.0555 10.0555 k = 0.4750 0.4750-0.0000 ( 2284 PWs) bands (ev): -22.5667 -22.5667 -8.6313 -8.6313 -8.6073 -8.6073 -7.4725 -7.4725 7.1501 7.1501 9.5541 9.5541 9.9030 9.9031 k = 0.4688 0.4687-0.0000 ( 2284 PWs) bands (ev): -22.5692 -22.5692 -8.6281 -8.6281 -8.6037 -8.6037 -7.4747 -7.4747 7.1323 7.1323 9.3972 9.3972 9.7380 9.7380 k = 0.4625 0.4625-0.0000 ( 2286 PWs) bands (ev): -22.5722 -22.5722 -8.6243 -8.6243 -8.5991 -8.5991 -7.4773 -7.4773 7.1086 7.1086 9.2458 9.2458 9.5659 9.5659 k = 0.4562 0.4562-0.0000 ( 2280 PWs) bands (ev): -22.5758 -22.5758 -8.6200 -8.6200 -8.5936 -8.5936 -7.4805 -7.4805 7.0779 7.0779 9.1014 9.1014 9.3902 9.3902 k = 0.4500 0.4500-0.0000 ( 2278 PWs) bands (ev): -22.5799 -22.5799 -8.6151 -8.6151 -8.5870 -8.5870 -7.4841 -7.4841 7.0390 7.0390 8.9658 8.9658 9.2129 9.2129 k = 0.4437 0.4437-0.0000 ( 2280 PWs) bands (ev): -22.5845 -22.5845 -8.6098 -8.6098 -8.5794 -8.5794 -7.4882 -7.4882 6.9905 6.9905 8.8402 8.8402 9.0353 9.0353 k = 0.4375 0.4375-0.0000 ( 2276 PWs) bands (ev): -22.5896 -22.5896 -8.6040 -8.6040 -8.5708 -8.5708 -7.4927 -7.4927 6.9313 6.9313 8.7258 8.7258 8.8581 8.8581 k = 0.4313 0.4312-0.0000 ( 2280 PWs) bands (ev): -22.5953 -22.5953 -8.5977 -8.5977 -8.5611 -8.5611 -7.4978 -7.4978 6.8605 6.8605 8.6232 8.6232 8.6821 8.6821 k = 0.4250 0.4250-0.0000 ( 2268 PWs) bands (ev): -22.6015 -22.6015 -8.5909 -8.5909 -8.5504 -8.5504 -7.5032 -7.5032 6.7780 6.7780 8.5077 8.5077 8.5327 8.5327 k = 0.4188 0.4187-0.0000 ( 2268 PWs) bands (ev): -22.6081 -22.6081 -8.5835 -8.5835 -8.5387 -8.5387 -7.5092 -7.5092 6.6839 6.6839 8.3350 8.3350 8.4536 8.4536 k = 0.4125 0.4125-0.0000 ( 2270 PWs) bands (ev): -22.6153 -22.6153 -8.5756 -8.5756 -8.5260 -8.5260 -7.5156 -7.5156 6.5789 6.5789 8.1644 8.1644 8.3846 8.3846 k = 0.4062 0.4062-0.0000 ( 2274 PWs) bands (ev): -22.6229 -22.6229 -8.5672 -8.5672 -8.5124 -8.5124 -7.5224 -7.5224 6.4643 6.4643 7.9960 7.9960 8.3240 8.3240 k = 0.4000 0.4000-0.0000 ( 2270 PWs) bands (ev): -22.6310 -22.6310 -8.5581 -8.5581 -8.4979 -8.4979 -7.5297 -7.5297 6.3415 6.3415 7.8300 7.8300 8.2700 8.2700 k = 0.3937 0.3937-0.0000 ( 2270 PWs) bands (ev): -22.6396 -22.6396 -8.5483 -8.5483 -8.4824 -8.4824 -7.5374 -7.5374 6.2120 6.2120 7.6664 7.6664 8.2202 8.2202 k = 0.3875 0.3875-0.0000 ( 2270 PWs) bands (ev): -22.6486 -22.6486 -8.5379 -8.5379 -8.4661 -8.4661 -7.5455 -7.5455 6.0771 6.0771 7.5053 7.5053 8.1727 8.1727 k = 0.3812 0.3812-0.0000 ( 2266 PWs) bands (ev): -22.6580 -22.6580 -8.5269 -8.5269 -8.4490 -8.4490 -7.5541 -7.5541 5.9382 5.9382 7.3468 7.3468 8.1257 8.1257 k = 0.3750 0.3750-0.0000 ( 2266 PWs) bands (ev): -22.6679 -22.6679 -8.5151 -8.5151 -8.4310 -8.4310 -7.5630 -7.5630 5.7963 5.7963 7.1909 7.1909 8.0774 8.0774 k = 0.3688 0.3687-0.0000 ( 2262 PWs) bands (ev): -22.6781 -22.6781 -8.5026 -8.5026 -8.4123 -8.4123 -7.5724 -7.5724 5.6523 5.6523 7.0377 7.0377 8.0265 8.0265 k = 0.3625 0.3625-0.0000 ( 2262 PWs) bands (ev): -22.6887 -22.6887 -8.4894 -8.4894 -8.3928 -8.3928 -7.5821 -7.5821 5.5071 5.5071 6.8872 6.8872 7.9719 7.9719 k = 0.3563 0.3562-0.0000 ( 2258 PWs) bands (ev): -22.6997 -22.6997 -8.4754 -8.4754 -8.3725 -8.3725 -7.5922 -7.5922 5.3613 5.3613 6.7394 6.7394 7.9130 7.9130 k = 0.3500 0.3500-0.0000 ( 2258 PWs) bands (ev): -22.7110 -22.7110 -8.4607 -8.4607 -8.3515 -8.3515 -7.6027 -7.6027 5.2153 5.2153 6.5944 6.5944 7.8492 7.8492 k = 0.3438 0.3437-0.0000 ( 2262 PWs) bands (ev): -22.7227 -22.7227 -8.4452 -8.4452 -8.3299 -8.3299 -7.6136 -7.6136 5.0696 5.0696 6.4520 6.4520 7.7803 7.7803 k = 0.3375 0.3375-0.0000 ( 2262 PWs) bands (ev): -22.7347 -22.7347 -8.4290 -8.4290 -8.3076 -8.3076 -7.6247 -7.6247 4.9246 4.9246 6.3125 6.3125 7.7064 7.7064 k = 0.3312 0.3312-0.0000 ( 2262 PWs) bands (ev): -22.7470 -22.7470 -8.4120 -8.4120 -8.2847 -8.2847 -7.6363 -7.6363 4.7806 4.7806 6.1757 6.1757 7.6276 7.6276 k = 0.3250 0.3250-0.0000 ( 2262 PWs) bands (ev): -22.7596 -22.7596 -8.3941 -8.3941 -8.2612 -8.2612 -7.6481 -7.6481 4.6378 4.6378 6.0416 6.0416 7.5444 7.5444 k = 0.3187 0.3187-0.0000 ( 2256 PWs) bands (ev): -22.7724 -22.7724 -8.3755 -8.3755 -8.2372 -8.2372 -7.6602 -7.6602 4.4965 4.4965 5.9103 5.9103 7.4571 7.4571 k = 0.3125 0.3125-0.0000 ( 2260 PWs) bands (ev): -22.7854 -22.7854 -8.3562 -8.3562 -8.2126 -8.2126 -7.6726 -7.6726 4.3567 4.3567 5.7818 5.7818 7.3662 7.3662 k = 0.3063 0.3062-0.0000 ( 2260 PWs) bands (ev): -22.7987 -22.7987 -8.3360 -8.3360 -8.1876 -8.1876 -7.6852 -7.6852 4.2186 4.2186 5.6560 5.6560 7.2722 7.2722 k = 0.3000 0.3000-0.0000 ( 2260 PWs) bands (ev): -22.8122 -22.8122 -8.3151 -8.3151 -8.1620 -8.1620 -7.6981 -7.6981 4.0824 4.0824 5.5330 5.5330 7.1756 7.1756 k = 0.2938 0.2937-0.0000 ( 2260 PWs) bands (ev): -22.8259 -22.8259 -8.2933 -8.2933 -8.1361 -8.1361 -7.7112 -7.7112 3.9482 3.9482 5.4127 5.4127 7.0769 7.0769 k = 0.2875 0.2875-0.0000 ( 2254 PWs) bands (ev): -22.8397 -22.8397 -8.2709 -8.2709 -8.1098 -8.1098 -7.7245 -7.7245 3.8160 3.8160 5.2952 5.2952 6.9764 6.9764 k = 0.2812 0.2812-0.0000 ( 2248 PWs) bands (ev): -22.8536 -22.8536 -8.2476 -8.2476 -8.0832 -8.0832 -7.7380 -7.7380 3.6859 3.6859 5.1804 5.1804 6.8747 6.8747 k = 0.2750 0.2750-0.0000 ( 2252 PWs) bands (ev): -22.8677 -22.8677 -8.2237 -8.2237 -8.0562 -8.0562 -7.7517 -7.7517 3.5581 3.5581 5.0683 5.0683 6.7721 6.7721 k = 0.2687 0.2687-0.0000 ( 2252 PWs) bands (ev): -22.8819 -22.8819 -8.1991 -8.1991 -8.0290 -8.0290 -7.7655 -7.7655 3.4325 3.4325 4.9589 4.9589 6.6689 6.6689 k = 0.2625 0.2625-0.0000 ( 2248 PWs) bands (ev): -22.8961 -22.8961 -8.1737 -8.1737 -8.0016 -8.0016 -7.7794 -7.7794 3.3092 3.3092 4.8522 4.8522 6.5654 6.5654 k = 0.2562 0.2562-0.0000 ( 2248 PWs) bands (ev): -22.9104 -22.9104 -8.1477 -8.1477 -7.9741 -7.9741 -7.7933 -7.7933 3.1883 3.1883 4.7482 4.7482 6.4620 6.4620 k = 0.2500 0.2500-0.0000 ( 2252 PWs) bands (ev): -22.9247 -22.9247 -8.1211 -8.1211 -7.9465 -7.9465 -7.8073 -7.8073 3.0698 3.0698 4.6469 4.6469 6.3588 6.3588 k = 0.2437 0.2437-0.0000 ( 2260 PWs) bands (ev): -22.9390 -22.9390 -8.0939 -8.0939 -7.9189 -7.9189 -7.8210 -7.8210 2.9537 2.9537 4.5482 4.5482 6.2560 6.2560 k = 0.2375 0.2375-0.0000 ( 2260 PWs) bands (ev): -22.9533 -22.9533 -8.0662 -8.0662 -7.8920 -7.8920 -7.8342 -7.8342 2.8401 2.8401 4.4523 4.4523 6.1540 6.1540 k = 0.2313 0.2312-0.0000 ( 2260 PWs) bands (ev): -22.9675 -22.9675 -8.0380 -8.0380 -7.8689 -7.8689 -7.8434 -7.8434 2.7291 2.7291 4.3589 4.3589 6.0528 6.0528 k = 0.2250 0.2250-0.0000 ( 2258 PWs) bands (ev): -22.9817 -22.9817 -8.0094 -8.0094 -7.8687 -7.8687 -7.8297 -7.8297 2.6205 2.6205 4.2682 4.2682 5.9527 5.9527 k = 0.2188 0.2187-0.0000 ( 2260 PWs) bands (ev): -22.9958 -22.9958 -7.9806 -7.9806 -7.8804 -7.8804 -7.8038 -7.8038 2.5145 2.5145 4.1802 4.1802 5.8537 5.8537 k = 0.2125 0.2125-0.0000 ( 2272 PWs) bands (ev): -23.0098 -23.0098 -7.9522 -7.9522 -7.8928 -7.8928 -7.7766 -7.7766 2.4111 2.4111 4.0947 4.0947 5.7561 5.7561 k = 0.2062 0.2062-0.0000 ( 2270 PWs) bands (ev): -23.0237 -23.0237 -7.9284 -7.9284 -7.9004 -7.9004 -7.7492 -7.7492 2.3103 2.3103 4.0119 4.0119 5.6600 5.6600 k = 0.2000 0.2000-0.0000 ( 2274 PWs) bands (ev): -23.0374 -23.0374 -7.9280 -7.9280 -7.8843 -7.8843 -7.7219 -7.7219 2.2121 2.2121 3.9316 3.9316 5.5655 5.5655 k = 0.1938 0.1937-0.0000 ( 2272 PWs) bands (ev): -23.0509 -23.0509 -7.9396 -7.9396 -7.8560 -7.8560 -7.6948 -7.6948 2.1166 2.1166 3.8539 3.8539 5.4726 5.4726 k = 0.1875 0.1875-0.0000 ( 2272 PWs) bands (ev): -23.0643 -23.0643 -7.9526 -7.9526 -7.8260 -7.8260 -7.6680 -7.6680 2.0237 2.0237 3.7788 3.7788 5.3816 5.3816 k = 0.1812 0.1812-0.0000 ( 2268 PWs) bands (ev): -23.0774 -23.0774 -7.9658 -7.9658 -7.7955 -7.7955 -7.6414 -7.6414 1.9335 1.9335 3.7063 3.7063 5.2926 5.2926 k = 0.1750 0.1750-0.0000 ( 2268 PWs) bands (ev): -23.0903 -23.0903 -7.9789 -7.9789 -7.7648 -7.7648 -7.6152 -7.6152 1.8461 1.8461 3.6363 3.6363 5.2055 5.2055 k = 0.1688 0.1687-0.0000 ( 2272 PWs) bands (ev): -23.1029 -23.1029 -7.9920 -7.9920 -7.7341 -7.7341 -7.5895 -7.5895 1.7614 1.7614 3.5689 3.5689 5.1206 5.1206 k = 0.1625 0.1625-0.0000 ( 2276 PWs) bands (ev): -23.1153 -23.1153 -8.0048 -8.0048 -7.7034 -7.7034 -7.5642 -7.5642 1.6794 1.6794 3.5040 3.5040 5.0379 5.0379 k = 0.1562 0.1562-0.0000 ( 2268 PWs) bands (ev): -23.1273 -23.1273 -8.0174 -8.0174 -7.6729 -7.6729 -7.5394 -7.5394 1.6002 1.6002 3.4416 3.4416 4.9575 4.9575 k = 0.1500 0.1500-0.0000 ( 2272 PWs) bands (ev): -23.1391 -23.1391 -8.0297 -8.0297 -7.6426 -7.6426 -7.5151 -7.5151 1.5239 1.5239 3.3817 3.3817 4.8794 4.8794 k = 0.1437 0.1437-0.0000 ( 2276 PWs) bands (ev): -23.1505 -23.1505 -8.0418 -8.0418 -7.6127 -7.6127 -7.4914 -7.4914 1.4503 1.4503 3.3244 3.3244 4.8039 4.8039 k = 0.1375 0.1375-0.0000 ( 2268 PWs) bands (ev): -23.1616 -23.1616 -8.0535 -8.0535 -7.5831 -7.5831 -7.4684 -7.4684 1.3796 1.3796 3.2695 3.2695 4.7308 4.7308 k = 0.1313 0.1313-0.0000 ( 2272 PWs) bands (ev): -23.1723 -23.1723 -8.0648 -8.0648 -7.5541 -7.5541 -7.4461 -7.4461 1.3118 1.3118 3.2171 3.2171 4.6604 4.6604 k = 0.1250 0.1250-0.0000 ( 2272 PWs) bands (ev): -23.1826 -23.1826 -8.0758 -8.0758 -7.5257 -7.5257 -7.4244 -7.4244 1.2469 1.2469 3.1672 3.1672 4.5927 4.5927 k = 0.1187 0.1187-0.0000 ( 2270 PWs) bands (ev): -23.1925 -23.1925 -8.0864 -8.0864 -7.4980 -7.4980 -7.4035 -7.4035 1.1848 1.1848 3.1198 3.1198 4.5278 4.5278 k = 0.1125 0.1125-0.0000 ( 2270 PWs) bands (ev): -23.2020 -23.2020 -8.0966 -8.0966 -7.4710 -7.4710 -7.3834 -7.3834 1.1258 1.1258 3.0749 3.0749 4.4657 4.4657 k = 0.1062 0.1062-0.0000 ( 2274 PWs) bands (ev): -23.2111 -23.2111 -8.1063 -8.1063 -7.4449 -7.4449 -7.3641 -7.3641 1.0697 1.0697 3.0324 3.0324 4.4066 4.4066 k = 0.1000 0.1000-0.0000 ( 2278 PWs) bands (ev): -23.2198 -23.2198 -8.1156 -8.1156 -7.4198 -7.4198 -7.3456 -7.3456 1.0166 1.0166 2.9924 2.9924 4.3504 4.3504 k = 0.0938 0.0937-0.0000 ( 2270 PWs) bands (ev): -23.2280 -23.2280 -8.1244 -8.1244 -7.3957 -7.3957 -7.3280 -7.3280 0.9666 0.9666 2.9548 2.9548 4.2972 4.2972 k = 0.0875 0.0875-0.0000 ( 2272 PWs) bands (ev): -23.2357 -23.2357 -8.1328 -8.1328 -7.3728 -7.3728 -7.3114 -7.3114 0.9196 0.9196 2.9197 2.9197 4.2472 4.2472 k = 0.0813 0.0812-0.0000 ( 2268 PWs) bands (ev): -23.2429 -23.2429 -8.1406 -8.1406 -7.3511 -7.3511 -7.2956 -7.2956 0.8757 0.8757 2.8871 2.8871 4.2003 4.2003 k = 0.0750 0.0750-0.0000 ( 2272 PWs) bands (ev): -23.2497 -23.2497 -8.1479 -8.1479 -7.3308 -7.3308 -7.2808 -7.2808 0.8349 0.8349 2.8568 2.8568 4.1567 4.1567 k = 0.0688 0.0688-0.0000 ( 2273 PWs) bands (ev): -23.2559 -23.2559 -8.1547 -8.1547 -7.3119 -7.3119 -7.2669 -7.2669 0.7972 0.7972 2.8290 2.8290 4.1164 4.1164 k = 0.0625 0.0625-0.0000 ( 2275 PWs) bands (ev): -23.2616 -23.2616 -8.1609 -8.1609 -7.2945 -7.2945 -7.2539 -7.2539 0.7628 0.7628 2.8037 2.8037 4.0793 4.0793 k = 0.0563 0.0562-0.0000 ( 2275 PWs) bands (ev): -23.2668 -23.2668 -8.1666 -8.1666 -7.2788 -7.2788 -7.2420 -7.2420 0.7315 0.7315 2.7807 2.7807 4.0457 4.0457 k = 0.0500 0.0500-0.0000 ( 2273 PWs) bands (ev): -23.2715 -23.2715 -8.1717 -8.1717 -7.2647 -7.2647 -7.2310 -7.2310 0.7034 0.7034 2.7602 2.7602 4.0155 4.0155 k = 0.0437 0.0437-0.0000 ( 2267 PWs) bands (ev): -23.2757 -23.2757 -8.1762 -8.1762 -7.2523 -7.2523 -7.2210 -7.2210 0.6786 0.6786 2.7421 2.7421 3.9887 3.9887 k = 0.0375 0.0375-0.0000 ( 2265 PWs) bands (ev): -23.2793 -23.2793 -8.1801 -8.1801 -7.2417 -7.2417 -7.2121 -7.2121 0.6571 0.6571 2.7264 2.7264 3.9654 3.9654 k = 0.0312 0.0312-0.0000 ( 2265 PWs) bands (ev): -23.2824 -23.2824 -8.1835 -8.1835 -7.2329 -7.2329 -7.2043 -7.2043 0.6388 0.6388 2.7131 2.7131 3.9457 3.9457 k = 0.0250 0.0250-0.0000 ( 2265 PWs) bands (ev): -23.2849 -23.2849 -8.1862 -8.1862 -7.2257 -7.2257 -7.1978 -7.1978 0.6238 0.6238 2.7023 2.7023 3.9295 3.9295 k = 0.0187 0.0187-0.0000 ( 2269 PWs) bands (ev): -23.2868 -23.2868 -8.1884 -8.1884 -7.2203 -7.2203 -7.1926 -7.1926 0.6122 0.6122 2.6939 2.6939 3.9169 3.9169 k = 0.0125 0.0125-0.0000 ( 2273 PWs) bands (ev): -23.2882 -23.2882 -8.1899 -8.1899 -7.2164 -7.2164 -7.1889 -7.1889 0.6038 0.6038 2.6878 2.6878 3.9079 3.9079 k = 0.0063 0.0062-0.0000 ( 2275 PWs) bands (ev): -23.2891 -23.2891 -8.1908 -8.1908 -7.2141 -7.2141 -7.1866 -7.1866 0.5988 0.5988 2.6842 2.6842 3.9024 3.9024 k = 0.0000 0.0000 0.0000 ( 2277 PWs) bands (ev): -23.2894 -23.2894 -8.1911 -8.1911 -7.2133 -7.2133 -7.1858 -7.1858 0.5971 0.5971 2.6830 2.6830 3.9006 3.9006 k = 0.0000 0.0000 0.0000 ( 2277 PWs) bands (ev): -23.2894 -23.2894 -8.1911 -8.1911 -7.2133 -7.2133 -7.1858 -7.1858 0.5971 0.5971 2.6830 2.6830 3.9006 3.9006 k = 0.0000 0.0000 0.0088 ( 2277 PWs) bands (ev): -23.2894 -23.2894 -8.1912 -8.1912 -7.2133 -7.2133 -7.1858 -7.1858 0.5989 0.5989 2.6720 2.6720 3.9138 3.9138 k = 0.0000 0.0000 0.0177 ( 2265 PWs) bands (ev): -23.2894 -23.2894 -8.1912 -8.1912 -7.2133 -7.2133 -7.1858 -7.1858 0.6042 0.6042 2.6404 2.6404 3.9521 3.9521 k = 0.0000 0.0000 0.0265 ( 2265 PWs) bands (ev): -23.2894 -23.2894 -8.1912 -8.1912 -7.2133 -7.2133 -7.1858 -7.1858 0.6129 0.6129 2.5915 2.5915 4.0121 4.0121 k = 0.0000 0.0000 0.0353 ( 2265 PWs) bands (ev): -23.2894 -23.2894 -8.1912 -8.1912 -7.2133 -7.2133 -7.1858 -7.1858 0.6252 0.6252 2.5296 2.5296 4.0895 4.0895 k = 0.0000 0.0000 0.0441 ( 2249 PWs) bands (ev): -23.2894 -23.2894 -8.1912 -8.1912 -7.2133 -7.2133 -7.1858 -7.1858 0.6409 0.6409 2.4583 2.4583 4.1807 4.1807 k = 0.0000 0.0000 0.0530 ( 2249 PWs) bands (ev): -23.2894 -23.2894 -8.1913 -8.1913 -7.2133 -7.2133 -7.1858 -7.1858 0.6601 0.6601 2.3808 2.3808 4.2826 4.2826 k = 0.0000 0.0000 0.0618 ( 2249 PWs) bands (ev): -23.2894 -23.2894 -8.1914 -8.1914 -7.2133 -7.2133 -7.1858 -7.1858 0.6827 0.6827 2.2993 2.2993 4.3929 4.3929 k = 0.0000 0.0000 0.0706 ( 2261 PWs) bands (ev): -23.2894 -23.2894 -8.1914 -8.1914 -7.2133 -7.2133 -7.1858 -7.1858 0.7088 0.7088 2.2155 2.2155 4.5099 4.5099 k = 0.0000 0.0000 0.0794 ( 2257 PWs) bands (ev): -23.2894 -23.2894 -8.1915 -8.1915 -7.2133 -7.2133 -7.1858 -7.1858 0.7382 0.7382 2.1306 2.1306 4.6324 4.6324 k = 0.0000 0.0000 0.0883 ( 2257 PWs) bands (ev): -23.2894 -23.2894 -8.1915 -8.1915 -7.2133 -7.2133 -7.1858 -7.1858 0.7710 0.7710 2.0455 2.0455 4.7595 4.7595 k = 0.0000 0.0000 0.0971 ( 2269 PWs) bands (ev): -23.2894 -23.2894 -8.1916 -8.1916 -7.2133 -7.2133 -7.1858 -7.1858 0.8071 0.8071 1.9609 1.9609 4.8905 4.8905 k = 0.0000 0.0000 0.1059 ( 2261 PWs) bands (ev): -23.2894 -23.2894 -8.1917 -8.1917 -7.2133 -7.2133 -7.1858 -7.1858 0.8466 0.8466 1.8773 1.8773 5.0247 5.0247 k = 0.0000 0.0000 0.1148 ( 2256 PWs) bands (ev): -23.2894 -23.2894 -8.1917 -8.1917 -7.2133 -7.2133 -7.1858 -7.1858 0.8892 0.8892 1.7950 1.7950 5.1618 5.1618 k = 0.0000 0.0000 0.1236 ( 2256 PWs) bands (ev): -23.2894 -23.2894 -8.1918 -8.1918 -7.2133 -7.2133 -7.1858 -7.1858 0.9351 0.9351 1.7145 1.7145 5.3011 5.3011 k = 0.0000 0.0000 0.1324 ( 2264 PWs) bands (ev): -23.2894 -23.2894 -8.1919 -8.1919 -7.2133 -7.2133 -7.1858 -7.1858 0.9840 0.9840 1.6358 1.6358 5.4421 5.4421 k = 0.0000 0.0000 0.1412 ( 2256 PWs) bands (ev): -23.2894 -23.2894 -8.1919 -8.1919 -7.2133 -7.2133 -7.1858 -7.1858 1.0360 1.0360 1.5594 1.5594 5.5838 5.5838 k = 0.0000 0.0000 0.1501 ( 2264 PWs) bands (ev): -23.2894 -23.2894 -8.1919 -8.1919 -7.2133 -7.2133 -7.1858 -7.1858 1.0909 1.0909 1.4854 1.4854 5.7244 5.7244 k = 0.0000 0.0000 0.1589 ( 2264 PWs) bands (ev): -23.2894 -23.2894 -8.1920 -8.1920 -7.2133 -7.2133 -7.1858 -7.1858 1.1484 1.1484 1.4142 1.4142 5.8594 5.8594 k = 0.0000 0.0000 0.1677 ( 2264 PWs) bands (ev): -23.2894 -23.2894 -8.1920 -8.1920 -7.2133 -7.2133 -7.1858 -7.1858 1.2075 1.2075 1.3469 1.3469 5.9754 5.9754 k = 0.0000 0.0000 0.1766 ( 2264 PWs) bands (ev): -23.2894 -23.2894 -8.1920 -8.1920 -7.2133 -7.2133 -7.1858 -7.1858 1.2516 1.2516 1.3000 1.3000 6.0294 6.0294 k = 0.0000 0.0000 0.1766 ( 2264 PWs) bands (ev): -23.2894 -23.2894 -8.1920 -8.1920 -7.2133 -7.2133 -7.1858 -7.1858 1.2516 1.2516 1.3000 1.3000 6.0294 6.0294 k = 0.0000 0.0088 0.1766 ( 2264 PWs) bands (ev): -23.2891 -23.2891 -8.1917 -8.1917 -7.2141 -7.2141 -7.1865 -7.1865 1.2529 1.2529 1.3018 1.3018 6.0305 6.0305 k = 0.0000 0.0175 0.1766 ( 2264 PWs) bands (ev): -23.2883 -23.2883 -8.1908 -8.1908 -7.2168 -7.2168 -7.1884 -7.1884 1.2570 1.2570 1.3070 1.3070 6.0337 6.0337 k = 0.0000 0.0263 0.1766 ( 2260 PWs) bands (ev): -23.2869 -23.2869 -8.1893 -8.1893 -7.2222 -7.2222 -7.1905 -7.1905 1.2638 1.2638 1.3158 1.3158 6.0390 6.0390 k = 0.0000 0.0351 0.1766 ( 2260 PWs) bands (ev): -23.2849 -23.2849 -8.1871 -8.1871 -7.2313 -7.2313 -7.1919 -7.1919 1.2732 1.2732 1.3282 1.3282 6.0464 6.0464 k = 0.0000 0.0439 0.1766 ( 2264 PWs) bands (ev): -23.2825 -23.2825 -8.1844 -8.1844 -7.2442 -7.2442 -7.1924 -7.1924 1.2854 1.2854 1.3439 1.3439 6.0559 6.0559 k = 0.0000 0.0526 0.1766 ( 2260 PWs) bands (ev): -23.2795 -23.2795 -8.1811 -8.1811 -7.2607 -7.2607 -7.1921 -7.1921 1.3003 1.3003 1.3632 1.3632 6.0676 6.0676 k = 0.0000 0.0614 0.1766 ( 2260 PWs) bands (ev): -23.2759 -23.2759 -8.1773 -8.1773 -7.2807 -7.2807 -7.1911 -7.1911 1.3179 1.3179 1.3858 1.3858 6.0814 6.0814 k = 0.0000 0.0702 0.1766 ( 2264 PWs) bands (ev): -23.2719 -23.2719 -8.1728 -8.1728 -7.3038 -7.3038 -7.1897 -7.1897 1.3382 1.3382 1.4119 1.4119 6.0973 6.0973 k = 0.0000 0.0789 0.1766 ( 2260 PWs) bands (ev): -23.2673 -23.2673 -8.1679 -8.1679 -7.3299 -7.3299 -7.1879 -7.1879 1.3612 1.3612 1.4413 1.4413 6.1153 6.1153 k = 0.0000 0.0877 0.1766 ( 2266 PWs) bands (ev): -23.2623 -23.2623 -8.1623 -8.1623 -7.3588 -7.3588 -7.1857 -7.1857 1.3869 1.3869 1.4741 1.4741 6.1354 6.1354 k = 0.0000 0.0965 0.1766 ( 2260 PWs) bands (ev): -23.2567 -23.2567 -8.1563 -8.1563 -7.3903 -7.3903 -7.1833 -7.1833 1.4154 1.4154 1.5101 1.5101 6.1576 6.1576 k = 0.0000 0.1053 0.1766 ( 2260 PWs) bands (ev): -23.2507 -23.2507 -8.1497 -8.1497 -7.4243 -7.4243 -7.1806 -7.1806 1.4465 1.4465 1.5494 1.5494 6.1819 6.1819 k = 0.0000 0.1140 0.1766 ( 2264 PWs) bands (ev): -23.2443 -23.2443 -8.1426 -8.1426 -7.4606 -7.4606 -7.1777 -7.1777 1.4803 1.4803 1.5918 1.5918 6.2083 6.2083 k = 0.0000 0.1228 0.1766 ( 2258 PWs) bands (ev): -23.2374 -23.2374 -8.1351 -8.1351 -7.4992 -7.4992 -7.1746 -7.1746 1.5168 1.5168 1.6374 1.6374 6.2368 6.2368 k = 0.0000 0.1316 0.1766 ( 2258 PWs) bands (ev): -23.2300 -23.2300 -8.1271 -8.1271 -7.5397 -7.5397 -7.1712 -7.1712 1.5561 1.5561 1.6861 1.6861 6.2674 6.2674 k = 0.0000 0.1404 0.1766 ( 2262 PWs) bands (ev): -23.2223 -23.2223 -8.1187 -8.1187 -7.5821 -7.5821 -7.1677 -7.1677 1.5980 1.5980 1.7379 1.7379 6.3000 6.3000 k = 0.0000 0.1491 0.1766 ( 2262 PWs) bands (ev): -23.2142 -23.2142 -8.1099 -8.1099 -7.6262 -7.6262 -7.1640 -7.1640 1.6426 1.6426 1.7926 1.7926 6.3347 6.3347 k = 0.0000 0.1579 0.1766 ( 2266 PWs) bands (ev): -23.2058 -23.2058 -8.1007 -8.1007 -7.6718 -7.6718 -7.1601 -7.1601 1.6899 1.6899 1.8503 1.8503 6.3715 6.3715 k = 0.0000 0.1667 0.1766 ( 2266 PWs) bands (ev): -23.1970 -23.1970 -8.0912 -8.0912 -7.7188 -7.7188 -7.1561 -7.1561 1.7400 1.7400 1.9110 1.9110 6.4103 6.4103 k = 0.0000 0.1754 0.1766 ( 2266 PWs) bands (ev): -23.1879 -23.1879 -8.0813 -8.0813 -7.7670 -7.7670 -7.1519 -7.1519 1.7927 1.7927 1.9745 1.9745 6.4511 6.4511 k = 0.0000 0.1842 0.1766 ( 2266 PWs) bands (ev): -23.1785 -23.1785 -8.0712 -8.0712 -7.8161 -7.8161 -7.1476 -7.1476 1.8481 1.8481 2.0409 2.0409 6.4939 6.4939 k = 0.0000 0.1930 0.1766 ( 2266 PWs) bands (ev): -23.1689 -23.1689 -8.0609 -8.0609 -7.8660 -7.8660 -7.1432 -7.1432 1.9062 1.9062 2.1100 2.1100 6.5387 6.5387 k = 0.0000 0.2018 0.1766 ( 2268 PWs) bands (ev): -23.1590 -23.1590 -8.0505 -8.0505 -7.9165 -7.9165 -7.1387 -7.1387 1.9670 1.9670 2.1820 2.1820 6.5854 6.5854 k = 0.0000 0.2105 0.1766 ( 2268 PWs) bands (ev): -23.1489 -23.1489 -8.0405 -8.0405 -7.9669 -7.9669 -7.1341 -7.1341 2.0305 2.0305 2.2567 2.2567 6.6341 6.6341 k = 0.0000 0.2193 0.1766 ( 2264 PWs) bands (ev): -23.1387 -23.1387 -8.0367 -8.0367 -8.0112 -8.0112 -7.1294 -7.1294 2.0967 2.0967 2.3340 2.3340 6.6846 6.6846 k = 0.0000 0.2281 0.1766 ( 2268 PWs) bands (ev): -23.1283 -23.1283 -8.0752 -8.0752 -8.0134 -8.0134 -7.1246 -7.1246 2.1656 2.1656 2.4141 2.4141 6.7370 6.7370 k = 0.0000 0.2368 0.1766 ( 2258 PWs) bands (ev): -23.1178 -23.1178 -8.1258 -8.1258 -8.0033 -8.0033 -7.1199 -7.1199 2.2372 2.2372 2.4968 2.4968 6.7912 6.7912 k = 0.0000 0.2456 0.1766 ( 2264 PWs) bands (ev): -23.1072 -23.1072 -8.1773 -8.1773 -7.9922 -7.9922 -7.1151 -7.1151 2.3114 2.3114 2.5821 2.5821 6.8470 6.8470 k = 0.0000 0.2544 0.1766 ( 2264 PWs) bands (ev): -23.0965 -23.0965 -8.2286 -8.2286 -7.9809 -7.9809 -7.1102 -7.1102 2.3883 2.3883 2.6700 2.6700 6.9045 6.9045 k = 0.0000 0.2632 0.1766 ( 2262 PWs) bands (ev): -23.0858 -23.0858 -8.2797 -8.2797 -7.9695 -7.9695 -7.1054 -7.1054 2.4679 2.4679 2.7605 2.7605 6.9634 6.9634 k = 0.0000 0.2719 0.1766 ( 2262 PWs) bands (ev): -23.0752 -23.0752 -8.3303 -8.3303 -7.9580 -7.9580 -7.1006 -7.1006 2.5502 2.5502 2.8535 2.8535 7.0237 7.0237 k = 0.0000 0.2807 0.1766 ( 2270 PWs) bands (ev): -23.0646 -23.0646 -8.3802 -8.3802 -7.9466 -7.9466 -7.0959 -7.0959 2.6351 2.6351 2.9491 2.9491 7.0852 7.0852 k = 0.0000 0.2895 0.1766 ( 2272 PWs) bands (ev): -23.0541 -23.0541 -8.4293 -8.4293 -7.9353 -7.9353 -7.0911 -7.0911 2.7227 2.7227 3.0472 3.0472 7.1475 7.1475 k = 0.0000 0.2982 0.1766 ( 2274 PWs) bands (ev): -23.0436 -23.0436 -8.4775 -8.4775 -7.9241 -7.9241 -7.0865 -7.0865 2.8130 2.8130 3.1477 3.1477 7.2104 7.2104 k = 0.0000 0.3070 0.1766 ( 2276 PWs) bands (ev): -23.0334 -23.0334 -8.5245 -8.5245 -7.9130 -7.9130 -7.0819 -7.0819 2.9059 2.9059 3.2508 3.2508 7.2733 7.2733 k = 0.0000 0.3158 0.1766 ( 2278 PWs) bands (ev): -23.0233 -23.0233 -8.5704 -8.5704 -7.9022 -7.9022 -7.0774 -7.0774 3.0014 3.0014 3.3563 3.3563 7.3357 7.3357 k = 0.0000 0.3246 0.1766 ( 2278 PWs) bands (ev): -23.0134 -23.0134 -8.6150 -8.6150 -7.8915 -7.8915 -7.0730 -7.0730 3.0996 3.0996 3.4642 3.4642 7.3966 7.3966 k = 0.0000 0.3333 0.1766 ( 2274 PWs) bands (ev): -23.0037 -23.0037 -8.6581 -8.6581 -7.8812 -7.8812 -7.0687 -7.0687 3.2003 3.2003 3.5746 3.5746 7.4545 7.4545 k = 0.0000 0.3421 0.1766 ( 2278 PWs) bands (ev): -22.9944 -22.9944 -8.6997 -8.6997 -7.8711 -7.8711 -7.0645 -7.0645 3.3037 3.3037 3.6873 3.6873 7.5073 7.5073 k = 0.0000 0.3509 0.1766 ( 2286 PWs) bands (ev): -22.9853 -22.9853 -8.7396 -8.7396 -7.8614 -7.8614 -7.0605 -7.0605 3.4097 3.4097 3.8025 3.8025 7.5520 7.5520 k = 0.0000 0.3596 0.1766 ( 2284 PWs) bands (ev): -22.9766 -22.9766 -8.7778 -8.7778 -7.8520 -7.8520 -7.0567 -7.0567 3.5182 3.5182 3.9200 3.9200 7.5836 7.5836 k = 0.0000 0.3684 0.1766 ( 2284 PWs) bands (ev): -22.9682 -22.9682 -8.8142 -8.8142 -7.8430 -7.8430 -7.0530 -7.0530 3.6292 3.6292 4.0398 4.0398 7.5956 7.5956 k = 0.0000 0.3772 0.1766 ( 2286 PWs) bands (ev): -22.9602 -22.9602 -8.8486 -8.8486 -7.8345 -7.8345 -7.0495 -7.0495 3.7428 3.7428 4.1620 4.1620 7.5802 7.5802 k = 0.0000 0.3860 0.1766 ( 2278 PWs) bands (ev): -22.9527 -22.9527 -8.8810 -8.8810 -7.8264 -7.8264 -7.0461 -7.0461 3.8588 3.8588 4.2865 4.2865 7.5317 7.5317 k = 0.0000 0.3947 0.1766 ( 2282 PWs) bands (ev): -22.9455 -22.9455 -8.9114 -8.9114 -7.8188 -7.8188 -7.0430 -7.0430 3.9772 3.9772 4.4132 4.4132 7.4500 7.4500 k = 0.0000 0.4035 0.1766 ( 2282 PWs) bands (ev): -22.9389 -22.9389 -8.9396 -8.9396 -7.8116 -7.8116 -7.0401 -7.0401 4.0978 4.0978 4.5421 4.5421 7.3412 7.3412 k = 0.0000 0.4123 0.1766 ( 2280 PWs) bands (ev): -22.9328 -22.9328 -8.9655 -8.9655 -7.8051 -7.8051 -7.0374 -7.0374 4.2207 4.2207 4.6733 4.6733 7.2133 7.2133 k = 0.0000 0.4211 0.1766 ( 2284 PWs) bands (ev): -22.9271 -22.9271 -8.9892 -8.9892 -7.7991 -7.7991 -7.0350 -7.0350 4.3457 4.3457 4.8065 4.8065 7.0733 7.0733 k = 0.0000 0.4298 0.1766 ( 2286 PWs) bands (ev): -22.9221 -22.9221 -9.0105 -9.0105 -7.7936 -7.7936 -7.0328 -7.0328 4.4725 4.4725 4.9419 4.9419 6.9266 6.9266 k = 0.0000 0.4386 0.1766 ( 2294 PWs) bands (ev): -22.9175 -22.9175 -9.0294 -9.0294 -7.7888 -7.7888 -7.0308 -7.0308 4.6007 4.6007 5.0792 5.0792 6.7766 6.7766 k = 0.0000 0.4474 0.1766 ( 2286 PWs) bands (ev): -22.9136 -22.9136 -9.0459 -9.0459 -7.7845 -7.7845 -7.0291 -7.0291 4.7300 4.7300 5.2183 5.2183 6.6260 6.6260 k = 0.0000 0.4561 0.1766 ( 2282 PWs) bands (ev): -22.9102 -22.9102 -9.0600 -9.0600 -7.7809 -7.7809 -7.0276 -7.0276 4.8594 4.8594 5.3590 5.3590 6.4770 6.4770 k = 0.0000 0.4649 0.1766 ( 2288 PWs) bands (ev): -22.9074 -22.9074 -9.0715 -9.0715 -7.7780 -7.7780 -7.0264 -7.0264 4.9874 4.9874 5.5008 5.5008 6.3321 6.3322 k = 0.0000 0.4737 0.1766 ( 2288 PWs) bands (ev): -22.9052 -22.9052 -9.0805 -9.0805 -7.7756 -7.7756 -7.0254 -7.0254 5.1109 5.1109 5.6429 5.6429 6.1950 6.1951 k = 0.0000 0.4825 0.1766 ( 2292 PWs) bands (ev): -22.9037 -22.9037 -9.0869 -9.0869 -7.7740 -7.7740 -7.0248 -7.0248 5.2233 5.2233 5.7829 5.7829 6.0726 6.0726 k = 0.0000 0.4912 0.1766 ( 2292 PWs) bands (ev): -22.9027 -22.9027 -9.0908 -9.0908 -7.7730 -7.7730 -7.0243 -7.0243 5.3103 5.3103 5.9118 5.9118 5.9795 5.9795 k = 0.0000 0.5000 0.1766 ( 2284 PWs) bands (ev): -22.9024 -22.9024 -9.0921 -9.0921 -7.7726 -7.7726 -7.0242 -7.0242 5.3453 5.3453 5.9424 5.9424 5.9816 5.9816 k = 0.0000 0.5000 0.1766 ( 2284 PWs) bands (ev): -22.9024 -22.9024 -9.0921 -9.0921 -7.7726 -7.7726 -7.0242 -7.0242 5.3453 5.3453 5.9424 5.9424 5.9816 5.9816 k = 0.0088 0.5000 0.1766 ( 2288 PWs) bands (ev): -22.9022 -22.9022 -9.0917 -9.0917 -7.7724 -7.7724 -7.0255 -7.0255 5.3468 5.3468 5.9438 5.9438 5.9823 5.9823 k = 0.0175 0.5000 0.1766 ( 2292 PWs) bands (ev): -22.9014 -22.9014 -9.0907 -9.0907 -7.7718 -7.7718 -7.0295 -7.0295 5.3512 5.3512 5.9478 5.9478 5.9847 5.9847 k = 0.0263 0.5000 0.1766 ( 2292 PWs) bands (ev): -22.9002 -22.9002 -9.0891 -9.0891 -7.7706 -7.7706 -7.0362 -7.0362 5.3586 5.3586 5.9546 5.9546 5.9887 5.9887 k = 0.0351 0.5000 0.1766 ( 2288 PWs) bands (ev): -22.8985 -22.8985 -9.0868 -9.0868 -7.7691 -7.7691 -7.0454 -7.0454 5.3689 5.3689 5.9640 5.9640 5.9942 5.9942 k = 0.0439 0.5000 0.1766 ( 2292 PWs) bands (ev): -22.8963 -22.8963 -9.0838 -9.0838 -7.7671 -7.7671 -7.0572 -7.0572 5.3822 5.3822 5.9762 5.9762 6.0013 6.0013 k = 0.0526 0.5000 0.1766 ( 2292 PWs) bands (ev): -22.8937 -22.8937 -9.0802 -9.0802 -7.7647 -7.7647 -7.0716 -7.0716 5.3984 5.3984 5.9910 5.9910 6.0100 6.0100 k = 0.0614 0.5000 0.1766 ( 2288 PWs) bands (ev): -22.8905 -22.8905 -9.0759 -9.0759 -7.7619 -7.7619 -7.0884 -7.0884 5.4176 5.4176 6.0085 6.0085 6.0202 6.0202 k = 0.0702 0.5000 0.1766 ( 2284 PWs) bands (ev): -22.8870 -22.8870 -9.0710 -9.0710 -7.7586 -7.7586 -7.1076 -7.1076 5.4397 5.4397 6.0283 6.0283 6.0324 6.0324 k = 0.0789 0.5000 0.1766 ( 2284 PWs) bands (ev): -22.8829 -22.8829 -9.0655 -9.0655 -7.7550 -7.7550 -7.1292 -7.1292 5.4648 5.4648 6.0446 6.0446 6.0522 6.0522 k = 0.0877 0.5000 0.1766 ( 2284 PWs) bands (ev): -22.8784 -22.8784 -9.0594 -9.0594 -7.7509 -7.7509 -7.1530 -7.1530 5.4928 5.4928 6.0594 6.0594 6.0777 6.0777 k = 0.0965 0.5000 0.1766 ( 2280 PWs) bands (ev): -22.8735 -22.8735 -9.0528 -9.0528 -7.7465 -7.7465 -7.1790 -7.1790 5.5237 5.5237 6.0756 6.0756 6.1060 6.1060 k = 0.1053 0.5000 0.1766 ( 2280 PWs) bands (ev): -22.8682 -22.8682 -9.0455 -9.0455 -7.7417 -7.7417 -7.2070 -7.2070 5.5576 5.5576 6.0931 6.0931 6.1370 6.1370 k = 0.1140 0.5000 0.1766 ( 2284 PWs) bands (ev): -22.8625 -22.8625 -9.0377 -9.0377 -7.7366 -7.7366 -7.2370 -7.2370 5.5945 5.5945 6.1120 6.1120 6.1707 6.1707 k = 0.1228 0.5000 0.1766 ( 2276 PWs) bands (ev): -22.8564 -22.8564 -9.0294 -9.0294 -7.7311 -7.7311 -7.2688 -7.2688 5.6343 5.6343 6.1322 6.1322 6.2071 6.2072 k = 0.1316 0.5000 0.1766 ( 2276 PWs) bands (ev): -22.8499 -22.8499 -9.0206 -9.0206 -7.7253 -7.7253 -7.3023 -7.3023 5.6770 5.6770 6.1538 6.1538 6.2462 6.2462 k = 0.1404 0.5000 0.1766 ( 2280 PWs) bands (ev): -22.8431 -22.8431 -9.0113 -9.0113 -7.7191 -7.7191 -7.3374 -7.3374 5.7227 5.7227 6.1766 6.1766 6.2880 6.2880 k = 0.1491 0.5000 0.1766 ( 2276 PWs) bands (ev): -22.8360 -22.8360 -9.0015 -9.0015 -7.7128 -7.7128 -7.3740 -7.3740 5.7713 5.7713 6.2006 6.2006 6.3324 6.3324 k = 0.1579 0.5000 0.1766 ( 2276 PWs) bands (ev): -22.8285 -22.8285 -8.9913 -8.9913 -7.7061 -7.7061 -7.4119 -7.4119 5.8229 5.8229 6.2257 6.2257 6.3795 6.3795 k = 0.1667 0.5000 0.1766 ( 2272 PWs) bands (ev): -22.8208 -22.8208 -8.9807 -8.9807 -7.6992 -7.6992 -7.4510 -7.4510 5.8774 5.8774 6.2520 6.2520 6.4292 6.4293 k = 0.1754 0.5000 0.1766 ( 2272 PWs) bands (ev): -22.8127 -22.8127 -8.9698 -8.9698 -7.6921 -7.6921 -7.4911 -7.4911 5.9348 5.9348 6.2793 6.2793 6.4817 6.4817 k = 0.1842 0.5000 0.1766 ( 2268 PWs) bands (ev): -22.8045 -22.8045 -8.9585 -8.9585 -7.6849 -7.6849 -7.5321 -7.5321 5.9952 5.9952 6.3076 6.3076 6.5367 6.5367 k = 0.1930 0.5000 0.1766 ( 2264 PWs) bands (ev): -22.7960 -22.7960 -8.9468 -8.9468 -7.6778 -7.6778 -7.5736 -7.5736 6.0585 6.0585 6.3368 6.3368 6.5944 6.5944 k = 0.2018 0.5000 0.1766 ( 2264 PWs) bands (ev): -22.7873 -22.7873 -8.9349 -8.9349 -7.6715 -7.6715 -7.6148 -7.6148 6.1248 6.1248 6.3668 6.3668 6.6547 6.6547 k = 0.2105 0.5000 0.1766 ( 2264 PWs) bands (ev): -22.7784 -22.7784 -8.9228 -8.9228 -7.6736 -7.6736 -7.6480 -7.6480 6.1940 6.1940 6.3977 6.3977 6.7177 6.7177 k = 0.2193 0.5000 0.1766 ( 2256 PWs) bands (ev): -22.7693 -22.7693 -8.9104 -8.9104 -7.7077 -7.7077 -7.6494 -7.6494 6.2661 6.2661 6.4292 6.4292 6.7832 6.7833 k = 0.2281 0.5000 0.1766 ( 2256 PWs) bands (ev): -22.7602 -22.7602 -8.8979 -8.8979 -7.7502 -7.7502 -7.6426 -7.6426 6.3411 6.3411 6.4614 6.4614 6.8514 6.8514 k = 0.2368 0.5000 0.1766 ( 2248 PWs) bands (ev): -22.7509 -22.7509 -8.8852 -8.8852 -7.7937 -7.7937 -7.6348 -7.6348 6.4191 6.4191 6.4941 6.4941 6.9222 6.9222 k = 0.2456 0.5000 0.1766 ( 2248 PWs) bands (ev): -22.7416 -22.7416 -8.8725 -8.8725 -7.8374 -7.8374 -7.6267 -7.6267 6.5000 6.5000 6.5273 6.5273 6.9955 6.9955 k = 0.2544 0.5000 0.1766 ( 2248 PWs) bands (ev): -22.7323 -22.7323 -8.8596 -8.8596 -7.8811 -7.8811 -7.6185 -7.6185 6.5608 6.5608 6.5838 6.5838 7.0715 7.0715 k = 0.2632 0.5000 0.1766 ( 2248 PWs) bands (ev): -22.7229 -22.7229 -8.8468 -8.8468 -7.9246 -7.9246 -7.6103 -7.6103 6.5945 6.5945 6.6705 6.6705 7.1499 7.1499 k = 0.2719 0.5000 0.1766 ( 2260 PWs) bands (ev): -22.7135 -22.7135 -8.8339 -8.8339 -7.9678 -7.9678 -7.6020 -7.6020 6.6285 6.6285 6.7601 6.7601 7.2309 7.2309 k = 0.2807 0.5000 0.1766 ( 2260 PWs) bands (ev): -22.7042 -22.7042 -8.8212 -8.8212 -8.0104 -8.0104 -7.5938 -7.5938 6.6625 6.6625 6.8527 6.8527 7.3145 7.3145 k = 0.2895 0.5000 0.1766 ( 2264 PWs) bands (ev): -22.6950 -22.6950 -8.8085 -8.8085 -8.0524 -8.0524 -7.5856 -7.5856 6.6964 6.6964 6.9481 6.9481 7.4005 7.4005 k = 0.2982 0.5000 0.1766 ( 2264 PWs) bands (ev): -22.6858 -22.6858 -8.7959 -8.7959 -8.0937 -8.0937 -7.5775 -7.5775 6.7303 6.7303 7.0464 7.0464 7.4890 7.4891 k = 0.3070 0.5000 0.1766 ( 2260 PWs) bands (ev): -22.6768 -22.6768 -8.7835 -8.7835 -8.1341 -8.1341 -7.5695 -7.5695 6.7638 6.7638 7.1476 7.1476 7.5800 7.5800 k = 0.3158 0.5000 0.1766 ( 2260 PWs) bands (ev): -22.6679 -22.6679 -8.7714 -8.7714 -8.1735 -8.1735 -7.5617 -7.5617 6.7970 6.7970 7.2517 7.2517 7.6734 7.6734 k = 0.3246 0.5000 0.1766 ( 2268 PWs) bands (ev): -22.6593 -22.6593 -8.7595 -8.7595 -8.2118 -8.2118 -7.5540 -7.5540 6.8297 6.8297 7.3586 7.3586 7.7692 7.7692 k = 0.3333 0.5000 0.1766 ( 2272 PWs) bands (ev): -22.6508 -22.6508 -8.7479 -8.7479 -8.2489 -8.2489 -7.5466 -7.5466 6.8618 6.8618 7.4684 7.4684 7.8674 7.8674 k = 0.3421 0.5000 0.1766 ( 2276 PWs) bands (ev): -22.6426 -22.6426 -8.7366 -8.7366 -8.2848 -8.2848 -7.5393 -7.5393 6.8931 6.8931 7.5810 7.5810 7.9679 7.9679 k = 0.3509 0.5000 0.1766 ( 2284 PWs) bands (ev): -22.6347 -22.6347 -8.7257 -8.7257 -8.3193 -8.3193 -7.5323 -7.5323 6.9237 6.9237 7.6964 7.6964 8.0706 8.0706 k = 0.3596 0.5000 0.1766 ( 2284 PWs) bands (ev): -22.6270 -22.6270 -8.7152 -8.7152 -8.3522 -8.3522 -7.5256 -7.5256 6.9532 6.9532 7.8146 7.8146 8.1755 8.1755 k = 0.3684 0.5000 0.1766 ( 2292 PWs) bands (ev): -22.6197 -22.6197 -8.7052 -8.7052 -8.3836 -8.3836 -7.5191 -7.5191 6.9817 6.9817 7.9355 7.9355 8.2826 8.2826 k = 0.3772 0.5000 0.1766 ( 2292 PWs) bands (ev): -22.6127 -22.6127 -8.6956 -8.6956 -8.4134 -8.4134 -7.5130 -7.5130 7.0090 7.0090 8.0591 8.0591 8.3917 8.3917 k = 0.3860 0.5000 0.1766 ( 2284 PWs) bands (ev): -22.6061 -22.6061 -8.6866 -8.6866 -8.4414 -8.4414 -7.5072 -7.5072 7.0351 7.0351 8.1854 8.1854 8.5027 8.5027 k = 0.3947 0.5000 0.1766 ( 2284 PWs) bands (ev): -22.5999 -22.5999 -8.6781 -8.6781 -8.4676 -8.4676 -7.5017 -7.5017 7.0597 7.0597 8.3143 8.3143 8.6154 8.6154 k = 0.4035 0.5000 0.1766 ( 2280 PWs) bands (ev): -22.5941 -22.5941 -8.6702 -8.6702 -8.4919 -8.4919 -7.4966 -7.4966 7.0827 7.0827 8.4457 8.4457 8.7298 8.7298 k = 0.4123 0.5000 0.1766 ( 2284 PWs) bands (ev): -22.5888 -22.5888 -8.6629 -8.6629 -8.5143 -8.5143 -7.4919 -7.4919 7.1042 7.1042 8.5795 8.5795 8.8455 8.8455 k = 0.4211 0.5000 0.1766 ( 2284 PWs) bands (ev): -22.5838 -22.5838 -8.6564 -8.6564 -8.5347 -8.5347 -7.4876 -7.4876 7.1239 7.1239 8.7154 8.7154 8.9622 8.9623 k = 0.4298 0.5000 0.1766 ( 2284 PWs) bands (ev): -22.5794 -22.5794 -8.6505 -8.6505 -8.5529 -8.5529 -7.4837 -7.4837 7.1419 7.1419 8.8534 8.8534 9.0795 9.0795 k = 0.4386 0.5000 0.1766 ( 2276 PWs) bands (ev): -22.5754 -22.5754 -8.6455 -8.6455 -8.5690 -8.5690 -7.4802 -7.4802 7.1579 7.1579 8.9928 8.9928 9.1967 9.1967 k = 0.4474 0.5000 0.1766 ( 2284 PWs) bands (ev): -22.5720 -22.5720 -8.6413 -8.6413 -8.5827 -8.5827 -7.4772 -7.4772 7.1719 7.1719 9.1333 9.1333 9.3127 9.3127 k = 0.4561 0.5000 0.1766 ( 2284 PWs) bands (ev): -22.5690 -22.5690 -8.6382 -8.6382 -8.5940 -8.5940 -7.4746 -7.4746 7.1840 7.1840 9.2738 9.2738 9.4261 9.4261 k = 0.4649 0.5000 0.1766 ( 2288 PWs) bands (ev): -22.5666 -22.5666 -8.6362 -8.6362 -8.6026 -8.6026 -7.4725 -7.4725 7.1939 7.1939 9.4124 9.4124 9.5345 9.5345 k = 0.4737 0.5000 0.1766 ( 2280 PWs) bands (ev): -22.5647 -22.5647 -8.6356 -8.6356 -8.6084 -8.6084 -7.4708 -7.4708 7.2016 7.2016 9.5458 9.5458 9.6336 9.6336 k = 0.4825 0.5000 0.1766 ( 2280 PWs) bands (ev): -22.5633 -22.5633 -8.6361 -8.6361 -8.6117 -8.6117 -7.4696 -7.4696 7.2072 7.2072 9.6666 9.6666 9.7171 9.7171 k = 0.4912 0.5000 0.1766 ( 2276 PWs) bands (ev): -22.5625 -22.5625 -8.6368 -8.6368 -8.6131 -8.6131 -7.4689 -7.4689 7.2106 7.2106 9.7591 9.7591 9.7749 9.7749 k = 0.5000 0.5000 0.1766 ( 2272 PWs) bands (ev): -22.5622 -22.5622 -8.6372 -8.6372 -8.6135 -8.6135 -7.4687 -7.4687 7.2117 7.2117 9.7959 9.7959 9.7959 9.7959 k = 0.5000 0.5000 0.1766 ( 2272 PWs) bands (ev): -22.5622 -22.5622 -8.6372 -8.6372 -8.6135 -8.6135 -7.4687 -7.4687 7.2117 7.2117 9.7959 9.7959 9.7959 9.7959 k = 0.4938 0.4937 0.1766 ( 2280 PWs) bands (ev): -22.5625 -22.5625 -8.6368 -8.6368 -8.6132 -8.6132 -7.4689 -7.4689 7.2105 7.2105 9.7377 9.7377 9.7974 9.7974 k = 0.4875 0.4875 0.1766 ( 2284 PWs) bands (ev): -22.5634 -22.5634 -8.6357 -8.6357 -8.6120 -8.6120 -7.4696 -7.4696 7.2070 7.2070 9.5982 9.5982 9.8019 9.8019 k = 0.4813 0.4812 0.1766 ( 2276 PWs) bands (ev): -22.5647 -22.5647 -8.6338 -8.6338 -8.6101 -8.6101 -7.4709 -7.4709 7.2010 7.2010 9.4230 9.4230 9.8094 9.8094 k = 0.4750 0.4750 0.1766 ( 2282 PWs) bands (ev): -22.5667 -22.5667 -8.6313 -8.6313 -8.6073 -8.6073 -7.4725 -7.4725 7.1922 7.1922 9.2331 9.2331 9.8200 9.8200 k = 0.4688 0.4687 0.1766 ( 2274 PWs) bands (ev): -22.5692 -22.5692 -8.6281 -8.6281 -8.6037 -8.6037 -7.4747 -7.4747 7.1801 7.1801 9.0373 9.0373 9.8335 9.8335 k = 0.4625 0.4625 0.1766 ( 2274 PWs) bands (ev): -22.5722 -22.5722 -8.6243 -8.6243 -8.5991 -8.5991 -7.4774 -7.4774 7.1643 7.1643 8.8392 8.8392 9.8500 9.8500 k = 0.4562 0.4562 0.1766 ( 2274 PWs) bands (ev): -22.5758 -22.5758 -8.6200 -8.6200 -8.5936 -8.5936 -7.4805 -7.4805 7.1441 7.1441 8.6408 8.6408 9.8695 9.8695 k = 0.4500 0.4500 0.1766 ( 2274 PWs) bands (ev): -22.5799 -22.5799 -8.6151 -8.6151 -8.5870 -8.5870 -7.4841 -7.4841 7.1189 7.1189 8.4432 8.4432 9.8880 9.8889 k = 0.4437 0.4437 0.1766 ( 2274 PWs) bands (ev): -22.5845 -22.5845 -8.6098 -8.6098 -8.5794 -8.5794 -7.4882 -7.4882 7.0879 7.0879 8.2470 8.2470 9.7795 9.7795 k = 0.4375 0.4375 0.1766 ( 2278 PWs) bands (ev): -22.5896 -22.5896 -8.6040 -8.6040 -8.5708 -8.5708 -7.4928 -7.4928 7.0504 7.0504 8.0526 8.0526 9.6793 9.6793 k = 0.4313 0.4312 0.1766 ( 2278 PWs) bands (ev): -22.5953 -22.5953 -8.5977 -8.5977 -8.5611 -8.5611 -7.4978 -7.4978 7.0057 7.0057 7.8603 7.8603 9.5883 9.5883 k = 0.4250 0.4250 0.1766 ( 2278 PWs) bands (ev): -22.6015 -22.6015 -8.5909 -8.5909 -8.5504 -8.5504 -7.5033 -7.5033 6.9533 6.9533 7.6703 7.6703 9.5071 9.5071 k = 0.4188 0.4187 0.1766 ( 2274 PWs) bands (ev): -22.6081 -22.6081 -8.5835 -8.5835 -8.5387 -8.5387 -7.5092 -7.5092 6.8929 6.8929 7.4827 7.4827 9.4359 9.4359 k = 0.4125 0.4125 0.1766 ( 2274 PWs) bands (ev): -22.6153 -22.6153 -8.5756 -8.5756 -8.5260 -8.5260 -7.5156 -7.5156 6.8243 6.8243 7.2976 7.2976 9.3750 9.3750 k = 0.4062 0.4062 0.1766 ( 2278 PWs) bands (ev): -22.6229 -22.6229 -8.5671 -8.5671 -8.5124 -8.5124 -7.5225 -7.5225 6.7475 6.7475 7.1152 7.1152 9.3241 9.3241 k = 0.4000 0.4000 0.1766 ( 2278 PWs) bands (ev): -22.6310 -22.6310 -8.5580 -8.5580 -8.4979 -8.4979 -7.5297 -7.5297 6.6629 6.6629 6.9353 6.9353 9.2827 9.2827 k = 0.3937 0.3937 0.1766 ( 2278 PWs) bands (ev): -22.6396 -22.6396 -8.5483 -8.5483 -8.4824 -8.4824 -7.5374 -7.5374 6.5711 6.5711 6.7582 6.7582 9.2501 9.2501 k = 0.3875 0.3875 0.1766 ( 2286 PWs) bands (ev): -22.6486 -22.6486 -8.5379 -8.5379 -8.4661 -8.4661 -7.5456 -7.5456 6.4725 6.4725 6.5838 6.5838 9.2252 9.2252 k = 0.3812 0.3812 0.1766 ( 2280 PWs) bands (ev): -22.6580 -22.6580 -8.5268 -8.5268 -8.4490 -8.4490 -7.5541 -7.5541 6.3681 6.3681 6.4121 6.4121 9.2071 9.2071 k = 0.3750 0.3750 0.1766 ( 2278 PWs) bands (ev): -22.6679 -22.6679 -8.5151 -8.5151 -8.4310 -8.4310 -7.5631 -7.5631 6.2432 6.2432 6.2586 6.2586 9.1946 9.1946 k = 0.3688 0.3687 0.1766 ( 2278 PWs) bands (ev): -22.6781 -22.6781 -8.5026 -8.5026 -8.4123 -8.4123 -7.5724 -7.5724 6.0772 6.0772 6.1447 6.1447 9.1863 9.1863 k = 0.3625 0.3625 0.1766 ( 2286 PWs) bands (ev): -22.6887 -22.6887 -8.4894 -8.4894 -8.3928 -8.3928 -7.5822 -7.5822 5.9139 5.9139 6.0272 6.0272 9.1811 9.1811 k = 0.3563 0.3562 0.1766 ( 2278 PWs) bands (ev): -22.6997 -22.6997 -8.4754 -8.4754 -8.3725 -8.3725 -7.5923 -7.5923 5.7535 5.7535 5.9068 5.9068 9.1777 9.1778 k = 0.3500 0.3500 0.1766 ( 2274 PWs) bands (ev): -22.7110 -22.7110 -8.4607 -8.4607 -8.3516 -8.3516 -7.6028 -7.6028 5.5958 5.5958 5.7841 5.7841 9.1750 9.1751 k = 0.3438 0.3437 0.1766 ( 2274 PWs) bands (ev): -22.7227 -22.7227 -8.4452 -8.4452 -8.3299 -8.3299 -7.6137 -7.6137 5.4410 5.4410 5.6597 5.6597 9.1719 9.1719 k = 0.3375 0.3375 0.1766 ( 2274 PWs) bands (ev): -22.7347 -22.7347 -8.4290 -8.4290 -8.3076 -8.3076 -7.6248 -7.6248 5.2891 5.2891 5.5340 5.5340 9.1671 9.1671 k = 0.3312 0.3312 0.1766 ( 2274 PWs) bands (ev): -22.7470 -22.7470 -8.4119 -8.4119 -8.2847 -8.2847 -7.6364 -7.6364 5.1399 5.1399 5.4076 5.4076 9.1598 9.1598 k = 0.3250 0.3250 0.1766 ( 2270 PWs) bands (ev): -22.7596 -22.7596 -8.3941 -8.3941 -8.2612 -8.2612 -7.6482 -7.6482 4.9937 4.9937 5.2808 5.2808 9.1074 9.1074 k = 0.3187 0.3187 0.1766 ( 2266 PWs) bands (ev): -22.7724 -22.7724 -8.3755 -8.3755 -8.2372 -8.2372 -7.6603 -7.6603 4.8502 4.8502 5.1539 5.1539 8.9867 8.9867 k = 0.3125 0.3125 0.1766 ( 2264 PWs) bands (ev): -22.7854 -22.7854 -8.3561 -8.3561 -8.2126 -8.2126 -7.6727 -7.6727 4.7096 4.7096 5.0272 5.0272 8.8682 8.8682 k = 0.3063 0.3062 0.1766 ( 2260 PWs) bands (ev): -22.7987 -22.7987 -8.3360 -8.3360 -8.1876 -8.1876 -7.6853 -7.6853 4.5719 4.5719 4.9010 4.9010 8.7520 8.7520 k = 0.3000 0.3000 0.1766 ( 2264 PWs) bands (ev): -22.8122 -22.8122 -8.3150 -8.3150 -8.1620 -8.1620 -7.6983 -7.6983 4.4369 4.4369 4.7755 4.7755 8.6382 8.6382 k = 0.2938 0.2937 0.1766 ( 2260 PWs) bands (ev): -22.8259 -22.8259 -8.2933 -8.2933 -8.1361 -8.1361 -7.7114 -7.7114 4.3049 4.3049 4.6509 4.6509 8.5269 8.5269 k = 0.2875 0.2875 0.1766 ( 2258 PWs) bands (ev): -22.8397 -22.8397 -8.2708 -8.2708 -8.1098 -8.1098 -7.7247 -7.7247 4.1756 4.1756 4.5274 4.5274 8.4180 8.4180 k = 0.2812 0.2812 0.1766 ( 2258 PWs) bands (ev): -22.8536 -22.8536 -8.2476 -8.2476 -8.0832 -8.0832 -7.7382 -7.7382 4.0492 4.0492 4.4051 4.4051 8.3117 8.3117 k = 0.2750 0.2750 0.1766 ( 2266 PWs) bands (ev): -22.8677 -22.8677 -8.2237 -8.2237 -8.0562 -8.0562 -7.7519 -7.7519 3.9256 3.9256 4.2841 4.2841 8.2079 8.2079 k = 0.2687 0.2687 0.1766 ( 2276 PWs) bands (ev): -22.8819 -22.8819 -8.1990 -8.1990 -8.0290 -8.0290 -7.7657 -7.7657 3.8049 3.8049 4.1646 4.1646 8.1066 8.1066 k = 0.2625 0.2625 0.1766 ( 2266 PWs) bands (ev): -22.8961 -22.8961 -8.1737 -8.1737 -8.0016 -8.0016 -7.7796 -7.7796 3.6870 3.6870 4.0467 4.0467 8.0079 8.0079 k = 0.2562 0.2562 0.1766 ( 2270 PWs) bands (ev): -22.9104 -22.9104 -8.1477 -8.1477 -7.9741 -7.9741 -7.7936 -7.7936 3.5719 3.5719 3.9304 3.9304 7.9117 7.9117 k = 0.2500 0.2500 0.1766 ( 2270 PWs) bands (ev): -22.9247 -22.9247 -8.1211 -8.1211 -7.9465 -7.9465 -7.8075 -7.8075 3.4596 3.4596 3.8159 3.8159 7.8181 7.8181 k = 0.2437 0.2437 0.1766 ( 2266 PWs) bands (ev): -22.9390 -22.9390 -8.0939 -8.0939 -7.9190 -7.9190 -7.8213 -7.8213 3.3501 3.3501 3.7032 3.7032 7.7270 7.7270 k = 0.2375 0.2375 0.1766 ( 2262 PWs) bands (ev): -22.9533 -22.9533 -8.0662 -8.0662 -7.8920 -7.8920 -7.8345 -7.8345 3.2435 3.2435 3.5925 3.5925 7.6385 7.6385 k = 0.2313 0.2312 0.1766 ( 2266 PWs) bands (ev): -22.9675 -22.9675 -8.0380 -8.0380 -7.8690 -7.8690 -7.8436 -7.8436 3.1396 3.1396 3.4837 3.4837 7.5525 7.5525 k = 0.2250 0.2250 0.1766 ( 2270 PWs) bands (ev): -22.9817 -22.9817 -8.0094 -8.0094 -7.8690 -7.8690 -7.8297 -7.8297 3.0386 3.0386 3.3769 3.3769 7.4690 7.4690 k = 0.2188 0.2187 0.1766 ( 2270 PWs) bands (ev): -22.9958 -22.9958 -7.9806 -7.9806 -7.8808 -7.8808 -7.8038 -7.8038 2.9404 2.9404 3.2722 3.2722 7.3880 7.3880 k = 0.2125 0.2125 0.1766 ( 2266 PWs) bands (ev): -23.0098 -23.0098 -7.9522 -7.9522 -7.8931 -7.8931 -7.7766 -7.7766 2.8450 2.8450 3.1697 3.1697 7.3095 7.3095 k = 0.2062 0.2062 0.1766 ( 2258 PWs) bands (ev): -23.0237 -23.0237 -7.9285 -7.9285 -7.9006 -7.9006 -7.7492 -7.7492 2.7524 2.7524 3.0694 3.0694 7.2335 7.2335 k = 0.2000 0.2000 0.1766 ( 2262 PWs) bands (ev): -23.0374 -23.0374 -7.9284 -7.9284 -7.8843 -7.8843 -7.7219 -7.7219 2.6626 2.6626 2.9713 2.9713 7.1600 7.1600 k = 0.1938 0.1937 0.1766 ( 2262 PWs) bands (ev): -23.0509 -23.0509 -7.9400 -7.9400 -7.8560 -7.8560 -7.6948 -7.6948 2.5755 2.5755 2.8755 2.8755 7.0889 7.0889 k = 0.1875 0.1875 0.1766 ( 2258 PWs) bands (ev): -23.0642 -23.0642 -7.9530 -7.9530 -7.8260 -7.8260 -7.6680 -7.6680 2.4913 2.4913 2.7820 2.7820 7.0203 7.0203 k = 0.1812 0.1812 0.1766 ( 2262 PWs) bands (ev): -23.0774 -23.0774 -7.9662 -7.9662 -7.7955 -7.7955 -7.6414 -7.6414 2.4099 2.4099 2.6910 2.6910 6.9540 6.9540 k = 0.1750 0.1750 0.1766 ( 2262 PWs) bands (ev): -23.0903 -23.0903 -7.9794 -7.9794 -7.7648 -7.7648 -7.6152 -7.6152 2.3312 2.3312 2.6023 2.6023 6.8902 6.8902 k = 0.1688 0.1687 0.1766 ( 2262 PWs) bands (ev): -23.1029 -23.1029 -7.9925 -7.9925 -7.7340 -7.7340 -7.5895 -7.5895 2.2553 2.2553 2.5162 2.5162 6.8288 6.8288 k = 0.1625 0.1625 0.1766 ( 2260 PWs) bands (ev): -23.1153 -23.1153 -8.0053 -8.0053 -7.7033 -7.7033 -7.5642 -7.5642 2.1822 2.1822 2.4325 2.4325 6.7697 6.7697 k = 0.1562 0.1562 0.1766 ( 2268 PWs) bands (ev): -23.1273 -23.1273 -8.0180 -8.0180 -7.6728 -7.6728 -7.5394 -7.5394 2.1119 2.1119 2.3515 2.3515 6.7130 6.7131 k = 0.1500 0.1500 0.1766 ( 2264 PWs) bands (ev): -23.1391 -23.1391 -8.0303 -8.0303 -7.6426 -7.6426 -7.5151 -7.5151 2.0443 2.0443 2.2730 2.2730 6.6587 6.6587 k = 0.1437 0.1437 0.1766 ( 2256 PWs) bands (ev): -23.1505 -23.1505 -8.0424 -8.0424 -7.6126 -7.6126 -7.4914 -7.4914 1.9796 1.9796 2.1973 2.1973 6.6067 6.6067 k = 0.1375 0.1375 0.1766 ( 2256 PWs) bands (ev): -23.1616 -23.1616 -8.0541 -8.0541 -7.5831 -7.5831 -7.4684 -7.4684 1.9176 1.9176 2.1242 2.1242 6.5570 6.5570 k = 0.1313 0.1313 0.1766 ( 2256 PWs) bands (ev): -23.1723 -23.1723 -8.0654 -8.0654 -7.5541 -7.5541 -7.4460 -7.4460 1.8583 1.8583 2.0539 2.0539 6.5097 6.5097 k = 0.1250 0.1250 0.1766 ( 2254 PWs) bands (ev): -23.1826 -23.1826 -8.0764 -8.0764 -7.5257 -7.5257 -7.4244 -7.4244 1.8019 1.8019 1.9864 1.9864 6.4646 6.4646 k = 0.1187 0.1187 0.1766 ( 2256 PWs) bands (ev): -23.1925 -23.1925 -8.0871 -8.0871 -7.4979 -7.4979 -7.4035 -7.4035 1.7482 1.7482 1.9218 1.9218 6.4218 6.4218 k = 0.1125 0.1125 0.1766 ( 2268 PWs) bands (ev): -23.2020 -23.2020 -8.0973 -8.0973 -7.4710 -7.4710 -7.3834 -7.3834 1.6972 1.6972 1.8600 1.8600 6.3812 6.3812 k = 0.1062 0.1062 0.1766 ( 2266 PWs) bands (ev): -23.2111 -23.2111 -8.1070 -8.1070 -7.4449 -7.4449 -7.3641 -7.3641 1.6491 1.6491 1.8013 1.8013 6.3430 6.3430 k = 0.1000 0.1000 0.1766 ( 2266 PWs) bands (ev): -23.2198 -23.2198 -8.1163 -8.1163 -7.4197 -7.4197 -7.3456 -7.3456 1.6036 1.6036 1.7455 1.7455 6.3069 6.3069 k = 0.0938 0.0937 0.1766 ( 2262 PWs) bands (ev): -23.2279 -23.2279 -8.1251 -8.1251 -7.3957 -7.3957 -7.3280 -7.3280 1.5610 1.5610 1.6928 1.6928 6.2731 6.2731 k = 0.0875 0.0875 0.1766 ( 2262 PWs) bands (ev): -23.2357 -23.2357 -8.1335 -8.1335 -7.3727 -7.3727 -7.3113 -7.3113 1.5211 1.5211 1.6432 1.6432 6.2416 6.2416 k = 0.0813 0.0812 0.1766 ( 2264 PWs) bands (ev): -23.2429 -23.2429 -8.1413 -8.1413 -7.3511 -7.3511 -7.2956 -7.2956 1.4840 1.4840 1.5968 1.5968 6.2122 6.2122 k = 0.0750 0.0750 0.1766 ( 2260 PWs) bands (ev): -23.2496 -23.2496 -8.1486 -8.1486 -7.3307 -7.3307 -7.2807 -7.2807 1.4496 1.4496 1.5536 1.5536 6.1851 6.1851 k = 0.0688 0.0688 0.1766 ( 2270 PWs) bands (ev): -23.2559 -23.2559 -8.1554 -8.1554 -7.3119 -7.3119 -7.2669 -7.2669 1.4179 1.4179 1.5136 1.5136 6.1601 6.1601 k = 0.0625 0.0625 0.1766 ( 2266 PWs) bands (ev): -23.2616 -23.2616 -8.1617 -8.1617 -7.2945 -7.2945 -7.2539 -7.2539 1.3891 1.3891 1.4770 1.4770 6.1374 6.1374 k = 0.0563 0.0562 0.1766 ( 2268 PWs) bands (ev): -23.2668 -23.2668 -8.1674 -8.1674 -7.2787 -7.2787 -7.2419 -7.2419 1.3629 1.3629 1.4436 1.4436 6.1168 6.1168 k = 0.0500 0.0500 0.1766 ( 2264 PWs) bands (ev): -23.2715 -23.2715 -8.1725 -8.1725 -7.2647 -7.2647 -7.2310 -7.2310 1.3396 1.3396 1.4137 1.4137 6.0985 6.0985 k = 0.0437 0.0437 0.1766 ( 2256 PWs) bands (ev): -23.2757 -23.2757 -8.1770 -8.1770 -7.2523 -7.2523 -7.2210 -7.2210 1.3189 1.3189 1.3872 1.3872 6.0823 6.0823 k = 0.0375 0.0375 0.1766 ( 2256 PWs) bands (ev): -23.2793 -23.2793 -8.1810 -8.1810 -7.2417 -7.2417 -7.2121 -7.2121 1.3011 1.3011 1.3642 1.3642 6.0682 6.0682 k = 0.0312 0.0312 0.1766 ( 2256 PWs) bands (ev): -23.2824 -23.2824 -8.1843 -8.1843 -7.2329 -7.2329 -7.2043 -7.2043 1.2860 1.2860 1.3446 1.3446 6.0564 6.0564 k = 0.0250 0.0250 0.1766 ( 2258 PWs) bands (ev): -23.2849 -23.2849 -8.1871 -8.1871 -7.2257 -7.2257 -7.1978 -7.1978 1.2736 1.2736 1.3286 1.3286 6.0467 6.0467 k = 0.0187 0.0187 0.1766 ( 2260 PWs) bands (ev): -23.2868 -23.2868 -8.1892 -8.1892 -7.2203 -7.2203 -7.1926 -7.1926 1.2640 1.2640 1.3161 1.3161 6.0391 6.0391 k = 0.0125 0.0125 0.1766 ( 2264 PWs) bands (ev): -23.2882 -23.2882 -8.1907 -8.1907 -7.2164 -7.2164 -7.1889 -7.1889 1.2571 1.2571 1.3072 1.3072 6.0337 6.0337 k = 0.0063 0.0062 0.1766 ( 2264 PWs) bands (ev): -23.2891 -23.2891 -8.1917 -8.1917 -7.2141 -7.2141 -7.1866 -7.1866 1.2530 1.2530 1.3018 1.3018 6.0305 6.0305 k = 0.0000 0.0000 0.1766 ( 2264 PWs) bands (ev): -23.2894 -23.2894 -8.1920 -8.1920 -7.2133 -7.2133 -7.1858 -7.1858 1.2516 1.2516 1.3000 1.3000 6.0294 6.0294 k = 0.0000 0.5000-0.0000 ( 2252 PWs) bands (ev): -22.9024 -22.9024 -9.0921 -9.0921 -7.7725 -7.7725 -7.0242 -7.0242 5.3930 5.3930 5.4275 5.4275 6.0408 6.0408 k = 0.0000 0.5000 0.0088 ( 2256 PWs) bands (ev): -22.9024 -22.9024 -9.0921 -9.0921 -7.7725 -7.7725 -7.0242 -7.0242 5.3927 5.3927 5.4291 5.4291 6.0403 6.0403 k = 0.0000 0.5000 0.0177 ( 2270 PWs) bands (ev): -22.9024 -22.9024 -9.0921 -9.0921 -7.7725 -7.7725 -7.0242 -7.0242 5.3918 5.3918 5.4341 5.4341 6.0390 6.0390 k = 0.0000 0.5000 0.0265 ( 2270 PWs) bands (ev): -22.9024 -22.9024 -9.0921 -9.0921 -7.7725 -7.7725 -7.0242 -7.0242 5.3904 5.3904 5.4423 5.4423 6.0369 6.0369 k = 0.0000 0.5000 0.0353 ( 2274 PWs) bands (ev): -22.9024 -22.9024 -9.0921 -9.0921 -7.7725 -7.7725 -7.0242 -7.0242 5.3885 5.3885 5.4538 5.4538 6.0341 6.0341 k = 0.0000 0.5000 0.0441 ( 2274 PWs) bands (ev): -22.9024 -22.9024 -9.0921 -9.0921 -7.7725 -7.7725 -7.0242 -7.0242 5.3861 5.3861 5.4686 5.4686 6.0306 6.0306 k = 0.0000 0.5000 0.0530 ( 2280 PWs) bands (ev): -22.9024 -22.9024 -9.0921 -9.0921 -7.7725 -7.7725 -7.0242 -7.0242 5.3833 5.3833 5.4865 5.4865 6.0267 6.0267 k = 0.0000 0.5000 0.0618 ( 2280 PWs) bands (ev): -22.9024 -22.9024 -9.0921 -9.0921 -7.7725 -7.7725 -7.0242 -7.0242 5.3801 5.3801 5.5077 5.5077 6.0223 6.0223 k = 0.0000 0.5000 0.0706 ( 2278 PWs) bands (ev): -22.9024 -22.9024 -9.0921 -9.0921 -7.7726 -7.7726 -7.0242 -7.0242 5.3767 5.3767 5.5320 5.5320 6.0177 6.0177 k = 0.0000 0.5000 0.0794 ( 2286 PWs) bands (ev): -22.9024 -22.9024 -9.0921 -9.0921 -7.7726 -7.7726 -7.0242 -7.0242 5.3730 5.3730 5.5593 5.5593 6.0131 6.0131 k = 0.0000 0.5000 0.0883 ( 2284 PWs) bands (ev): -22.9024 -22.9024 -9.0921 -9.0921 -7.7726 -7.7726 -7.0242 -7.0242 5.3693 5.3693 5.5896 5.5896 6.0084 6.0084 k = 0.0000 0.5000 0.0971 ( 2278 PWs) bands (ev): -22.9024 -22.9024 -9.0921 -9.0921 -7.7726 -7.7726 -7.0242 -7.0242 5.3656 5.3656 5.6228 5.6228 6.0038 6.0039 k = 0.0000 0.5000 0.1059 ( 2284 PWs) bands (ev): -22.9024 -22.9024 -9.0921 -9.0921 -7.7726 -7.7726 -7.0242 -7.0242 5.3619 5.3619 5.6586 5.6586 5.9995 5.9996 k = 0.0000 0.5000 0.1148 ( 2280 PWs) bands (ev): -22.9024 -22.9024 -9.0921 -9.0921 -7.7726 -7.7726 -7.0242 -7.0242 5.3585 5.3585 5.6969 5.6969 5.9956 5.9956 k = 0.0000 0.5000 0.1236 ( 2288 PWs) bands (ev): -22.9024 -22.9024 -9.0921 -9.0921 -7.7726 -7.7726 -7.0242 -7.0242 5.3552 5.3552 5.7374 5.7374 5.9920 5.9920 k = 0.0000 0.5000 0.1324 ( 2292 PWs) bands (ev): -22.9024 -22.9024 -9.0921 -9.0921 -7.7726 -7.7726 -7.0242 -7.0242 5.3524 5.3524 5.7795 5.7795 5.9889 5.9889 k = 0.0000 0.5000 0.1412 ( 2292 PWs) bands (ev): -22.9024 -22.9024 -9.0921 -9.0921 -7.7726 -7.7726 -7.0242 -7.0242 5.3499 5.3499 5.8223 5.8223 5.9863 5.9863 k = 0.0000 0.5000 0.1501 ( 2292 PWs) bands (ev): -22.9024 -22.9024 -9.0921 -9.0921 -7.7726 -7.7726 -7.0242 -7.0242 5.3480 5.3480 5.8643 5.8643 5.9842 5.9842 k = 0.0000 0.5000 0.1589 ( 2292 PWs) bands (ev): -22.9024 -22.9024 -9.0921 -9.0921 -7.7726 -7.7726 -7.0242 -7.0242 5.3465 5.3465 5.9025 5.9025 5.9827 5.9827 k = 0.0000 0.5000 0.1677 ( 2288 PWs) bands (ev): -22.9024 -22.9024 -9.0921 -9.0921 -7.7726 -7.7726 -7.0242 -7.0242 5.3456 5.3456 5.9312 5.9312 5.9818 5.9818 k = 0.0000 0.5000 0.1766 ( 2284 PWs) bands (ev): -22.9024 -22.9024 -9.0921 -9.0921 -7.7726 -7.7726 -7.0242 -7.0242 5.3453 5.3453 5.9424 5.9424 5.9816 5.9816 k = 0.5000 0.5000-0.0000 ( 2296 PWs) bands (ev): -22.5623 -22.5623 -8.6372 -8.6372 -8.6135 -8.6135 -7.4686 -7.4686 7.1782 7.1782 10.1510 10.1510 10.1543 10.1543 k = 0.5000 0.5000 0.0088 ( 2296 PWs) bands (ev): -22.5623 -22.5623 -8.6372 -8.6372 -8.6135 -8.6135 -7.4686 -7.4686 7.1784 7.1784 10.1430 10.1430 10.1461 10.1461 k = 0.5000 0.5000 0.0177 ( 2296 PWs) bands (ev): -22.5623 -22.5623 -8.6372 -8.6372 -8.6135 -8.6135 -7.4686 -7.4686 7.1790 7.1790 10.1230 10.1230 10.1256 10.1256 k = 0.5000 0.5000 0.0265 ( 2288 PWs) bands (ev): -22.5623 -22.5623 -8.6372 -8.6372 -8.6135 -8.6135 -7.4686 -7.4686 7.1799 7.1799 10.0969 10.0969 10.0990 10.0991 k = 0.5000 0.5000 0.0353 ( 2280 PWs) bands (ev): -22.5623 -22.5623 -8.6372 -8.6372 -8.6135 -8.6135 -7.4686 -7.4686 7.1813 7.1813 10.0685 10.0685 10.0703 10.0703 k = 0.5000 0.5000 0.0441 ( 2292 PWs) bands (ev): -22.5623 -22.5623 -8.6372 -8.6372 -8.6135 -8.6135 -7.4686 -7.4686 7.1829 7.1829 10.0396 10.0396 10.0411 10.0411 k = 0.5000 0.5000 0.0530 ( 2300 PWs) bands (ev): -22.5623 -22.5623 -8.6372 -8.6372 -8.6135 -8.6135 -7.4686 -7.4686 7.1849 7.1849 10.0111 10.0111 10.0123 10.0123 k = 0.5000 0.5000 0.0618 ( 2296 PWs) bands (ev): -22.5623 -22.5623 -8.6372 -8.6372 -8.6135 -8.6135 -7.4686 -7.4686 7.1871 7.1871 9.9836 9.9836 9.9846 9.9846 k = 0.5000 0.5000 0.0706 ( 2292 PWs) bands (ev): -22.5623 -22.5623 -8.6372 -8.6372 -8.6135 -8.6135 -7.4686 -7.4686 7.1895 7.1895 9.9574 9.9574 9.9582 9.9582 k = 0.5000 0.5000 0.0794 ( 2292 PWs) bands (ev): -22.5623 -22.5623 -8.6372 -8.6372 -8.6135 -8.6135 -7.4686 -7.4686 7.1920 7.1920 9.9327 9.9327 9.9334 9.9334 k = 0.5000 0.5000 0.0883 ( 2284 PWs) bands (ev): -22.5623 -22.5623 -8.6372 -8.6372 -8.6135 -8.6135 -7.4686 -7.4686 7.1946 7.1946 9.9098 9.9098 9.9104 9.9104 k = 0.5000 0.5000 0.0971 ( 2276 PWs) bands (ev): -22.5623 -22.5623 -8.6372 -8.6372 -8.6135 -8.6135 -7.4686 -7.4686 7.1973 7.1973 9.8887 9.8887 9.8892 9.8892 k = 0.5000 0.5000 0.1059 ( 2276 PWs) bands (ev): -22.5623 -22.5623 -8.6372 -8.6372 -8.6135 -8.6135 -7.4686 -7.4686 7.1998 7.1998 9.8697 9.8697 9.8700 9.8700 k = 0.5000 0.5000 0.1148 ( 2284 PWs) bands (ev): -22.5623 -22.5623 -8.6372 -8.6372 -8.6135 -8.6135 -7.4686 -7.4686 7.2023 7.2023 9.8526 9.8526 9.8529 9.8529 k = 0.5000 0.5000 0.1236 ( 2284 PWs) bands (ev): -22.5623 -22.5623 -8.6372 -8.6372 -8.6135 -8.6135 -7.4686 -7.4686 7.2046 7.2046 9.8378 9.8378 9.8380 9.8380 k = 0.5000 0.5000 0.1324 ( 2272 PWs) bands (ev): -22.5622 -22.5622 -8.6372 -8.6372 -8.6135 -8.6135 -7.4687 -7.4687 7.2066 7.2066 9.8251 9.8251 9.8252 9.8252 k = 0.5000 0.5000 0.1412 ( 2272 PWs) bands (ev): -22.5622 -22.5622 -8.6372 -8.6372 -8.6135 -8.6135 -7.4687 -7.4687 7.2084 7.2084 9.8146 9.8146 9.8147 9.8147 k = 0.5000 0.5000 0.1501 ( 2272 PWs) bands (ev): -22.5622 -22.5622 -8.6372 -8.6372 -8.6135 -8.6135 -7.4687 -7.4687 7.2098 7.2098 9.8065 9.8065 9.8065 9.8065 k = 0.5000 0.5000 0.1589 ( 2272 PWs) bands (ev): -22.5622 -22.5622 -8.6372 -8.6372 -8.6135 -8.6135 -7.4687 -7.4687 7.2108 7.2108 9.8006 9.8006 9.8007 9.8007 k = 0.5000 0.5000 0.1677 ( 2272 PWs) bands (ev): -22.5622 -22.5622 -8.6372 -8.6372 -8.6135 -8.6135 -7.4687 -7.4687 7.2115 7.2115 9.7971 9.7971 9.7971 9.7971 k = 0.5000 0.5000 0.1766 ( 2272 PWs) bands (ev): -22.5622 -22.5622 -8.6372 -8.6372 -8.6135 -8.6135 -7.4687 -7.4687 7.2117 7.2117 9.7959 9.7959 9.7959 9.7959 Writing output data file O2.save init_run : 0.09s CPU 0.25s WALL ( 1 calls) electrons : 32.46s CPU 33.45s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 32.46s CPU 33.45s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.00s CPU 0.00s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.01s WALL ( 457 calls) cegterg : 29.40s CPU 30.09s WALL ( 634 calls) Called by sum_band: Called by *egterg: h_psi : 13.43s CPU 13.74s WALL ( 10067 calls) s_psi : 0.09s CPU 0.11s WALL ( 10067 calls) g_psi : 0.06s CPU 0.05s WALL ( 8976 calls) cdiaghg : 14.38s CPU 14.70s WALL ( 9433 calls) cegterg:over : 0.81s CPU 0.96s WALL ( 8976 calls) cegterg:upda : 0.70s CPU 0.82s WALL ( 8976 calls) cegterg:last : 0.44s CPU 0.41s WALL ( 1762 calls) cdiaghg:chol : 0.84s CPU 0.87s WALL ( 9433 calls) cdiaghg:inve : 0.20s CPU 0.21s WALL ( 9433 calls) cdiaghg:para : 1.09s CPU 1.14s WALL ( 18866 calls) Called by h_psi: h_psi:vloc : 12.89s CPU 13.22s WALL ( 10067 calls) h_psi:vnl : 0.51s CPU 0.49s WALL ( 10067 calls) add_vuspsi : 0.13s CPU 0.13s WALL ( 10067 calls) General routines calbec : 0.36s CPU 0.34s WALL ( 10067 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 12.04s CPU 12.37s WALL ( 290584 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.12s WALL ( 914 calls) Parallel routines fft_scatter : 6.12s CPU 6.40s WALL ( 290607 calls) PWSCF : 37.83s CPU 51.89s WALL This run was terminated on: 21: 2:11 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=