Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 15:43:48 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: ./BN.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 14 7 2 682 263 44 Max 15 8 3 693 282 59 Sum 511 283 85 24617 9875 1769 bravais-lattice index = 14 lattice parameter (alat) = 4.7999 a.u. unit-cell volume = 248.7751 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 16.00 number of Kohn-Sham states= 24 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 325.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 4.799904 celldm(2)= 1.000000 celldm(3)= 2.597638 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 2.597638 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.384965 ) PseudoPot. # 1 for B read from file: /users/gautes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 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 PseudoPot. # 2 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 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 B 3.00 10.81100 B( 1.00) N 5.00 14.00670 N( 1.00) 24 Sym. Ops., with inversion, found (12 have fractional translation) 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 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.2988189 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.2988189 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.2988189 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.2988189 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 -0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.2988189 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.2988189 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.2988189 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.2988189 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.2988189 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.2988189 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(21) = ( -0.5000000 0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.2988189 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.2988189 ) isym = 23 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(23) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(23) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 24 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(24) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(24) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_6h(6/mmm) there are 18 classes and 6 irreducible representations the character table: E -E 2C6 -2C6 2C3 -2C3 C2 3C2' 3C2'' i -i 2S3 -C2 -3C2' -3C2' G_7+ 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 1.73 G_8+ 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 -1.73 G_9+ 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 2.00 -2.00 0.00 G_7- 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 -1.73 G_8- 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 1.73 G_9- 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 -2.00 2.00 0.00 -2S3 2S6 -2S6 s_h 3s_v 3s_d -s_h -3s_v -3s_d G_7+ -1.73 1.00 -1.00 0.00 0.00 0.00 G_8+ 1.73 1.00 -1.00 0.00 0.00 0.00 G_9+ 0.00 -2.00 2.00 0.00 0.00 0.00 G_7- 1.73 -1.00 1.00 0.00 0.00 0.00 G_8- -1.73 -1.00 1.00 0.00 0.00 0.00 G_9- 0.00 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C6 5 6 60 deg rotation - cryst. axis [0,0,1] -2C6 -5 -6 60 deg rotation - cryst. axis [0,0,1] E 2C3 7 8 120 deg rotation - cryst. axis [0,0,1] -2C3 -7 -8 120 deg rotation - cryst. axis [0,0,1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 3C2'-3C2' 4 -4 12 -11 11 -12 180 deg rotation - cart. axis [1,0,0] 3C2''-3C2' 3 -3 9 10 -10 -9 180 deg rotation - cart. axis [0,1,0] i 13 inversion -i -13 inversion E 2S3 17 18 inv. 60 deg rotation - cryst. axis [0,0,1] -2S3 -17 -18 inv. 60 deg rotation - cryst. axis [0,0,1] E 2S6 19 20 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -19 -20 inv. 120 deg rotation - cryst. axis [0,0,1] E s_h -s_h 14 -14 inv. 180 deg rotation - cart. axis [0,0,1] 3s_v-3s_v 16 -16 24 -23 23 -24 inv. 180 deg rotation - cart. axis [1,0,0] 3s_d-3s_d 15 -15 21 22 -22 -21 inv. 180 deg rotation - cart. axis [0,1,0] Cartesian axes number of k points= 475 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021053 k( 2) = ( 0.0069444 0.0040094 -0.0000000), wk = 0.0021053 k( 3) = ( 0.0138889 0.0080188 -0.0000000), wk = 0.0021053 k( 4) = ( 0.0208333 0.0120281 -0.0000000), wk = 0.0021053 k( 5) = ( 0.0277778 0.0160375 -0.0000000), wk = 0.0021053 k( 6) = ( 0.0347222 0.0200469 -0.0000000), wk = 0.0021053 k( 7) = ( 0.0416667 0.0240563 -0.0000000), wk = 0.0021053 k( 8) = ( 0.0486111 0.0280656 -0.0000000), wk = 0.0021053 k( 9) = ( 0.0555556 0.0320750 -0.0000000), wk = 0.0021053 k( 10) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0021053 k( 11) = ( 0.0694444 0.0400938 -0.0000000), wk = 0.0021053 k( 12) = ( 0.0763889 0.0441031 -0.0000000), wk = 0.0021053 k( 13) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0021053 k( 14) = ( 0.0902778 0.0521219 -0.0000000), wk = 0.0021053 k( 15) = ( 0.0972222 0.0561313 -0.0000000), wk = 0.0021053 k( 16) = ( 0.1041667 0.0601407 -0.0000000), wk = 0.0021053 k( 17) = ( 0.1111111 0.0641500 -0.0000000), wk = 0.0021053 k( 18) = ( 0.1180556 0.0681594 -0.0000000), wk = 0.0021053 k( 19) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0021053 k( 20) = ( 0.1319444 0.0761782 -0.0000000), wk = 0.0021053 k( 21) = ( 0.1388889 0.0801875 -0.0000000), wk = 0.0021053 k( 22) = ( 0.1458333 0.0841969 -0.0000000), wk = 0.0021053 k( 23) = ( 0.1527778 0.0882063 -0.0000000), wk = 0.0021053 k( 24) = ( 0.1597222 0.0922157 -0.0000000), wk = 0.0021053 k( 25) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0021053 k( 26) = ( 0.1736111 0.1002344 -0.0000000), wk = 0.0021053 k( 27) = ( 0.1805556 0.1042438 -0.0000000), wk = 0.0021053 k( 28) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0021053 k( 29) = ( 0.1944444 0.1122625 -0.0000000), wk = 0.0021053 k( 30) = ( 0.2013889 0.1162719 -0.0000000), wk = 0.0021053 k( 31) = ( 0.2083333 0.1202813 -0.0000000), wk = 0.0021053 k( 32) = ( 0.2152778 0.1242907 -0.0000000), wk = 0.0021053 k( 33) = ( 0.2222222 0.1283001 -0.0000000), wk = 0.0021053 k( 34) = ( 0.2291667 0.1323094 -0.0000000), wk = 0.0021053 k( 35) = ( 0.2361111 0.1363188 -0.0000000), wk = 0.0021053 k( 36) = ( 0.2430556 0.1403282 -0.0000000), wk = 0.0021053 k( 37) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0021053 k( 38) = ( 0.2569444 0.1483469 -0.0000000), wk = 0.0021053 k( 39) = ( 0.2638889 0.1523563 -0.0000000), wk = 0.0021053 k( 40) = ( 0.2708333 0.1563657 -0.0000000), wk = 0.0021053 k( 41) = ( 0.2777778 0.1603751 -0.0000000), wk = 0.0021053 k( 42) = ( 0.2847222 0.1643845 -0.0000000), wk = 0.0021053 k( 43) = ( 0.2916667 0.1683938 -0.0000000), wk = 0.0021053 k( 44) = ( 0.2986111 0.1724032 -0.0000000), wk = 0.0021053 k( 45) = ( 0.3055556 0.1764126 -0.0000000), wk = 0.0021053 k( 46) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0021053 k( 47) = ( 0.3194444 0.1844313 -0.0000000), wk = 0.0021053 k( 48) = ( 0.3263889 0.1884407 -0.0000000), wk = 0.0021053 k( 49) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0021053 k( 50) = ( 0.3402778 0.1964595 -0.0000000), wk = 0.0021053 k( 51) = ( 0.3472222 0.2004688 -0.0000000), wk = 0.0021053 k( 52) = ( 0.3541667 0.2044782 -0.0000000), wk = 0.0021053 k( 53) = ( 0.3611111 0.2084876 -0.0000000), wk = 0.0021053 k( 54) = ( 0.3680556 0.2124970 -0.0000000), wk = 0.0021053 k( 55) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0021053 k( 56) = ( 0.3819444 0.2205157 -0.0000000), wk = 0.0021053 k( 57) = ( 0.3888889 0.2245251 -0.0000000), wk = 0.0021053 k( 58) = ( 0.3958333 0.2285345 -0.0000000), wk = 0.0021053 k( 59) = ( 0.4027778 0.2325439 -0.0000000), wk = 0.0021053 k( 60) = ( 0.4097222 0.2365532 -0.0000000), wk = 0.0021053 k( 61) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0021053 k( 62) = ( 0.4236111 0.2445720 -0.0000000), wk = 0.0021053 k( 63) = ( 0.4305556 0.2485814 -0.0000000), wk = 0.0021053 k( 64) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0021053 k( 65) = ( 0.4444444 0.2566001 -0.0000000), wk = 0.0021053 k( 66) = ( 0.4513889 0.2606095 -0.0000000), wk = 0.0021053 k( 67) = ( 0.4583333 0.2646189 -0.0000000), wk = 0.0021053 k( 68) = ( 0.4652778 0.2686283 -0.0000000), wk = 0.0021053 k( 69) = ( 0.4722222 0.2726376 -0.0000000), wk = 0.0021053 k( 70) = ( 0.4791667 0.2766470 -0.0000000), wk = 0.0021053 k( 71) = ( 0.4861111 0.2806564 -0.0000000), wk = 0.0021053 k( 72) = ( 0.4930556 0.2846658 -0.0000000), wk = 0.0021053 k( 73) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0021053 k( 74) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0021053 k( 75) = ( 0.4960317 0.2955484 -0.0000000), wk = 0.0021053 k( 76) = ( 0.4920635 0.3024216 -0.0000000), wk = 0.0021053 k( 77) = ( 0.4880952 0.3092948 -0.0000000), wk = 0.0021053 k( 78) = ( 0.4841270 0.3161680 -0.0000000), wk = 0.0021053 k( 79) = ( 0.4801587 0.3230412 -0.0000000), wk = 0.0021053 k( 80) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0021053 k( 81) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0021053 k( 82) = ( 0.4682540 0.3436609 -0.0000000), wk = 0.0021053 k( 83) = ( 0.4642857 0.3505341 -0.0000000), wk = 0.0021053 k( 84) = ( 0.4603175 0.3574073 -0.0000000), wk = 0.0021053 k( 85) = ( 0.4563492 0.3642805 -0.0000000), wk = 0.0021053 k( 86) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0021053 k( 87) = ( 0.4484127 0.3780270 -0.0000000), wk = 0.0021053 k( 88) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0021053 k( 89) = ( 0.4404762 0.3917734 -0.0000000), wk = 0.0021053 k( 90) = ( 0.4365079 0.3986466 -0.0000000), wk = 0.0021053 k( 91) = ( 0.4325397 0.4055198 -0.0000000), wk = 0.0021053 k( 92) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0021053 k( 93) = ( 0.4246032 0.4192663 -0.0000000), wk = 0.0021053 k( 94) = ( 0.4206349 0.4261395 -0.0000000), wk = 0.0021053 k( 95) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0021053 k( 96) = ( 0.4126984 0.4398859 -0.0000000), wk = 0.0021053 k( 97) = ( 0.4087302 0.4467591 -0.0000000), wk = 0.0021053 k( 98) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0021053 k( 99) = ( 0.4007937 0.4605056 -0.0000000), wk = 0.0021053 k( 100) = ( 0.3968254 0.4673788 -0.0000000), wk = 0.0021053 k( 101) = ( 0.3928571 0.4742520 -0.0000000), wk = 0.0021053 k( 102) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0021053 k( 103) = ( 0.3849206 0.4879984 -0.0000000), wk = 0.0021053 k( 104) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0021053 k( 105) = ( 0.3769841 0.5017449 -0.0000000), wk = 0.0021053 k( 106) = ( 0.3730159 0.5086181 -0.0000000), wk = 0.0021053 k( 107) = ( 0.3690476 0.5154913 -0.0000000), wk = 0.0021053 k( 108) = ( 0.3650794 0.5223645 -0.0000000), wk = 0.0021053 k( 109) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0021053 k( 110) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0021053 k( 111) = ( 0.3531746 0.5429842 -0.0000000), wk = 0.0021053 k( 112) = ( 0.3492063 0.5498574 -0.0000000), wk = 0.0021053 k( 113) = ( 0.3452381 0.5567306 -0.0000000), wk = 0.0021053 k( 114) = ( 0.3412698 0.5636038 -0.0000000), wk = 0.0021053 k( 115) = ( 0.3373016 0.5704771 -0.0000000), wk = 0.0021053 k( 116) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0021053 k( 117) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0021053 k( 118) = ( 0.3293173 0.5703942 -0.0000000), wk = 0.0021053 k( 119) = ( 0.3253012 0.5634382 -0.0000000), wk = 0.0021053 k( 120) = ( 0.3212851 0.5564822 -0.0000000), wk = 0.0021053 k( 121) = ( 0.3172691 0.5495262 -0.0000000), wk = 0.0021053 k( 122) = ( 0.3132530 0.5425701 -0.0000000), wk = 0.0021053 k( 123) = ( 0.3092370 0.5356141 -0.0000000), wk = 0.0021053 k( 124) = ( 0.3052209 0.5286581 -0.0000000), wk = 0.0021053 k( 125) = ( 0.3012048 0.5217021 -0.0000000), wk = 0.0021053 k( 126) = ( 0.2971888 0.5147460 -0.0000000), wk = 0.0021053 k( 127) = ( 0.2931727 0.5077900 -0.0000000), wk = 0.0021053 k( 128) = ( 0.2891566 0.5008340 -0.0000000), wk = 0.0021053 k( 129) = ( 0.2851406 0.4938779 -0.0000000), wk = 0.0021053 k( 130) = ( 0.2811245 0.4869219 -0.0000000), wk = 0.0021053 k( 131) = ( 0.2771084 0.4799659 -0.0000000), wk = 0.0021053 k( 132) = ( 0.2730924 0.4730099 -0.0000000), wk = 0.0021053 k( 133) = ( 0.2690763 0.4660538 -0.0000000), wk = 0.0021053 k( 134) = ( 0.2650602 0.4590978 -0.0000000), wk = 0.0021053 k( 135) = ( 0.2610442 0.4521418 -0.0000000), wk = 0.0021053 k( 136) = ( 0.2570281 0.4451857 -0.0000000), wk = 0.0021053 k( 137) = ( 0.2530120 0.4382297 -0.0000000), wk = 0.0021053 k( 138) = ( 0.2489960 0.4312737 -0.0000000), wk = 0.0021053 k( 139) = ( 0.2449799 0.4243177 -0.0000000), wk = 0.0021053 k( 140) = ( 0.2409639 0.4173616 -0.0000000), wk = 0.0021053 k( 141) = ( 0.2369478 0.4104056 -0.0000000), wk = 0.0021053 k( 142) = ( 0.2329317 0.4034496 -0.0000000), wk = 0.0021053 k( 143) = ( 0.2289157 0.3964936 -0.0000000), wk = 0.0021053 k( 144) = ( 0.2248996 0.3895375 -0.0000000), wk = 0.0021053 k( 145) = ( 0.2208835 0.3825815 -0.0000000), wk = 0.0021053 k( 146) = ( 0.2168675 0.3756255 -0.0000000), wk = 0.0021053 k( 147) = ( 0.2128514 0.3686695 -0.0000000), wk = 0.0021053 k( 148) = ( 0.2088353 0.3617134 -0.0000000), wk = 0.0021053 k( 149) = ( 0.2048193 0.3547574 -0.0000000), wk = 0.0021053 k( 150) = ( 0.2008032 0.3478014 -0.0000000), wk = 0.0021053 k( 151) = ( 0.1967871 0.3408453 -0.0000000), wk = 0.0021053 k( 152) = ( 0.1927711 0.3338893 -0.0000000), wk = 0.0021053 k( 153) = ( 0.1887550 0.3269333 -0.0000000), wk = 0.0021053 k( 154) = ( 0.1847390 0.3199773 -0.0000000), wk = 0.0021053 k( 155) = ( 0.1807229 0.3130212 -0.0000000), wk = 0.0021053 k( 156) = ( 0.1767068 0.3060652 -0.0000000), wk = 0.0021053 k( 157) = ( 0.1726908 0.2991092 -0.0000000), wk = 0.0021053 k( 158) = ( 0.1686747 0.2921532 -0.0000000), wk = 0.0021053 k( 159) = ( 0.1646586 0.2851971 -0.0000000), wk = 0.0021053 k( 160) = ( 0.1606426 0.2782411 -0.0000000), wk = 0.0021053 k( 161) = ( 0.1566265 0.2712851 -0.0000000), wk = 0.0021053 k( 162) = ( 0.1526104 0.2643290 -0.0000000), wk = 0.0021053 k( 163) = ( 0.1485944 0.2573730 -0.0000000), wk = 0.0021053 k( 164) = ( 0.1445783 0.2504170 -0.0000000), wk = 0.0021053 k( 165) = ( 0.1405622 0.2434610 -0.0000000), wk = 0.0021053 k( 166) = ( 0.1365462 0.2365049 -0.0000000), wk = 0.0021053 k( 167) = ( 0.1325301 0.2295489 -0.0000000), wk = 0.0021053 k( 168) = ( 0.1285141 0.2225929 -0.0000000), wk = 0.0021053 k( 169) = ( 0.1244980 0.2156368 -0.0000000), wk = 0.0021053 k( 170) = ( 0.1204819 0.2086808 -0.0000000), wk = 0.0021053 k( 171) = ( 0.1164659 0.2017248 -0.0000000), wk = 0.0021053 k( 172) = ( 0.1124498 0.1947688 -0.0000000), wk = 0.0021053 k( 173) = ( 0.1084337 0.1878127 -0.0000000), wk = 0.0021053 k( 174) = ( 0.1044177 0.1808567 -0.0000000), wk = 0.0021053 k( 175) = ( 0.1004016 0.1739007 -0.0000000), wk = 0.0021053 k( 176) = ( 0.0963855 0.1669447 -0.0000000), wk = 0.0021053 k( 177) = ( 0.0923695 0.1599886 -0.0000000), wk = 0.0021053 k( 178) = ( 0.0883534 0.1530326 -0.0000000), wk = 0.0021053 k( 179) = ( 0.0843374 0.1460766 -0.0000000), wk = 0.0021053 k( 180) = ( 0.0803213 0.1391206 -0.0000000), wk = 0.0021053 k( 181) = ( 0.0763052 0.1321645 -0.0000000), wk = 0.0021053 k( 182) = ( 0.0722892 0.1252085 -0.0000000), wk = 0.0021053 k( 183) = ( 0.0682731 0.1182525 -0.0000000), wk = 0.0021053 k( 184) = ( 0.0642570 0.1112964 -0.0000000), wk = 0.0021053 k( 185) = ( 0.0602410 0.1043404 -0.0000000), wk = 0.0021053 k( 186) = ( 0.0562249 0.0973844 -0.0000000), wk = 0.0021053 k( 187) = ( 0.0522088 0.0904284 -0.0000000), wk = 0.0021053 k( 188) = ( 0.0481928 0.0834723 -0.0000000), wk = 0.0021053 k( 189) = ( 0.0441767 0.0765163 -0.0000000), wk = 0.0021053 k( 190) = ( 0.0401606 0.0695603 -0.0000000), wk = 0.0021053 k( 191) = ( 0.0361446 0.0626042 -0.0000000), wk = 0.0021053 k( 192) = ( 0.0321285 0.0556482 -0.0000000), wk = 0.0021053 k( 193) = ( 0.0281125 0.0486922 -0.0000000), wk = 0.0021053 k( 194) = ( 0.0240964 0.0417362 -0.0000000), wk = 0.0021053 k( 195) = ( 0.0200803 0.0347801 -0.0000000), wk = 0.0021053 k( 196) = ( 0.0160643 0.0278241 -0.0000000), wk = 0.0021053 k( 197) = ( 0.0120482 0.0208681 -0.0000000), wk = 0.0021053 k( 198) = ( 0.0080321 0.0139121 -0.0000000), wk = 0.0021053 k( 199) = ( 0.0040161 0.0069560 -0.0000000), wk = 0.0021053 k( 200) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021053 k( 201) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021053 k( 202) = ( 0.0000000 0.0000000 0.0080201), wk = 0.0021053 k( 203) = ( 0.0000000 0.0000000 0.0160402), wk = 0.0021053 k( 204) = ( 0.0000000 0.0000000 0.0240603), wk = 0.0021053 k( 205) = ( 0.0000000 0.0000000 0.0320804), wk = 0.0021053 k( 206) = ( 0.0000000 0.0000000 0.0401005), wk = 0.0021053 k( 207) = ( 0.0000000 0.0000000 0.0481206), wk = 0.0021053 k( 208) = ( 0.0000000 0.0000000 0.0561407), wk = 0.0021053 k( 209) = ( 0.0000000 0.0000000 0.0641609), wk = 0.0021053 k( 210) = ( 0.0000000 0.0000000 0.0721810), wk = 0.0021053 k( 211) = ( 0.0000000 0.0000000 0.0802011), wk = 0.0021053 k( 212) = ( 0.0000000 0.0000000 0.0882212), wk = 0.0021053 k( 213) = ( 0.0000000 0.0000000 0.0962413), wk = 0.0021053 k( 214) = ( 0.0000000 0.0000000 0.1042614), wk = 0.0021053 k( 215) = ( 0.0000000 0.0000000 0.1122815), wk = 0.0021053 k( 216) = ( 0.0000000 0.0000000 0.1203016), wk = 0.0021053 k( 217) = ( 0.0000000 0.0000000 0.1283217), wk = 0.0021053 k( 218) = ( 0.0000000 0.0000000 0.1363418), wk = 0.0021053 k( 219) = ( 0.0000000 0.0000000 0.1443619), wk = 0.0021053 k( 220) = ( 0.0000000 0.0000000 0.1523820), wk = 0.0021053 k( 221) = ( 0.0000000 0.0000000 0.1604021), wk = 0.0021053 k( 222) = ( 0.0000000 0.0000000 0.1684222), wk = 0.0021053 k( 223) = ( 0.0000000 0.0000000 0.1764424), wk = 0.0021053 k( 224) = ( 0.0000000 0.0000000 0.1844625), wk = 0.0021053 k( 225) = ( 0.0000000 0.0000000 0.1924826), wk = 0.0021053 k( 226) = ( 0.0000000 0.0000000 0.1924826), wk = 0.0021053 k( 227) = ( 0.0069444 0.0040094 0.1924826), wk = 0.0021053 k( 228) = ( 0.0138889 0.0080188 0.1924826), wk = 0.0021053 k( 229) = ( 0.0208333 0.0120281 0.1924826), wk = 0.0021053 k( 230) = ( 0.0277778 0.0160375 0.1924826), wk = 0.0021053 k( 231) = ( 0.0347222 0.0200469 0.1924826), wk = 0.0021053 k( 232) = ( 0.0416667 0.0240563 0.1924826), wk = 0.0021053 k( 233) = ( 0.0486111 0.0280656 0.1924826), wk = 0.0021053 k( 234) = ( 0.0555556 0.0320750 0.1924826), wk = 0.0021053 k( 235) = ( 0.0625000 0.0360844 0.1924826), wk = 0.0021053 k( 236) = ( 0.0694444 0.0400938 0.1924826), wk = 0.0021053 k( 237) = ( 0.0763889 0.0441031 0.1924826), wk = 0.0021053 k( 238) = ( 0.0833333 0.0481125 0.1924826), wk = 0.0021053 k( 239) = ( 0.0902778 0.0521219 0.1924826), wk = 0.0021053 k( 240) = ( 0.0972222 0.0561313 0.1924826), wk = 0.0021053 k( 241) = ( 0.1041667 0.0601407 0.1924826), wk = 0.0021053 k( 242) = ( 0.1111111 0.0641500 0.1924826), wk = 0.0021053 k( 243) = ( 0.1180556 0.0681594 0.1924826), wk = 0.0021053 k( 244) = ( 0.1250000 0.0721688 0.1924826), wk = 0.0021053 k( 245) = ( 0.1319444 0.0761782 0.1924826), wk = 0.0021053 k( 246) = ( 0.1388889 0.0801875 0.1924826), wk = 0.0021053 k( 247) = ( 0.1458333 0.0841969 0.1924826), wk = 0.0021053 k( 248) = ( 0.1527778 0.0882063 0.1924826), wk = 0.0021053 k( 249) = ( 0.1597222 0.0922157 0.1924826), wk = 0.0021053 k( 250) = ( 0.1666667 0.0962250 0.1924826), wk = 0.0021053 k( 251) = ( 0.1736111 0.1002344 0.1924826), wk = 0.0021053 k( 252) = ( 0.1805556 0.1042438 0.1924826), wk = 0.0021053 k( 253) = ( 0.1875000 0.1082532 0.1924826), wk = 0.0021053 k( 254) = ( 0.1944444 0.1122625 0.1924826), wk = 0.0021053 k( 255) = ( 0.2013889 0.1162719 0.1924826), wk = 0.0021053 k( 256) = ( 0.2083333 0.1202813 0.1924826), wk = 0.0021053 k( 257) = ( 0.2152778 0.1242907 0.1924826), wk = 0.0021053 k( 258) = ( 0.2222222 0.1283001 0.1924826), wk = 0.0021053 k( 259) = ( 0.2291667 0.1323094 0.1924826), wk = 0.0021053 k( 260) = ( 0.2361111 0.1363188 0.1924826), wk = 0.0021053 k( 261) = ( 0.2430556 0.1403282 0.1924826), wk = 0.0021053 k( 262) = ( 0.2500000 0.1443376 0.1924826), wk = 0.0021053 k( 263) = ( 0.2569444 0.1483469 0.1924826), wk = 0.0021053 k( 264) = ( 0.2638889 0.1523563 0.1924826), wk = 0.0021053 k( 265) = ( 0.2708333 0.1563657 0.1924826), wk = 0.0021053 k( 266) = ( 0.2777778 0.1603751 0.1924826), wk = 0.0021053 k( 267) = ( 0.2847222 0.1643845 0.1924826), wk = 0.0021053 k( 268) = ( 0.2916667 0.1683938 0.1924826), wk = 0.0021053 k( 269) = ( 0.2986111 0.1724032 0.1924826), wk = 0.0021053 k( 270) = ( 0.3055556 0.1764126 0.1924826), wk = 0.0021053 k( 271) = ( 0.3125000 0.1804220 0.1924826), wk = 0.0021053 k( 272) = ( 0.3194444 0.1844313 0.1924826), wk = 0.0021053 k( 273) = ( 0.3263889 0.1884407 0.1924826), wk = 0.0021053 k( 274) = ( 0.3333333 0.1924501 0.1924826), wk = 0.0021053 k( 275) = ( 0.3402778 0.1964595 0.1924826), wk = 0.0021053 k( 276) = ( 0.3472222 0.2004688 0.1924826), wk = 0.0021053 k( 277) = ( 0.3541667 0.2044782 0.1924826), wk = 0.0021053 k( 278) = ( 0.3611111 0.2084876 0.1924826), wk = 0.0021053 k( 279) = ( 0.3680556 0.2124970 0.1924826), wk = 0.0021053 k( 280) = ( 0.3750000 0.2165064 0.1924826), wk = 0.0021053 k( 281) = ( 0.3819444 0.2205157 0.1924826), wk = 0.0021053 k( 282) = ( 0.3888889 0.2245251 0.1924826), wk = 0.0021053 k( 283) = ( 0.3958333 0.2285345 0.1924826), wk = 0.0021053 k( 284) = ( 0.4027778 0.2325439 0.1924826), wk = 0.0021053 k( 285) = ( 0.4097222 0.2365532 0.1924826), wk = 0.0021053 k( 286) = ( 0.4166667 0.2405626 0.1924826), wk = 0.0021053 k( 287) = ( 0.4236111 0.2445720 0.1924826), wk = 0.0021053 k( 288) = ( 0.4305556 0.2485814 0.1924826), wk = 0.0021053 k( 289) = ( 0.4375000 0.2525907 0.1924826), wk = 0.0021053 k( 290) = ( 0.4444444 0.2566001 0.1924826), wk = 0.0021053 k( 291) = ( 0.4513889 0.2606095 0.1924826), wk = 0.0021053 k( 292) = ( 0.4583333 0.2646189 0.1924826), wk = 0.0021053 k( 293) = ( 0.4652778 0.2686283 0.1924826), wk = 0.0021053 k( 294) = ( 0.4722222 0.2726376 0.1924826), wk = 0.0021053 k( 295) = ( 0.4791667 0.2766470 0.1924826), wk = 0.0021053 k( 296) = ( 0.4861111 0.2806564 0.1924826), wk = 0.0021053 k( 297) = ( 0.4930556 0.2846658 0.1924826), wk = 0.0021053 k( 298) = ( 0.5000000 0.2886751 0.1924826), wk = 0.0021053 k( 299) = ( 0.5000000 0.2886751 0.1924826), wk = 0.0021053 k( 300) = ( 0.4960317 0.2955484 0.1924826), wk = 0.0021053 k( 301) = ( 0.4920635 0.3024216 0.1924826), wk = 0.0021053 k( 302) = ( 0.4880952 0.3092948 0.1924826), wk = 0.0021053 k( 303) = ( 0.4841270 0.3161680 0.1924826), wk = 0.0021053 k( 304) = ( 0.4801587 0.3230412 0.1924826), wk = 0.0021053 k( 305) = ( 0.4761905 0.3299144 0.1924826), wk = 0.0021053 k( 306) = ( 0.4722222 0.3367877 0.1924826), wk = 0.0021053 k( 307) = ( 0.4682540 0.3436609 0.1924826), wk = 0.0021053 k( 308) = ( 0.4642857 0.3505341 0.1924826), wk = 0.0021053 k( 309) = ( 0.4603175 0.3574073 0.1924826), wk = 0.0021053 k( 310) = ( 0.4563492 0.3642805 0.1924826), wk = 0.0021053 k( 311) = ( 0.4523810 0.3711537 0.1924826), wk = 0.0021053 k( 312) = ( 0.4484127 0.3780270 0.1924826), wk = 0.0021053 k( 313) = ( 0.4444444 0.3849002 0.1924826), wk = 0.0021053 k( 314) = ( 0.4404762 0.3917734 0.1924826), wk = 0.0021053 k( 315) = ( 0.4365079 0.3986466 0.1924826), wk = 0.0021053 k( 316) = ( 0.4325397 0.4055198 0.1924826), wk = 0.0021053 k( 317) = ( 0.4285714 0.4123930 0.1924826), wk = 0.0021053 k( 318) = ( 0.4246032 0.4192663 0.1924826), wk = 0.0021053 k( 319) = ( 0.4206349 0.4261395 0.1924826), wk = 0.0021053 k( 320) = ( 0.4166667 0.4330127 0.1924826), wk = 0.0021053 k( 321) = ( 0.4126984 0.4398859 0.1924826), wk = 0.0021053 k( 322) = ( 0.4087302 0.4467591 0.1924826), wk = 0.0021053 k( 323) = ( 0.4047619 0.4536324 0.1924826), wk = 0.0021053 k( 324) = ( 0.4007937 0.4605056 0.1924826), wk = 0.0021053 k( 325) = ( 0.3968254 0.4673788 0.1924826), wk = 0.0021053 k( 326) = ( 0.3928571 0.4742520 0.1924826), wk = 0.0021053 k( 327) = ( 0.3888889 0.4811252 0.1924826), wk = 0.0021053 k( 328) = ( 0.3849206 0.4879984 0.1924826), wk = 0.0021053 k( 329) = ( 0.3809524 0.4948717 0.1924826), wk = 0.0021053 k( 330) = ( 0.3769841 0.5017449 0.1924826), wk = 0.0021053 k( 331) = ( 0.3730159 0.5086181 0.1924826), wk = 0.0021053 k( 332) = ( 0.3690476 0.5154913 0.1924826), wk = 0.0021053 k( 333) = ( 0.3650794 0.5223645 0.1924826), wk = 0.0021053 k( 334) = ( 0.3611111 0.5292377 0.1924826), wk = 0.0021053 k( 335) = ( 0.3571429 0.5361110 0.1924826), wk = 0.0021053 k( 336) = ( 0.3531746 0.5429842 0.1924826), wk = 0.0021053 k( 337) = ( 0.3492063 0.5498574 0.1924826), wk = 0.0021053 k( 338) = ( 0.3452381 0.5567306 0.1924826), wk = 0.0021053 k( 339) = ( 0.3412698 0.5636038 0.1924826), wk = 0.0021053 k( 340) = ( 0.3373016 0.5704771 0.1924826), wk = 0.0021053 k( 341) = ( 0.3333333 0.5773503 0.1924826), wk = 0.0021053 k( 342) = ( 0.3333333 0.5773503 0.1924826), wk = 0.0021053 k( 343) = ( 0.3293173 0.5703942 0.1924826), wk = 0.0021053 k( 344) = ( 0.3253012 0.5634382 0.1924826), wk = 0.0021053 k( 345) = ( 0.3212851 0.5564822 0.1924826), wk = 0.0021053 k( 346) = ( 0.3172691 0.5495262 0.1924826), wk = 0.0021053 k( 347) = ( 0.3132530 0.5425701 0.1924826), wk = 0.0021053 k( 348) = ( 0.3092370 0.5356141 0.1924826), wk = 0.0021053 k( 349) = ( 0.3052209 0.5286581 0.1924826), wk = 0.0021053 k( 350) = ( 0.3012048 0.5217021 0.1924826), wk = 0.0021053 k( 351) = ( 0.2971888 0.5147460 0.1924826), wk = 0.0021053 k( 352) = ( 0.2931727 0.5077900 0.1924826), wk = 0.0021053 k( 353) = ( 0.2891566 0.5008340 0.1924826), wk = 0.0021053 k( 354) = ( 0.2851406 0.4938779 0.1924826), wk = 0.0021053 k( 355) = ( 0.2811245 0.4869219 0.1924826), wk = 0.0021053 k( 356) = ( 0.2771084 0.4799659 0.1924826), wk = 0.0021053 k( 357) = ( 0.2730924 0.4730099 0.1924826), wk = 0.0021053 k( 358) = ( 0.2690763 0.4660538 0.1924826), wk = 0.0021053 k( 359) = ( 0.2650602 0.4590978 0.1924826), wk = 0.0021053 k( 360) = ( 0.2610442 0.4521418 0.1924826), wk = 0.0021053 k( 361) = ( 0.2570281 0.4451857 0.1924826), wk = 0.0021053 k( 362) = ( 0.2530120 0.4382297 0.1924826), wk = 0.0021053 k( 363) = ( 0.2489960 0.4312737 0.1924826), wk = 0.0021053 k( 364) = ( 0.2449799 0.4243177 0.1924826), wk = 0.0021053 k( 365) = ( 0.2409639 0.4173616 0.1924826), wk = 0.0021053 k( 366) = ( 0.2369478 0.4104056 0.1924826), wk = 0.0021053 k( 367) = ( 0.2329317 0.4034496 0.1924826), wk = 0.0021053 k( 368) = ( 0.2289157 0.3964936 0.1924826), wk = 0.0021053 k( 369) = ( 0.2248996 0.3895375 0.1924826), wk = 0.0021053 k( 370) = ( 0.2208835 0.3825815 0.1924826), wk = 0.0021053 k( 371) = ( 0.2168675 0.3756255 0.1924826), wk = 0.0021053 k( 372) = ( 0.2128514 0.3686695 0.1924826), wk = 0.0021053 k( 373) = ( 0.2088353 0.3617134 0.1924826), wk = 0.0021053 k( 374) = ( 0.2048193 0.3547574 0.1924826), wk = 0.0021053 k( 375) = ( 0.2008032 0.3478014 0.1924826), wk = 0.0021053 k( 376) = ( 0.1967871 0.3408453 0.1924826), wk = 0.0021053 k( 377) = ( 0.1927711 0.3338893 0.1924826), wk = 0.0021053 k( 378) = ( 0.1887550 0.3269333 0.1924826), wk = 0.0021053 k( 379) = ( 0.1847390 0.3199773 0.1924826), wk = 0.0021053 k( 380) = ( 0.1807229 0.3130212 0.1924826), wk = 0.0021053 k( 381) = ( 0.1767068 0.3060652 0.1924826), wk = 0.0021053 k( 382) = ( 0.1726908 0.2991092 0.1924826), wk = 0.0021053 k( 383) = ( 0.1686747 0.2921532 0.1924826), wk = 0.0021053 k( 384) = ( 0.1646586 0.2851971 0.1924826), wk = 0.0021053 k( 385) = ( 0.1606426 0.2782411 0.1924826), wk = 0.0021053 k( 386) = ( 0.1566265 0.2712851 0.1924826), wk = 0.0021053 k( 387) = ( 0.1526104 0.2643290 0.1924826), wk = 0.0021053 k( 388) = ( 0.1485944 0.2573730 0.1924826), wk = 0.0021053 k( 389) = ( 0.1445783 0.2504170 0.1924826), wk = 0.0021053 k( 390) = ( 0.1405622 0.2434610 0.1924826), wk = 0.0021053 k( 391) = ( 0.1365462 0.2365049 0.1924826), wk = 0.0021053 k( 392) = ( 0.1325301 0.2295489 0.1924826), wk = 0.0021053 k( 393) = ( 0.1285141 0.2225929 0.1924826), wk = 0.0021053 k( 394) = ( 0.1244980 0.2156368 0.1924826), wk = 0.0021053 k( 395) = ( 0.1204819 0.2086808 0.1924826), wk = 0.0021053 k( 396) = ( 0.1164659 0.2017248 0.1924826), wk = 0.0021053 k( 397) = ( 0.1124498 0.1947688 0.1924826), wk = 0.0021053 k( 398) = ( 0.1084337 0.1878127 0.1924826), wk = 0.0021053 k( 399) = ( 0.1044177 0.1808567 0.1924826), wk = 0.0021053 k( 400) = ( 0.1004016 0.1739007 0.1924826), wk = 0.0021053 k( 401) = ( 0.0963855 0.1669447 0.1924826), wk = 0.0021053 k( 402) = ( 0.0923695 0.1599886 0.1924826), wk = 0.0021053 k( 403) = ( 0.0883534 0.1530326 0.1924826), wk = 0.0021053 k( 404) = ( 0.0843374 0.1460766 0.1924826), wk = 0.0021053 k( 405) = ( 0.0803213 0.1391206 0.1924826), wk = 0.0021053 k( 406) = ( 0.0763052 0.1321645 0.1924826), wk = 0.0021053 k( 407) = ( 0.0722892 0.1252085 0.1924826), wk = 0.0021053 k( 408) = ( 0.0682731 0.1182525 0.1924826), wk = 0.0021053 k( 409) = ( 0.0642570 0.1112964 0.1924826), wk = 0.0021053 k( 410) = ( 0.0602410 0.1043404 0.1924826), wk = 0.0021053 k( 411) = ( 0.0562249 0.0973844 0.1924826), wk = 0.0021053 k( 412) = ( 0.0522088 0.0904284 0.1924826), wk = 0.0021053 k( 413) = ( 0.0481928 0.0834723 0.1924826), wk = 0.0021053 k( 414) = ( 0.0441767 0.0765163 0.1924826), wk = 0.0021053 k( 415) = ( 0.0401606 0.0695603 0.1924826), wk = 0.0021053 k( 416) = ( 0.0361446 0.0626042 0.1924826), wk = 0.0021053 k( 417) = ( 0.0321285 0.0556482 0.1924826), wk = 0.0021053 k( 418) = ( 0.0281125 0.0486922 0.1924826), wk = 0.0021053 k( 419) = ( 0.0240964 0.0417362 0.1924826), wk = 0.0021053 k( 420) = ( 0.0200803 0.0347801 0.1924826), wk = 0.0021053 k( 421) = ( 0.0160643 0.0278241 0.1924826), wk = 0.0021053 k( 422) = ( 0.0120482 0.0208681 0.1924826), wk = 0.0021053 k( 423) = ( 0.0080321 0.0139121 0.1924826), wk = 0.0021053 k( 424) = ( 0.0040161 0.0069560 0.1924826), wk = 0.0021053 k( 425) = ( 0.0000000 0.0000000 0.1924826), wk = 0.0021053 k( 426) = ( 0.5000000 0.2886751 0.1924826), wk = 0.0021053 k( 427) = ( 0.5000000 0.2886751 0.1844625), wk = 0.0021053 k( 428) = ( 0.5000000 0.2886751 0.1764424), wk = 0.0021053 k( 429) = ( 0.5000000 0.2886751 0.1684222), wk = 0.0021053 k( 430) = ( 0.5000000 0.2886751 0.1604021), wk = 0.0021053 k( 431) = ( 0.5000000 0.2886751 0.1523820), wk = 0.0021053 k( 432) = ( 0.5000000 0.2886751 0.1443619), wk = 0.0021053 k( 433) = ( 0.5000000 0.2886751 0.1363418), wk = 0.0021053 k( 434) = ( 0.5000000 0.2886751 0.1283217), wk = 0.0021053 k( 435) = ( 0.5000000 0.2886751 0.1203016), wk = 0.0021053 k( 436) = ( 0.5000000 0.2886751 0.1122815), wk = 0.0021053 k( 437) = ( 0.5000000 0.2886751 0.1042614), wk = 0.0021053 k( 438) = ( 0.5000000 0.2886751 0.0962413), wk = 0.0021053 k( 439) = ( 0.5000000 0.2886751 0.0882212), wk = 0.0021053 k( 440) = ( 0.5000000 0.2886751 0.0802011), wk = 0.0021053 k( 441) = ( 0.5000000 0.2886751 0.0721810), wk = 0.0021053 k( 442) = ( 0.5000000 0.2886751 0.0641609), wk = 0.0021053 k( 443) = ( 0.5000000 0.2886751 0.0561407), wk = 0.0021053 k( 444) = ( 0.5000000 0.2886751 0.0481206), wk = 0.0021053 k( 445) = ( 0.5000000 0.2886751 0.0401005), wk = 0.0021053 k( 446) = ( 0.5000000 0.2886751 0.0320804), wk = 0.0021053 k( 447) = ( 0.5000000 0.2886751 0.0240603), wk = 0.0021053 k( 448) = ( 0.5000000 0.2886751 0.0160402), wk = 0.0021053 k( 449) = ( 0.5000000 0.2886751 0.0080201), wk = 0.0021053 k( 450) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0021053 k( 451) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0021053 k( 452) = ( 0.3333333 0.5773503 0.0080201), wk = 0.0021053 k( 453) = ( 0.3333333 0.5773503 0.0160402), wk = 0.0021053 k( 454) = ( 0.3333333 0.5773503 0.0240603), wk = 0.0021053 k( 455) = ( 0.3333333 0.5773503 0.0320804), wk = 0.0021053 k( 456) = ( 0.3333333 0.5773503 0.0401005), wk = 0.0021053 k( 457) = ( 0.3333333 0.5773503 0.0481206), wk = 0.0021053 k( 458) = ( 0.3333333 0.5773503 0.0561407), wk = 0.0021053 k( 459) = ( 0.3333333 0.5773503 0.0641609), wk = 0.0021053 k( 460) = ( 0.3333333 0.5773503 0.0721810), wk = 0.0021053 k( 461) = ( 0.3333333 0.5773503 0.0802011), wk = 0.0021053 k( 462) = ( 0.3333333 0.5773503 0.0882212), wk = 0.0021053 k( 463) = ( 0.3333333 0.5773503 0.0962413), wk = 0.0021053 k( 464) = ( 0.3333333 0.5773503 0.1042614), wk = 0.0021053 k( 465) = ( 0.3333333 0.5773503 0.1122815), wk = 0.0021053 k( 466) = ( 0.3333333 0.5773503 0.1203016), wk = 0.0021053 k( 467) = ( 0.3333333 0.5773503 0.1283217), wk = 0.0021053 k( 468) = ( 0.3333333 0.5773503 0.1363418), wk = 0.0021053 k( 469) = ( 0.3333333 0.5773503 0.1443619), wk = 0.0021053 k( 470) = ( 0.3333333 0.5773503 0.1523820), wk = 0.0021053 k( 471) = ( 0.3333333 0.5773503 0.1604021), wk = 0.0021053 k( 472) = ( 0.3333333 0.5773503 0.1684222), wk = 0.0021053 k( 473) = ( 0.3333333 0.5773503 0.1764424), wk = 0.0021053 k( 474) = ( 0.3333333 0.5773503 0.1844625), wk = 0.0021053 k( 475) = ( 0.3333333 0.5773503 0.1924826), wk = 0.0021053 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021053 k( 2) = ( 0.0069444 -0.0000000 -0.0000000), wk = 0.0021053 k( 3) = ( 0.0138889 -0.0000000 0.0000000), wk = 0.0021053 k( 4) = ( 0.0208333 -0.0000000 0.0000000), wk = 0.0021053 k( 5) = ( 0.0277778 -0.0000000 0.0000000), wk = 0.0021053 k( 6) = ( 0.0347222 -0.0000000 0.0000000), wk = 0.0021053 k( 7) = ( 0.0416667 -0.0000000 0.0000000), wk = 0.0021053 k( 8) = ( 0.0486111 -0.0000000 0.0000000), wk = 0.0021053 k( 9) = ( 0.0555556 -0.0000000 0.0000000), wk = 0.0021053 k( 10) = ( 0.0625000 -0.0000000 -0.0000000), wk = 0.0021053 k( 11) = ( 0.0694444 -0.0000000 0.0000000), wk = 0.0021053 k( 12) = ( 0.0763889 -0.0000000 -0.0000000), wk = 0.0021053 k( 13) = ( 0.0833333 -0.0000000 0.0000000), wk = 0.0021053 k( 14) = ( 0.0902778 -0.0000000 0.0000000), wk = 0.0021053 k( 15) = ( 0.0972222 -0.0000000 0.0000000), wk = 0.0021053 k( 16) = ( 0.1041667 -0.0000000 0.0000000), wk = 0.0021053 k( 17) = ( 0.1111111 -0.0000000 -0.0000000), wk = 0.0021053 k( 18) = ( 0.1180556 -0.0000000 -0.0000000), wk = 0.0021053 k( 19) = ( 0.1250000 -0.0000000 -0.0000000), wk = 0.0021053 k( 20) = ( 0.1319444 -0.0000000 0.0000000), wk = 0.0021053 k( 21) = ( 0.1388889 -0.0000000 0.0000000), wk = 0.0021053 k( 22) = ( 0.1458333 -0.0000000 0.0000000), wk = 0.0021053 k( 23) = ( 0.1527778 -0.0000000 -0.0000000), wk = 0.0021053 k( 24) = ( 0.1597222 -0.0000000 0.0000000), wk = 0.0021053 k( 25) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0021053 k( 26) = ( 0.1736111 -0.0000000 0.0000000), wk = 0.0021053 k( 27) = ( 0.1805556 -0.0000000 0.0000000), wk = 0.0021053 k( 28) = ( 0.1875000 -0.0000000 0.0000000), wk = 0.0021053 k( 29) = ( 0.1944444 -0.0000000 0.0000000), wk = 0.0021053 k( 30) = ( 0.2013889 -0.0000000 0.0000000), wk = 0.0021053 k( 31) = ( 0.2083333 -0.0000000 0.0000000), wk = 0.0021053 k( 32) = ( 0.2152778 -0.0000000 0.0000000), wk = 0.0021053 k( 33) = ( 0.2222222 -0.0000000 -0.0000000), wk = 0.0021053 k( 34) = ( 0.2291667 -0.0000000 0.0000000), wk = 0.0021053 k( 35) = ( 0.2361111 -0.0000000 0.0000000), wk = 0.0021053 k( 36) = ( 0.2430556 -0.0000000 -0.0000000), wk = 0.0021053 k( 37) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0021053 k( 38) = ( 0.2569444 -0.0000000 0.0000000), wk = 0.0021053 k( 39) = ( 0.2638889 -0.0000000 0.0000000), wk = 0.0021053 k( 40) = ( 0.2708333 -0.0000000 0.0000000), wk = 0.0021053 k( 41) = ( 0.2777778 -0.0000000 0.0000000), wk = 0.0021053 k( 42) = ( 0.2847222 -0.0000000 0.0000000), wk = 0.0021053 k( 43) = ( 0.2916667 -0.0000000 0.0000000), wk = 0.0021053 k( 44) = ( 0.2986111 -0.0000000 0.0000000), wk = 0.0021053 k( 45) = ( 0.3055556 -0.0000000 -0.0000000), wk = 0.0021053 k( 46) = ( 0.3125000 -0.0000000 -0.0000000), wk = 0.0021053 k( 47) = ( 0.3194444 -0.0000000 0.0000000), wk = 0.0021053 k( 48) = ( 0.3263889 -0.0000000 0.0000000), wk = 0.0021053 k( 49) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0021053 k( 50) = ( 0.3402778 -0.0000000 0.0000000), wk = 0.0021053 k( 51) = ( 0.3472222 -0.0000000 0.0000000), wk = 0.0021053 k( 52) = ( 0.3541667 -0.0000000 0.0000000), wk = 0.0021053 k( 53) = ( 0.3611111 -0.0000000 0.0000000), wk = 0.0021053 k( 54) = ( 0.3680556 -0.0000000 0.0000000), wk = 0.0021053 k( 55) = ( 0.3750000 -0.0000000 0.0000000), wk = 0.0021053 k( 56) = ( 0.3819444 -0.0000000 0.0000000), wk = 0.0021053 k( 57) = ( 0.3888889 -0.0000000 0.0000000), wk = 0.0021053 k( 58) = ( 0.3958333 -0.0000000 0.0000000), wk = 0.0021053 k( 59) = ( 0.4027778 -0.0000000 0.0000000), wk = 0.0021053 k( 60) = ( 0.4097222 -0.0000000 0.0000000), wk = 0.0021053 k( 61) = ( 0.4166667 -0.0000000 0.0000000), wk = 0.0021053 k( 62) = ( 0.4236111 -0.0000000 0.0000000), wk = 0.0021053 k( 63) = ( 0.4305556 -0.0000000 0.0000000), wk = 0.0021053 k( 64) = ( 0.4375000 -0.0000000 0.0000000), wk = 0.0021053 k( 65) = ( 0.4444444 -0.0000000 -0.0000000), wk = 0.0021053 k( 66) = ( 0.4513889 -0.0000000 0.0000000), wk = 0.0021053 k( 67) = ( 0.4583333 -0.0000000 0.0000000), wk = 0.0021053 k( 68) = ( 0.4652778 -0.0000000 -0.0000000), wk = 0.0021053 k( 69) = ( 0.4722222 -0.0000000 0.0000000), wk = 0.0021053 k( 70) = ( 0.4791667 -0.0000000 0.0000000), wk = 0.0021053 k( 71) = ( 0.4861111 -0.0000000 0.0000000), wk = 0.0021053 k( 72) = ( 0.4930556 -0.0000000 -0.0000000), wk = 0.0021053 k( 73) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0021053 k( 74) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0021053 k( 75) = ( 0.4960317 0.0079365 0.0000000), wk = 0.0021053 k( 76) = ( 0.4920635 0.0158730 -0.0000000), wk = 0.0021053 k( 77) = ( 0.4880952 0.0238095 0.0000000), wk = 0.0021053 k( 78) = ( 0.4841270 0.0317460 -0.0000000), wk = 0.0021053 k( 79) = ( 0.4801587 0.0396825 0.0000000), wk = 0.0021053 k( 80) = ( 0.4761905 0.0476190 0.0000000), wk = 0.0021053 k( 81) = ( 0.4722222 0.0555556 0.0000000), wk = 0.0021053 k( 82) = ( 0.4682540 0.0634921 0.0000000), wk = 0.0021053 k( 83) = ( 0.4642857 0.0714286 -0.0000000), wk = 0.0021053 k( 84) = ( 0.4603175 0.0793651 0.0000000), wk = 0.0021053 k( 85) = ( 0.4563492 0.0873016 0.0000000), wk = 0.0021053 k( 86) = ( 0.4523810 0.0952381 0.0000000), wk = 0.0021053 k( 87) = ( 0.4484127 0.1031746 -0.0000000), wk = 0.0021053 k( 88) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0021053 k( 89) = ( 0.4404762 0.1190476 -0.0000000), wk = 0.0021053 k( 90) = ( 0.4365079 0.1269841 0.0000000), wk = 0.0021053 k( 91) = ( 0.4325397 0.1349206 0.0000000), wk = 0.0021053 k( 92) = ( 0.4285714 0.1428571 0.0000000), wk = 0.0021053 k( 93) = ( 0.4246032 0.1507937 0.0000000), wk = 0.0021053 k( 94) = ( 0.4206349 0.1587302 0.0000000), wk = 0.0021053 k( 95) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0021053 k( 96) = ( 0.4126984 0.1746032 -0.0000000), wk = 0.0021053 k( 97) = ( 0.4087302 0.1825397 0.0000000), wk = 0.0021053 k( 98) = ( 0.4047619 0.1904762 0.0000000), wk = 0.0021053 k( 99) = ( 0.4007937 0.1984127 0.0000000), wk = 0.0021053 k( 100) = ( 0.3968254 0.2063492 -0.0000000), wk = 0.0021053 k( 101) = ( 0.3928571 0.2142857 0.0000000), wk = 0.0021053 k( 102) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0021053 k( 103) = ( 0.3849206 0.2301587 0.0000000), wk = 0.0021053 k( 104) = ( 0.3809524 0.2380952 0.0000000), wk = 0.0021053 k( 105) = ( 0.3769841 0.2460317 -0.0000000), wk = 0.0021053 k( 106) = ( 0.3730159 0.2539682 0.0000000), wk = 0.0021053 k( 107) = ( 0.3690476 0.2619048 0.0000000), wk = 0.0021053 k( 108) = ( 0.3650794 0.2698413 -0.0000000), wk = 0.0021053 k( 109) = ( 0.3611111 0.2777778 -0.0000000), wk = 0.0021053 k( 110) = ( 0.3571429 0.2857143 0.0000000), wk = 0.0021053 k( 111) = ( 0.3531746 0.2936508 0.0000000), wk = 0.0021053 k( 112) = ( 0.3492063 0.3015873 0.0000000), wk = 0.0021053 k( 113) = ( 0.3452381 0.3095238 -0.0000000), wk = 0.0021053 k( 114) = ( 0.3412698 0.3174603 0.0000000), wk = 0.0021053 k( 115) = ( 0.3373016 0.3253968 -0.0000000), wk = 0.0021053 k( 116) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0021053 k( 117) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0021053 k( 118) = ( 0.3293173 0.3293173 0.0000000), wk = 0.0021053 k( 119) = ( 0.3253012 0.3253012 0.0000000), wk = 0.0021053 k( 120) = ( 0.3212851 0.3212851 -0.0000000), wk = 0.0021053 k( 121) = ( 0.3172691 0.3172691 0.0000000), wk = 0.0021053 k( 122) = ( 0.3132530 0.3132530 0.0000000), wk = 0.0021053 k( 123) = ( 0.3092370 0.3092370 0.0000000), wk = 0.0021053 k( 124) = ( 0.3052209 0.3052209 0.0000000), wk = 0.0021053 k( 125) = ( 0.3012048 0.3012048 0.0000000), wk = 0.0021053 k( 126) = ( 0.2971888 0.2971888 -0.0000000), wk = 0.0021053 k( 127) = ( 0.2931727 0.2931727 -0.0000000), wk = 0.0021053 k( 128) = ( 0.2891566 0.2891566 0.0000000), wk = 0.0021053 k( 129) = ( 0.2851406 0.2851406 -0.0000000), wk = 0.0021053 k( 130) = ( 0.2811245 0.2811245 0.0000000), wk = 0.0021053 k( 131) = ( 0.2771084 0.2771084 0.0000000), wk = 0.0021053 k( 132) = ( 0.2730924 0.2730924 0.0000000), wk = 0.0021053 k( 133) = ( 0.2690763 0.2690763 0.0000000), wk = 0.0021053 k( 134) = ( 0.2650602 0.2650602 0.0000000), wk = 0.0021053 k( 135) = ( 0.2610442 0.2610442 0.0000000), wk = 0.0021053 k( 136) = ( 0.2570281 0.2570281 0.0000000), wk = 0.0021053 k( 137) = ( 0.2530120 0.2530120 0.0000000), wk = 0.0021053 k( 138) = ( 0.2489960 0.2489960 0.0000000), wk = 0.0021053 k( 139) = ( 0.2449799 0.2449799 0.0000000), wk = 0.0021053 k( 140) = ( 0.2409639 0.2409639 -0.0000000), wk = 0.0021053 k( 141) = ( 0.2369478 0.2369478 -0.0000000), wk = 0.0021053 k( 142) = ( 0.2329317 0.2329317 -0.0000000), wk = 0.0021053 k( 143) = ( 0.2289157 0.2289157 -0.0000000), wk = 0.0021053 k( 144) = ( 0.2248996 0.2248996 0.0000000), wk = 0.0021053 k( 145) = ( 0.2208835 0.2208835 0.0000000), wk = 0.0021053 k( 146) = ( 0.2168675 0.2168675 0.0000000), wk = 0.0021053 k( 147) = ( 0.2128514 0.2128514 0.0000000), wk = 0.0021053 k( 148) = ( 0.2088353 0.2088353 0.0000000), wk = 0.0021053 k( 149) = ( 0.2048193 0.2048193 0.0000000), wk = 0.0021053 k( 150) = ( 0.2008032 0.2008032 -0.0000000), wk = 0.0021053 k( 151) = ( 0.1967871 0.1967871 0.0000000), wk = 0.0021053 k( 152) = ( 0.1927711 0.1927711 0.0000000), wk = 0.0021053 k( 153) = ( 0.1887550 0.1887550 -0.0000000), wk = 0.0021053 k( 154) = ( 0.1847390 0.1847390 0.0000000), wk = 0.0021053 k( 155) = ( 0.1807229 0.1807229 -0.0000000), wk = 0.0021053 k( 156) = ( 0.1767068 0.1767068 0.0000000), wk = 0.0021053 k( 157) = ( 0.1726908 0.1726908 0.0000000), wk = 0.0021053 k( 158) = ( 0.1686747 0.1686747 -0.0000000), wk = 0.0021053 k( 159) = ( 0.1646586 0.1646586 -0.0000000), wk = 0.0021053 k( 160) = ( 0.1606426 0.1606426 -0.0000000), wk = 0.0021053 k( 161) = ( 0.1566265 0.1566265 0.0000000), wk = 0.0021053 k( 162) = ( 0.1526104 0.1526104 0.0000000), wk = 0.0021053 k( 163) = ( 0.1485944 0.1485944 -0.0000000), wk = 0.0021053 k( 164) = ( 0.1445783 0.1445783 -0.0000000), wk = 0.0021053 k( 165) = ( 0.1405622 0.1405622 0.0000000), wk = 0.0021053 k( 166) = ( 0.1365462 0.1365462 0.0000000), wk = 0.0021053 k( 167) = ( 0.1325301 0.1325301 0.0000000), wk = 0.0021053 k( 168) = ( 0.1285141 0.1285141 -0.0000000), wk = 0.0021053 k( 169) = ( 0.1244980 0.1244980 0.0000000), wk = 0.0021053 k( 170) = ( 0.1204819 0.1204819 -0.0000000), wk = 0.0021053 k( 171) = ( 0.1164659 0.1164659 0.0000000), wk = 0.0021053 k( 172) = ( 0.1124498 0.1124498 0.0000000), wk = 0.0021053 k( 173) = ( 0.1084337 0.1084337 0.0000000), wk = 0.0021053 k( 174) = ( 0.1044177 0.1044177 0.0000000), wk = 0.0021053 k( 175) = ( 0.1004016 0.1004016 0.0000000), wk = 0.0021053 k( 176) = ( 0.0963855 0.0963855 0.0000000), wk = 0.0021053 k( 177) = ( 0.0923695 0.0923695 0.0000000), wk = 0.0021053 k( 178) = ( 0.0883534 0.0883534 -0.0000000), wk = 0.0021053 k( 179) = ( 0.0843374 0.0843374 -0.0000000), wk = 0.0021053 k( 180) = ( 0.0803213 0.0803213 0.0000000), wk = 0.0021053 k( 181) = ( 0.0763052 0.0763052 0.0000000), wk = 0.0021053 k( 182) = ( 0.0722892 0.0722892 0.0000000), wk = 0.0021053 k( 183) = ( 0.0682731 0.0682731 0.0000000), wk = 0.0021053 k( 184) = ( 0.0642570 0.0642570 -0.0000000), wk = 0.0021053 k( 185) = ( 0.0602410 0.0602410 -0.0000000), wk = 0.0021053 k( 186) = ( 0.0562249 0.0562249 0.0000000), wk = 0.0021053 k( 187) = ( 0.0522088 0.0522088 0.0000000), wk = 0.0021053 k( 188) = ( 0.0481928 0.0481928 0.0000000), wk = 0.0021053 k( 189) = ( 0.0441767 0.0441767 -0.0000000), wk = 0.0021053 k( 190) = ( 0.0401606 0.0401606 0.0000000), wk = 0.0021053 k( 191) = ( 0.0361446 0.0361446 0.0000000), wk = 0.0021053 k( 192) = ( 0.0321285 0.0321285 0.0000000), wk = 0.0021053 k( 193) = ( 0.0281125 0.0281125 0.0000000), wk = 0.0021053 k( 194) = ( 0.0240964 0.0240964 0.0000000), wk = 0.0021053 k( 195) = ( 0.0200803 0.0200803 0.0000000), wk = 0.0021053 k( 196) = ( 0.0160643 0.0160643 -0.0000000), wk = 0.0021053 k( 197) = ( 0.0120482 0.0120482 0.0000000), wk = 0.0021053 k( 198) = ( 0.0080321 0.0080321 -0.0000000), wk = 0.0021053 k( 199) = ( 0.0040161 0.0040161 0.0000000), wk = 0.0021053 k( 200) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021053 k( 201) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021053 k( 202) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0021053 k( 203) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0021053 k( 204) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0021053 k( 205) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0021053 k( 206) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0021053 k( 207) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0021053 k( 208) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0021053 k( 209) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0021053 k( 210) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0021053 k( 211) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0021053 k( 212) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0021053 k( 213) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0021053 k( 214) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0021053 k( 215) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0021053 k( 216) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0021053 k( 217) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0021053 k( 218) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0021053 k( 219) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0021053 k( 220) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0021053 k( 221) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0021053 k( 222) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0021053 k( 223) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0021053 k( 224) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0021053 k( 225) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021053 k( 226) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021053 k( 227) = ( 0.0069444 -0.0000000 0.5000000), wk = 0.0021053 k( 228) = ( 0.0138889 -0.0000000 0.5000000), wk = 0.0021053 k( 229) = ( 0.0208333 -0.0000000 0.5000000), wk = 0.0021053 k( 230) = ( 0.0277778 -0.0000000 0.5000000), wk = 0.0021053 k( 231) = ( 0.0347222 -0.0000000 0.5000000), wk = 0.0021053 k( 232) = ( 0.0416667 -0.0000000 0.5000000), wk = 0.0021053 k( 233) = ( 0.0486111 -0.0000000 0.5000000), wk = 0.0021053 k( 234) = ( 0.0555556 -0.0000000 0.5000000), wk = 0.0021053 k( 235) = ( 0.0625000 -0.0000000 0.5000000), wk = 0.0021053 k( 236) = ( 0.0694444 -0.0000000 0.5000000), wk = 0.0021053 k( 237) = ( 0.0763889 -0.0000000 0.5000000), wk = 0.0021053 k( 238) = ( 0.0833333 -0.0000000 0.5000000), wk = 0.0021053 k( 239) = ( 0.0902778 -0.0000000 0.5000000), wk = 0.0021053 k( 240) = ( 0.0972222 -0.0000000 0.5000000), wk = 0.0021053 k( 241) = ( 0.1041667 -0.0000000 0.5000000), wk = 0.0021053 k( 242) = ( 0.1111111 -0.0000000 0.5000000), wk = 0.0021053 k( 243) = ( 0.1180556 -0.0000000 0.5000000), wk = 0.0021053 k( 244) = ( 0.1250000 -0.0000000 0.5000000), wk = 0.0021053 k( 245) = ( 0.1319444 -0.0000000 0.5000000), wk = 0.0021053 k( 246) = ( 0.1388889 -0.0000000 0.5000000), wk = 0.0021053 k( 247) = ( 0.1458333 -0.0000000 0.5000000), wk = 0.0021053 k( 248) = ( 0.1527778 -0.0000000 0.5000000), wk = 0.0021053 k( 249) = ( 0.1597222 -0.0000000 0.5000000), wk = 0.0021053 k( 250) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0021053 k( 251) = ( 0.1736111 -0.0000000 0.5000000), wk = 0.0021053 k( 252) = ( 0.1805556 -0.0000000 0.5000000), wk = 0.0021053 k( 253) = ( 0.1875000 -0.0000000 0.5000000), wk = 0.0021053 k( 254) = ( 0.1944444 -0.0000000 0.5000000), wk = 0.0021053 k( 255) = ( 0.2013889 -0.0000000 0.5000000), wk = 0.0021053 k( 256) = ( 0.2083333 -0.0000000 0.5000000), wk = 0.0021053 k( 257) = ( 0.2152778 -0.0000000 0.5000000), wk = 0.0021053 k( 258) = ( 0.2222222 -0.0000000 0.5000000), wk = 0.0021053 k( 259) = ( 0.2291667 -0.0000000 0.5000000), wk = 0.0021053 k( 260) = ( 0.2361111 -0.0000000 0.5000000), wk = 0.0021053 k( 261) = ( 0.2430556 -0.0000000 0.5000000), wk = 0.0021053 k( 262) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0021053 k( 263) = ( 0.2569444 -0.0000000 0.5000000), wk = 0.0021053 k( 264) = ( 0.2638889 -0.0000000 0.5000000), wk = 0.0021053 k( 265) = ( 0.2708333 -0.0000000 0.5000000), wk = 0.0021053 k( 266) = ( 0.2777778 -0.0000000 0.5000000), wk = 0.0021053 k( 267) = ( 0.2847222 -0.0000000 0.5000000), wk = 0.0021053 k( 268) = ( 0.2916667 -0.0000000 0.5000000), wk = 0.0021053 k( 269) = ( 0.2986111 -0.0000000 0.5000000), wk = 0.0021053 k( 270) = ( 0.3055556 -0.0000000 0.5000000), wk = 0.0021053 k( 271) = ( 0.3125000 -0.0000000 0.5000000), wk = 0.0021053 k( 272) = ( 0.3194444 -0.0000000 0.5000000), wk = 0.0021053 k( 273) = ( 0.3263889 -0.0000000 0.5000000), wk = 0.0021053 k( 274) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0021053 k( 275) = ( 0.3402778 -0.0000000 0.5000000), wk = 0.0021053 k( 276) = ( 0.3472222 -0.0000000 0.5000000), wk = 0.0021053 k( 277) = ( 0.3541667 -0.0000000 0.5000000), wk = 0.0021053 k( 278) = ( 0.3611111 -0.0000000 0.5000000), wk = 0.0021053 k( 279) = ( 0.3680556 -0.0000000 0.5000000), wk = 0.0021053 k( 280) = ( 0.3750000 -0.0000000 0.5000000), wk = 0.0021053 k( 281) = ( 0.3819444 -0.0000000 0.5000000), wk = 0.0021053 k( 282) = ( 0.3888889 -0.0000000 0.5000000), wk = 0.0021053 k( 283) = ( 0.3958333 -0.0000000 0.5000000), wk = 0.0021053 k( 284) = ( 0.4027778 -0.0000000 0.5000000), wk = 0.0021053 k( 285) = ( 0.4097222 -0.0000000 0.5000000), wk = 0.0021053 k( 286) = ( 0.4166667 -0.0000000 0.5000000), wk = 0.0021053 k( 287) = ( 0.4236111 -0.0000000 0.5000000), wk = 0.0021053 k( 288) = ( 0.4305556 -0.0000000 0.5000000), wk = 0.0021053 k( 289) = ( 0.4375000 -0.0000000 0.5000000), wk = 0.0021053 k( 290) = ( 0.4444444 -0.0000000 0.5000000), wk = 0.0021053 k( 291) = ( 0.4513889 -0.0000000 0.5000000), wk = 0.0021053 k( 292) = ( 0.4583333 -0.0000000 0.5000000), wk = 0.0021053 k( 293) = ( 0.4652778 -0.0000000 0.5000000), wk = 0.0021053 k( 294) = ( 0.4722222 -0.0000000 0.5000000), wk = 0.0021053 k( 295) = ( 0.4791667 -0.0000000 0.5000000), wk = 0.0021053 k( 296) = ( 0.4861111 -0.0000000 0.5000000), wk = 0.0021053 k( 297) = ( 0.4930556 -0.0000000 0.5000000), wk = 0.0021053 k( 298) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0021053 k( 299) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0021053 k( 300) = ( 0.4960317 0.0079365 0.5000000), wk = 0.0021053 k( 301) = ( 0.4920635 0.0158730 0.5000000), wk = 0.0021053 k( 302) = ( 0.4880952 0.0238095 0.5000000), wk = 0.0021053 k( 303) = ( 0.4841270 0.0317460 0.5000000), wk = 0.0021053 k( 304) = ( 0.4801587 0.0396825 0.5000000), wk = 0.0021053 k( 305) = ( 0.4761905 0.0476190 0.5000000), wk = 0.0021053 k( 306) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0021053 k( 307) = ( 0.4682540 0.0634921 0.5000000), wk = 0.0021053 k( 308) = ( 0.4642857 0.0714286 0.5000000), wk = 0.0021053 k( 309) = ( 0.4603175 0.0793651 0.5000000), wk = 0.0021053 k( 310) = ( 0.4563492 0.0873016 0.5000000), wk = 0.0021053 k( 311) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0021053 k( 312) = ( 0.4484127 0.1031746 0.5000000), wk = 0.0021053 k( 313) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0021053 k( 314) = ( 0.4404762 0.1190476 0.5000000), wk = 0.0021053 k( 315) = ( 0.4365079 0.1269841 0.5000000), wk = 0.0021053 k( 316) = ( 0.4325397 0.1349206 0.5000000), wk = 0.0021053 k( 317) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0021053 k( 318) = ( 0.4246032 0.1507937 0.5000000), wk = 0.0021053 k( 319) = ( 0.4206349 0.1587302 0.5000000), wk = 0.0021053 k( 320) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0021053 k( 321) = ( 0.4126984 0.1746032 0.5000000), wk = 0.0021053 k( 322) = ( 0.4087302 0.1825397 0.5000000), wk = 0.0021053 k( 323) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0021053 k( 324) = ( 0.4007937 0.1984127 0.5000000), wk = 0.0021053 k( 325) = ( 0.3968254 0.2063492 0.5000000), wk = 0.0021053 k( 326) = ( 0.3928571 0.2142857 0.5000000), wk = 0.0021053 k( 327) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0021053 k( 328) = ( 0.3849206 0.2301587 0.5000000), wk = 0.0021053 k( 329) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0021053 k( 330) = ( 0.3769841 0.2460317 0.5000000), wk = 0.0021053 k( 331) = ( 0.3730159 0.2539682 0.5000000), wk = 0.0021053 k( 332) = ( 0.3690476 0.2619048 0.5000000), wk = 0.0021053 k( 333) = ( 0.3650794 0.2698413 0.5000000), wk = 0.0021053 k( 334) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0021053 k( 335) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0021053 k( 336) = ( 0.3531746 0.2936508 0.5000000), wk = 0.0021053 k( 337) = ( 0.3492063 0.3015873 0.5000000), wk = 0.0021053 k( 338) = ( 0.3452381 0.3095238 0.5000000), wk = 0.0021053 k( 339) = ( 0.3412698 0.3174603 0.5000000), wk = 0.0021053 k( 340) = ( 0.3373016 0.3253968 0.5000000), wk = 0.0021053 k( 341) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0021053 k( 342) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0021053 k( 343) = ( 0.3293173 0.3293173 0.5000000), wk = 0.0021053 k( 344) = ( 0.3253012 0.3253012 0.5000000), wk = 0.0021053 k( 345) = ( 0.3212851 0.3212851 0.5000000), wk = 0.0021053 k( 346) = ( 0.3172691 0.3172691 0.5000000), wk = 0.0021053 k( 347) = ( 0.3132530 0.3132530 0.5000000), wk = 0.0021053 k( 348) = ( 0.3092370 0.3092370 0.5000000), wk = 0.0021053 k( 349) = ( 0.3052209 0.3052209 0.5000000), wk = 0.0021053 k( 350) = ( 0.3012048 0.3012048 0.5000000), wk = 0.0021053 k( 351) = ( 0.2971888 0.2971888 0.5000000), wk = 0.0021053 k( 352) = ( 0.2931727 0.2931727 0.5000000), wk = 0.0021053 k( 353) = ( 0.2891566 0.2891566 0.5000000), wk = 0.0021053 k( 354) = ( 0.2851406 0.2851406 0.5000000), wk = 0.0021053 k( 355) = ( 0.2811245 0.2811245 0.5000000), wk = 0.0021053 k( 356) = ( 0.2771084 0.2771084 0.5000000), wk = 0.0021053 k( 357) = ( 0.2730924 0.2730924 0.5000000), wk = 0.0021053 k( 358) = ( 0.2690763 0.2690763 0.5000000), wk = 0.0021053 k( 359) = ( 0.2650602 0.2650602 0.5000000), wk = 0.0021053 k( 360) = ( 0.2610442 0.2610442 0.5000000), wk = 0.0021053 k( 361) = ( 0.2570281 0.2570281 0.5000000), wk = 0.0021053 k( 362) = ( 0.2530120 0.2530120 0.5000000), wk = 0.0021053 k( 363) = ( 0.2489960 0.2489960 0.5000000), wk = 0.0021053 k( 364) = ( 0.2449799 0.2449799 0.5000000), wk = 0.0021053 k( 365) = ( 0.2409639 0.2409639 0.5000000), wk = 0.0021053 k( 366) = ( 0.2369478 0.2369478 0.5000000), wk = 0.0021053 k( 367) = ( 0.2329317 0.2329317 0.5000000), wk = 0.0021053 k( 368) = ( 0.2289157 0.2289157 0.5000000), wk = 0.0021053 k( 369) = ( 0.2248996 0.2248996 0.5000000), wk = 0.0021053 k( 370) = ( 0.2208835 0.2208835 0.5000000), wk = 0.0021053 k( 371) = ( 0.2168675 0.2168675 0.5000000), wk = 0.0021053 k( 372) = ( 0.2128514 0.2128514 0.5000000), wk = 0.0021053 k( 373) = ( 0.2088353 0.2088353 0.5000000), wk = 0.0021053 k( 374) = ( 0.2048193 0.2048193 0.5000000), wk = 0.0021053 k( 375) = ( 0.2008032 0.2008032 0.5000000), wk = 0.0021053 k( 376) = ( 0.1967871 0.1967871 0.5000000), wk = 0.0021053 k( 377) = ( 0.1927711 0.1927711 0.5000000), wk = 0.0021053 k( 378) = ( 0.1887550 0.1887550 0.5000000), wk = 0.0021053 k( 379) = ( 0.1847390 0.1847390 0.5000000), wk = 0.0021053 k( 380) = ( 0.1807229 0.1807229 0.5000000), wk = 0.0021053 k( 381) = ( 0.1767068 0.1767068 0.5000000), wk = 0.0021053 k( 382) = ( 0.1726908 0.1726908 0.5000000), wk = 0.0021053 k( 383) = ( 0.1686747 0.1686747 0.5000000), wk = 0.0021053 k( 384) = ( 0.1646586 0.1646586 0.5000000), wk = 0.0021053 k( 385) = ( 0.1606426 0.1606426 0.5000000), wk = 0.0021053 k( 386) = ( 0.1566265 0.1566265 0.5000000), wk = 0.0021053 k( 387) = ( 0.1526104 0.1526104 0.5000000), wk = 0.0021053 k( 388) = ( 0.1485944 0.1485944 0.5000000), wk = 0.0021053 k( 389) = ( 0.1445783 0.1445783 0.5000000), wk = 0.0021053 k( 390) = ( 0.1405622 0.1405622 0.5000000), wk = 0.0021053 k( 391) = ( 0.1365462 0.1365462 0.5000000), wk = 0.0021053 k( 392) = ( 0.1325301 0.1325301 0.5000000), wk = 0.0021053 k( 393) = ( 0.1285141 0.1285141 0.5000000), wk = 0.0021053 k( 394) = ( 0.1244980 0.1244980 0.5000000), wk = 0.0021053 k( 395) = ( 0.1204819 0.1204819 0.5000000), wk = 0.0021053 k( 396) = ( 0.1164659 0.1164659 0.5000000), wk = 0.0021053 k( 397) = ( 0.1124498 0.1124498 0.5000000), wk = 0.0021053 k( 398) = ( 0.1084337 0.1084337 0.5000000), wk = 0.0021053 k( 399) = ( 0.1044177 0.1044177 0.5000000), wk = 0.0021053 k( 400) = ( 0.1004016 0.1004016 0.5000000), wk = 0.0021053 k( 401) = ( 0.0963855 0.0963855 0.5000000), wk = 0.0021053 k( 402) = ( 0.0923695 0.0923695 0.5000000), wk = 0.0021053 k( 403) = ( 0.0883534 0.0883534 0.5000000), wk = 0.0021053 k( 404) = ( 0.0843374 0.0843374 0.5000000), wk = 0.0021053 k( 405) = ( 0.0803213 0.0803213 0.5000000), wk = 0.0021053 k( 406) = ( 0.0763052 0.0763052 0.5000000), wk = 0.0021053 k( 407) = ( 0.0722892 0.0722892 0.5000000), wk = 0.0021053 k( 408) = ( 0.0682731 0.0682731 0.5000000), wk = 0.0021053 k( 409) = ( 0.0642570 0.0642570 0.5000000), wk = 0.0021053 k( 410) = ( 0.0602410 0.0602410 0.5000000), wk = 0.0021053 k( 411) = ( 0.0562249 0.0562249 0.5000000), wk = 0.0021053 k( 412) = ( 0.0522088 0.0522088 0.5000000), wk = 0.0021053 k( 413) = ( 0.0481928 0.0481928 0.5000000), wk = 0.0021053 k( 414) = ( 0.0441767 0.0441767 0.5000000), wk = 0.0021053 k( 415) = ( 0.0401606 0.0401606 0.5000000), wk = 0.0021053 k( 416) = ( 0.0361446 0.0361446 0.5000000), wk = 0.0021053 k( 417) = ( 0.0321285 0.0321285 0.5000000), wk = 0.0021053 k( 418) = ( 0.0281125 0.0281125 0.5000000), wk = 0.0021053 k( 419) = ( 0.0240964 0.0240964 0.5000000), wk = 0.0021053 k( 420) = ( 0.0200803 0.0200803 0.5000000), wk = 0.0021053 k( 421) = ( 0.0160643 0.0160643 0.5000000), wk = 0.0021053 k( 422) = ( 0.0120482 0.0120482 0.5000000), wk = 0.0021053 k( 423) = ( 0.0080321 0.0080321 0.5000000), wk = 0.0021053 k( 424) = ( 0.0040161 0.0040161 0.5000000), wk = 0.0021053 k( 425) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021053 k( 426) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0021053 k( 427) = ( 0.5000000 -0.0000000 0.4791667), wk = 0.0021053 k( 428) = ( 0.5000000 -0.0000000 0.4583333), wk = 0.0021053 k( 429) = ( 0.5000000 -0.0000000 0.4375000), wk = 0.0021053 k( 430) = ( 0.5000000 -0.0000000 0.4166667), wk = 0.0021053 k( 431) = ( 0.5000000 -0.0000000 0.3958333), wk = 0.0021053 k( 432) = ( 0.5000000 -0.0000000 0.3750000), wk = 0.0021053 k( 433) = ( 0.5000000 -0.0000000 0.3541667), wk = 0.0021053 k( 434) = ( 0.5000000 -0.0000000 0.3333333), wk = 0.0021053 k( 435) = ( 0.5000000 -0.0000000 0.3125000), wk = 0.0021053 k( 436) = ( 0.5000000 -0.0000000 0.2916667), wk = 0.0021053 k( 437) = ( 0.5000000 -0.0000000 0.2708333), wk = 0.0021053 k( 438) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0021053 k( 439) = ( 0.5000000 -0.0000000 0.2291667), wk = 0.0021053 k( 440) = ( 0.5000000 -0.0000000 0.2083333), wk = 0.0021053 k( 441) = ( 0.5000000 -0.0000000 0.1875000), wk = 0.0021053 k( 442) = ( 0.5000000 -0.0000000 0.1666667), wk = 0.0021053 k( 443) = ( 0.5000000 -0.0000000 0.1458333), wk = 0.0021053 k( 444) = ( 0.5000000 -0.0000000 0.1250000), wk = 0.0021053 k( 445) = ( 0.5000000 -0.0000000 0.1041667), wk = 0.0021053 k( 446) = ( 0.5000000 -0.0000000 0.0833333), wk = 0.0021053 k( 447) = ( 0.5000000 -0.0000000 0.0625000), wk = 0.0021053 k( 448) = ( 0.5000000 -0.0000000 0.0416667), wk = 0.0021053 k( 449) = ( 0.5000000 -0.0000000 0.0208333), wk = 0.0021053 k( 450) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0021053 k( 451) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0021053 k( 452) = ( 0.3333333 0.3333333 0.0208333), wk = 0.0021053 k( 453) = ( 0.3333333 0.3333333 0.0416667), wk = 0.0021053 k( 454) = ( 0.3333333 0.3333333 0.0625000), wk = 0.0021053 k( 455) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0021053 k( 456) = ( 0.3333333 0.3333333 0.1041667), wk = 0.0021053 k( 457) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0021053 k( 458) = ( 0.3333333 0.3333333 0.1458333), wk = 0.0021053 k( 459) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0021053 k( 460) = ( 0.3333333 0.3333333 0.1875000), wk = 0.0021053 k( 461) = ( 0.3333333 0.3333333 0.2083333), wk = 0.0021053 k( 462) = ( 0.3333333 0.3333333 0.2291667), wk = 0.0021053 k( 463) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0021053 k( 464) = ( 0.3333333 0.3333333 0.2708333), wk = 0.0021053 k( 465) = ( 0.3333333 0.3333333 0.2916667), wk = 0.0021053 k( 466) = ( 0.3333333 0.3333333 0.3125000), wk = 0.0021053 k( 467) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0021053 k( 468) = ( 0.3333333 0.3333333 0.3541667), wk = 0.0021053 k( 469) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0021053 k( 470) = ( 0.3333333 0.3333333 0.3958333), wk = 0.0021053 k( 471) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0021053 k( 472) = ( 0.3333333 0.3333333 0.4375000), wk = 0.0021053 k( 473) = ( 0.3333333 0.3333333 0.4583333), wk = 0.0021053 k( 474) = ( 0.3333333 0.3333333 0.4791667), wk = 0.0021053 k( 475) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0021053 Dense grid: 24617 G-vectors FFT dimensions: ( 27, 27, 72) Smooth grid: 9875 G-vectors FFT dimensions: ( 24, 24, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 84, 24) NL pseudopotentials 0.04 Mb ( 42, 56) Each V/rho on FFT grid 0.02 Mb ( 1458) Each G-vector array 0.01 Mb ( 684) G-vector shells 0.00 Mb ( 316) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.12 Mb ( 84, 96) Each subspace H/S matrix 0.01 Mb ( 24, 24) Each matrix 0.04 Mb ( 56, 2, 24) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./BN.save/charge-density.dat negative rho (up, down): 1.161E-04 0.000E+00 Starting wfc are 32 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.7 secs Computing kpt #: 2 total cpu time spent up to now is 2.9 secs Computing kpt #: 3 total cpu time spent up to now is 3.0 secs Computing kpt #: 4 total cpu time spent up to now is 3.1 secs Computing kpt #: 5 total cpu time spent up to now is 3.3 secs Computing kpt #: 6 total cpu time spent up to now is 3.4 secs Computing kpt #: 7 total cpu time spent up to now is 3.5 secs Computing kpt #: 8 total cpu time spent up to now is 3.7 secs Computing kpt #: 9 total cpu time spent up to now is 3.8 secs Computing kpt #: 10 total cpu time spent up to now is 3.9 secs Computing kpt #: 11 total cpu time spent up to now is 4.1 secs Computing kpt #: 12 total cpu time spent up to now is 4.2 secs Computing kpt #: 13 total cpu time spent up to now is 4.3 secs Computing kpt #: 14 total cpu time spent up to now is 4.4 secs Computing kpt #: 15 total cpu time spent up to now is 4.6 secs Computing kpt #: 16 total cpu time spent up to now is 4.7 secs Computing kpt #: 17 total cpu time spent up to now is 4.9 secs Computing kpt #: 18 total cpu time spent up to now is 5.0 secs Computing kpt #: 19 total cpu time spent up to now is 5.1 secs Computing kpt #: 20 total cpu time spent up to now is 5.3 secs Computing kpt #: 21 total cpu time spent up to now is 5.4 secs Computing kpt #: 22 total cpu time spent up to now is 5.5 secs Computing kpt #: 23 total cpu time spent up to now is 5.6 secs Computing kpt #: 24 total cpu time spent up to now is 5.7 secs Computing kpt #: 25 total cpu time spent up to now is 5.8 secs Computing kpt #: 26 total cpu time spent up to now is 5.9 secs Computing kpt #: 27 total cpu time spent up to now is 6.1 secs Computing kpt #: 28 total cpu time spent up to now is 6.2 secs Computing kpt #: 29 total cpu time spent up to now is 6.3 secs Computing kpt #: 30 total cpu time spent up to now is 6.4 secs Computing kpt #: 31 total cpu time spent up to now is 6.5 secs Computing kpt #: 32 total cpu time spent up to now is 6.6 secs Computing kpt #: 33 total cpu time spent up to now is 6.7 secs Computing kpt #: 34 total cpu time spent up to now is 6.8 secs Computing kpt #: 35 total cpu time spent up to now is 6.9 secs Computing kpt #: 36 total cpu time spent up to now is 7.0 secs Computing kpt #: 37 total cpu time spent up to now is 7.1 secs Computing kpt #: 38 total cpu time spent up to now is 7.2 secs Computing kpt #: 39 total cpu time spent up to now is 7.3 secs Computing kpt #: 40 total cpu time spent up to now is 7.4 secs Computing kpt #: 41 total cpu time spent up to now is 7.5 secs Computing kpt #: 42 total cpu time spent up to now is 7.6 secs Computing kpt #: 43 total cpu time spent up to now is 7.7 secs Computing kpt #: 44 total cpu time spent up to now is 7.7 secs Computing kpt #: 45 total cpu time spent up to now is 7.8 secs Computing kpt #: 46 total cpu time spent up to now is 7.9 secs Computing kpt #: 47 total cpu time spent up to now is 8.0 secs Computing kpt #: 48 total cpu time spent up to now is 8.1 secs Computing kpt #: 49 total cpu time spent up to now is 8.2 secs Computing kpt #: 50 total cpu time spent up to now is 8.3 secs Computing kpt #: 51 total cpu time spent up to now is 8.4 secs Computing kpt #: 52 total cpu time spent up to now is 8.5 secs Computing kpt #: 53 total cpu time spent up to now is 8.5 secs Computing kpt #: 54 total cpu time spent up to now is 8.6 secs Computing kpt #: 55 total cpu time spent up to now is 9.6 secs Computing kpt #: 56 total cpu time spent up to now is 9.7 secs Computing kpt #: 57 total cpu time spent up to now is 9.8 secs Computing kpt #: 58 total cpu time spent up to now is 9.9 secs Computing kpt #: 59 total cpu time spent up to now is 10.0 secs Computing kpt #: 60 total cpu time spent up to now is 10.0 secs Computing kpt #: 61 total cpu time spent up to now is 10.1 secs Computing kpt #: 62 total cpu time spent up to now is 10.2 secs Computing kpt #: 63 total cpu time spent up to now is 10.3 secs Computing kpt #: 64 total cpu time spent up to now is 10.4 secs Computing kpt #: 65 total cpu time spent up to now is 10.4 secs Computing kpt #: 66 total cpu time spent up to now is 10.5 secs Computing kpt #: 67 total cpu time spent up to now is 10.6 secs Computing kpt #: 68 total cpu time spent up to now is 10.7 secs Computing kpt #: 69 total cpu time spent up to now is 10.7 secs Computing kpt #: 70 total cpu time spent up to now is 10.8 secs Computing kpt #: 71 total cpu time spent up to now is 10.9 secs Computing kpt #: 72 total cpu time spent up to now is 11.0 secs Computing kpt #: 73 total cpu time spent up to now is 11.1 secs Computing kpt #: 74 total cpu time spent up to now is 11.1 secs Computing kpt #: 75 total cpu time spent up to now is 11.2 secs Computing kpt #: 76 total cpu time spent up to now is 11.3 secs Computing kpt #: 77 total cpu time spent up to now is 11.4 secs Computing kpt #: 78 total cpu time spent up to now is 11.5 secs Computing kpt #: 79 total cpu time spent up to now is 11.5 secs Computing kpt #: 80 total cpu time spent up to now is 11.6 secs Computing kpt #: 81 total cpu time spent up to now is 11.7 secs Computing kpt #: 82 total cpu time spent up to now is 11.8 secs Computing kpt #: 83 total cpu time spent up to now is 11.8 secs Computing kpt #: 84 total cpu time spent up to now is 11.9 secs Computing kpt #: 85 total cpu time spent up to now is 12.0 secs Computing kpt #: 86 total cpu time spent up to now is 12.1 secs Computing kpt #: 87 total cpu time spent up to now is 12.1 secs Computing kpt #: 88 total cpu time spent up to now is 12.2 secs Computing kpt #: 89 total cpu time spent up to now is 12.3 secs Computing kpt #: 90 total cpu time spent up to now is 12.4 secs Computing kpt #: 91 total cpu time spent up to now is 12.5 secs Computing kpt #: 92 total cpu time spent up to now is 12.5 secs Computing kpt #: 93 total cpu time spent up to now is 12.6 secs Computing kpt #: 94 total cpu time spent up to now is 12.7 secs Computing kpt #: 95 total cpu time spent up to now is 12.8 secs Computing kpt #: 96 total cpu time spent up to now is 12.9 secs Computing kpt #: 97 total cpu time spent up to now is 13.0 secs Computing kpt #: 98 total cpu time spent up to now is 13.0 secs Computing kpt #: 99 total cpu time spent up to now is 13.2 secs Computing kpt #: 100 total cpu time spent up to now is 13.3 secs Computing kpt #: 101 total cpu time spent up to now is 13.4 secs Computing kpt #: 102 total cpu time spent up to now is 13.5 secs Computing kpt #: 103 total cpu time spent up to now is 13.5 secs Computing kpt #: 104 total cpu time spent up to now is 13.6 secs Computing kpt #: 105 total cpu time spent up to now is 13.7 secs Computing kpt #: 106 total cpu time spent up to now is 13.8 secs Computing kpt #: 107 total cpu time spent up to now is 13.9 secs Computing kpt #: 108 total cpu time spent up to now is 14.0 secs Computing kpt #: 109 total cpu time spent up to now is 14.1 secs Computing kpt #: 110 total cpu time spent up to now is 14.2 secs Computing kpt #: 111 total cpu time spent up to now is 14.3 secs Computing kpt #: 112 total cpu time spent up to now is 14.4 secs Computing kpt #: 113 total cpu time spent up to now is 14.5 secs Computing kpt #: 114 total cpu time spent up to now is 14.5 secs Computing kpt #: 115 total cpu time spent up to now is 14.6 secs Computing kpt #: 116 total cpu time spent up to now is 14.7 secs Computing kpt #: 117 total cpu time spent up to now is 14.8 secs Computing kpt #: 118 total cpu time spent up to now is 14.9 secs Computing kpt #: 119 total cpu time spent up to now is 15.0 secs Computing kpt #: 120 total cpu time spent up to now is 15.1 secs Computing kpt #: 121 total cpu time spent up to now is 15.2 secs Computing kpt #: 122 total cpu time spent up to now is 15.3 secs Computing kpt #: 123 total cpu time spent up to now is 15.4 secs Computing kpt #: 124 total cpu time spent up to now is 15.5 secs Computing kpt #: 125 total cpu time spent up to now is 15.5 secs Computing kpt #: 126 total cpu time spent up to now is 15.6 secs Computing kpt #: 127 total cpu time spent up to now is 15.7 secs Computing kpt #: 128 total cpu time spent up to now is 15.8 secs Computing kpt #: 129 total cpu time spent up to now is 15.9 secs Computing kpt #: 130 total cpu time spent up to now is 16.0 secs Computing kpt #: 131 total cpu time spent up to now is 16.1 secs Computing kpt #: 132 total cpu time spent up to now is 16.2 secs Computing kpt #: 133 total cpu time spent up to now is 16.3 secs Computing kpt #: 134 total cpu time spent up to now is 16.4 secs Computing kpt #: 135 total cpu time spent up to now is 16.4 secs Computing kpt #: 136 total cpu time spent up to now is 16.5 secs Computing kpt #: 137 total cpu time spent up to now is 16.6 secs Computing kpt #: 138 total cpu time spent up to now is 16.7 secs Computing kpt #: 139 total cpu time spent up to now is 16.9 secs Computing kpt #: 140 total cpu time spent up to now is 17.0 secs Computing kpt #: 141 total cpu time spent up to now is 17.1 secs Computing kpt #: 142 total cpu time spent up to now is 17.3 secs Computing kpt #: 143 total cpu time spent up to now is 17.5 secs Computing kpt #: 144 total cpu time spent up to now is 17.7 secs Computing kpt #: 145 total cpu time spent up to now is 17.8 secs Computing kpt #: 146 total cpu time spent up to now is 17.9 secs Computing kpt #: 147 total cpu time spent up to now is 18.1 secs Computing kpt #: 148 total cpu time spent up to now is 18.2 secs Computing kpt #: 149 total cpu time spent up to now is 18.3 secs Computing kpt #: 150 total cpu time spent up to now is 18.4 secs Computing kpt #: 151 total cpu time spent up to now is 18.6 secs Computing kpt #: 152 total cpu time spent up to now is 18.7 secs Computing kpt #: 153 total cpu time spent up to now is 18.9 secs Computing kpt #: 154 total cpu time spent up to now is 19.0 secs Computing kpt #: 155 total cpu time spent up to now is 19.1 secs Computing kpt #: 156 total cpu time spent up to now is 19.3 secs Computing kpt #: 157 total cpu time spent up to now is 19.4 secs Computing kpt #: 158 total cpu time spent up to now is 19.6 secs Computing kpt #: 159 total cpu time spent up to now is 19.7 secs Computing kpt #: 160 total cpu time spent up to now is 19.8 secs Computing kpt #: 161 total cpu time spent up to now is 20.0 secs Computing kpt #: 162 total cpu time spent up to now is 20.1 secs Computing kpt #: 163 total cpu time spent up to now is 20.3 secs Computing kpt #: 164 total cpu time spent up to now is 20.4 secs Computing kpt #: 165 total cpu time spent up to now is 20.6 secs Computing kpt #: 166 total cpu time spent up to now is 20.7 secs Computing kpt #: 167 total cpu time spent up to now is 20.8 secs Computing kpt #: 168 total cpu time spent up to now is 21.0 secs Computing kpt #: 169 total cpu time spent up to now is 21.1 secs Computing kpt #: 170 total cpu time spent up to now is 21.2 secs Computing kpt #: 171 total cpu time spent up to now is 21.4 secs Computing kpt #: 172 total cpu time spent up to now is 21.5 secs Computing kpt #: 173 total cpu time spent up to now is 21.6 secs Computing kpt #: 174 total cpu time spent up to now is 21.7 secs Computing kpt #: 175 total cpu time spent up to now is 21.9 secs Computing kpt #: 176 total cpu time spent up to now is 22.0 secs Computing kpt #: 177 total cpu time spent up to now is 22.1 secs Computing kpt #: 178 total cpu time spent up to now is 22.2 secs Computing kpt #: 179 total cpu time spent up to now is 22.3 secs Computing kpt #: 180 total cpu time spent up to now is 22.4 secs Computing kpt #: 181 total cpu time spent up to now is 22.5 secs Computing kpt #: 182 total cpu time spent up to now is 22.7 secs Computing kpt #: 183 total cpu time spent up to now is 22.8 secs Computing kpt #: 184 total cpu time spent up to now is 22.9 secs Computing kpt #: 185 total cpu time spent up to now is 23.1 secs Computing kpt #: 186 total cpu time spent up to now is 23.2 secs Computing kpt #: 187 total cpu time spent up to now is 23.3 secs Computing kpt #: 188 total cpu time spent up to now is 23.4 secs Computing kpt #: 189 total cpu time spent up to now is 23.5 secs Computing kpt #: 190 total cpu time spent up to now is 23.6 secs Computing kpt #: 191 total cpu time spent up to now is 23.8 secs Computing kpt #: 192 total cpu time spent up to now is 23.9 secs Computing kpt #: 193 total cpu time spent up to now is 24.0 secs Computing kpt #: 194 total cpu time spent up to now is 24.2 secs Computing kpt #: 195 total cpu time spent up to now is 24.3 secs Computing kpt #: 196 total cpu time spent up to now is 24.5 secs Computing kpt #: 197 total cpu time spent up to now is 24.6 secs Computing kpt #: 198 total cpu time spent up to now is 24.7 secs Computing kpt #: 199 total cpu time spent up to now is 24.8 secs Computing kpt #: 200 total cpu time spent up to now is 25.0 secs Computing kpt #: 201 total cpu time spent up to now is 25.1 secs Computing kpt #: 202 total cpu time spent up to now is 25.2 secs Computing kpt #: 203 total cpu time spent up to now is 25.3 secs Computing kpt #: 204 total cpu time spent up to now is 25.4 secs Computing kpt #: 205 total cpu time spent up to now is 25.6 secs Computing kpt #: 206 total cpu time spent up to now is 25.7 secs Computing kpt #: 207 total cpu time spent up to now is 25.8 secs Computing kpt #: 208 total cpu time spent up to now is 25.9 secs Computing kpt #: 209 total cpu time spent up to now is 26.1 secs Computing kpt #: 210 total cpu time spent up to now is 26.2 secs Computing kpt #: 211 total cpu time spent up to now is 26.3 secs Computing kpt #: 212 total cpu time spent up to now is 26.4 secs Computing kpt #: 213 total cpu time spent up to now is 26.6 secs Computing kpt #: 214 total cpu time spent up to now is 26.7 secs Computing kpt #: 215 total cpu time spent up to now is 26.8 secs Computing kpt #: 216 total cpu time spent up to now is 26.9 secs Computing kpt #: 217 total cpu time spent up to now is 27.0 secs Computing kpt #: 218 total cpu time spent up to now is 27.2 secs Computing kpt #: 219 total cpu time spent up to now is 27.3 secs Computing kpt #: 220 total cpu time spent up to now is 27.4 secs Computing kpt #: 221 total cpu time spent up to now is 27.6 secs Computing kpt #: 222 total cpu time spent up to now is 27.7 secs Computing kpt #: 223 total cpu time spent up to now is 27.8 secs Computing kpt #: 224 total cpu time spent up to now is 27.9 secs Computing kpt #: 225 total cpu time spent up to now is 28.1 secs Computing kpt #: 226 total cpu time spent up to now is 28.2 secs Computing kpt #: 227 total cpu time spent up to now is 28.3 secs Computing kpt #: 228 total cpu time spent up to now is 28.4 secs Computing kpt #: 229 total cpu time spent up to now is 28.6 secs Computing kpt #: 230 total cpu time spent up to now is 28.7 secs Computing kpt #: 231 total cpu time spent up to now is 28.8 secs Computing kpt #: 232 total cpu time spent up to now is 28.9 secs Computing kpt #: 233 total cpu time spent up to now is 29.1 secs Computing kpt #: 234 total cpu time spent up to now is 29.2 secs Computing kpt #: 235 total cpu time spent up to now is 29.3 secs Computing kpt #: 236 total cpu time spent up to now is 29.4 secs Computing kpt #: 237 total cpu time spent up to now is 29.5 secs Computing kpt #: 238 total cpu time spent up to now is 29.6 secs Computing kpt #: 239 total cpu time spent up to now is 29.7 secs Computing kpt #: 240 total cpu time spent up to now is 29.9 secs Computing kpt #: 241 total cpu time spent up to now is 30.0 secs Computing kpt #: 242 total cpu time spent up to now is 30.1 secs Computing kpt #: 243 total cpu time spent up to now is 30.2 secs Computing kpt #: 244 total cpu time spent up to now is 30.3 secs Computing kpt #: 245 total cpu time spent up to now is 30.4 secs Computing kpt #: 246 total cpu time spent up to now is 30.5 secs Computing kpt #: 247 total cpu time spent up to now is 30.6 secs Computing kpt #: 248 total cpu time spent up to now is 30.7 secs Computing kpt #: 249 total cpu time spent up to now is 30.8 secs Computing kpt #: 250 total cpu time spent up to now is 30.9 secs Computing kpt #: 251 total cpu time spent up to now is 31.0 secs Computing kpt #: 252 total cpu time spent up to now is 31.1 secs Computing kpt #: 253 total cpu time spent up to now is 31.2 secs Computing kpt #: 254 total cpu time spent up to now is 31.3 secs Computing kpt #: 255 total cpu time spent up to now is 31.4 secs Computing kpt #: 256 total cpu time spent up to now is 31.5 secs Computing kpt #: 257 total cpu time spent up to now is 31.6 secs Computing kpt #: 258 total cpu time spent up to now is 31.7 secs Computing kpt #: 259 total cpu time spent up to now is 31.8 secs Computing kpt #: 260 total cpu time spent up to now is 31.9 secs Computing kpt #: 261 total cpu time spent up to now is 32.0 secs Computing kpt #: 262 total cpu time spent up to now is 32.1 secs Computing kpt #: 263 total cpu time spent up to now is 32.2 secs Computing kpt #: 264 total cpu time spent up to now is 32.3 secs Computing kpt #: 265 total cpu time spent up to now is 32.4 secs Computing kpt #: 266 total cpu time spent up to now is 32.5 secs Computing kpt #: 267 total cpu time spent up to now is 32.6 secs Computing kpt #: 268 total cpu time spent up to now is 32.6 secs Computing kpt #: 269 total cpu time spent up to now is 32.7 secs Computing kpt #: 270 total cpu time spent up to now is 32.8 secs Computing kpt #: 271 total cpu time spent up to now is 32.9 secs Computing kpt #: 272 total cpu time spent up to now is 33.0 secs Computing kpt #: 273 total cpu time spent up to now is 33.0 secs Computing kpt #: 274 total cpu time spent up to now is 33.1 secs Computing kpt #: 275 total cpu time spent up to now is 33.2 secs Computing kpt #: 276 total cpu time spent up to now is 33.3 secs Computing kpt #: 277 total cpu time spent up to now is 33.4 secs Computing kpt #: 278 total cpu time spent up to now is 33.4 secs Computing kpt #: 279 total cpu time spent up to now is 33.5 secs Computing kpt #: 280 total cpu time spent up to now is 33.6 secs Computing kpt #: 281 total cpu time spent up to now is 33.7 secs Computing kpt #: 282 total cpu time spent up to now is 33.7 secs Computing kpt #: 283 total cpu time spent up to now is 33.8 secs Computing kpt #: 284 total cpu time spent up to now is 33.9 secs Computing kpt #: 285 total cpu time spent up to now is 34.0 secs Computing kpt #: 286 total cpu time spent up to now is 34.1 secs Computing kpt #: 287 total cpu time spent up to now is 34.1 secs Computing kpt #: 288 total cpu time spent up to now is 34.2 secs Computing kpt #: 289 total cpu time spent up to now is 34.3 secs Computing kpt #: 290 total cpu time spent up to now is 34.4 secs Computing kpt #: 291 total cpu time spent up to now is 34.4 secs Computing kpt #: 292 total cpu time spent up to now is 34.5 secs Computing kpt #: 293 total cpu time spent up to now is 34.6 secs Computing kpt #: 294 total cpu time spent up to now is 34.7 secs Computing kpt #: 295 total cpu time spent up to now is 34.7 secs Computing kpt #: 296 total cpu time spent up to now is 34.8 secs Computing kpt #: 297 total cpu time spent up to now is 34.9 secs Computing kpt #: 298 total cpu time spent up to now is 35.0 secs Computing kpt #: 299 total cpu time spent up to now is 35.1 secs Computing kpt #: 300 total cpu time spent up to now is 35.1 secs Computing kpt #: 301 total cpu time spent up to now is 35.2 secs Computing kpt #: 302 total cpu time spent up to now is 35.3 secs Computing kpt #: 303 total cpu time spent up to now is 35.4 secs Computing kpt #: 304 total cpu time spent up to now is 35.4 secs Computing kpt #: 305 total cpu time spent up to now is 35.5 secs Computing kpt #: 306 total cpu time spent up to now is 35.6 secs Computing kpt #: 307 total cpu time spent up to now is 35.7 secs Computing kpt #: 308 total cpu time spent up to now is 35.7 secs Computing kpt #: 309 total cpu time spent up to now is 35.8 secs Computing kpt #: 310 total cpu time spent up to now is 35.9 secs Computing kpt #: 311 total cpu time spent up to now is 36.0 secs Computing kpt #: 312 total cpu time spent up to now is 36.1 secs Computing kpt #: 313 total cpu time spent up to now is 36.1 secs Computing kpt #: 314 total cpu time spent up to now is 36.2 secs Computing kpt #: 315 total cpu time spent up to now is 36.3 secs Computing kpt #: 316 total cpu time spent up to now is 36.4 secs Computing kpt #: 317 total cpu time spent up to now is 36.5 secs Computing kpt #: 318 total cpu time spent up to now is 36.6 secs Computing kpt #: 319 total cpu time spent up to now is 36.6 secs Computing kpt #: 320 total cpu time spent up to now is 36.7 secs Computing kpt #: 321 total cpu time spent up to now is 36.8 secs Computing kpt #: 322 total cpu time spent up to now is 36.9 secs Computing kpt #: 323 total cpu time spent up to now is 37.0 secs Computing kpt #: 324 total cpu time spent up to now is 37.1 secs Computing kpt #: 325 total cpu time spent up to now is 37.2 secs Computing kpt #: 326 total cpu time spent up to now is 37.3 secs Computing kpt #: 327 total cpu time spent up to now is 37.4 secs Computing kpt #: 328 total cpu time spent up to now is 37.6 secs Computing kpt #: 329 total cpu time spent up to now is 37.7 secs Computing kpt #: 330 total cpu time spent up to now is 37.8 secs Computing kpt #: 331 total cpu time spent up to now is 37.9 secs Computing kpt #: 332 total cpu time spent up to now is 38.0 secs Computing kpt #: 333 total cpu time spent up to now is 38.1 secs Computing kpt #: 334 total cpu time spent up to now is 38.2 secs Computing kpt #: 335 total cpu time spent up to now is 38.3 secs Computing kpt #: 336 total cpu time spent up to now is 38.4 secs Computing kpt #: 337 total cpu time spent up to now is 38.6 secs Computing kpt #: 338 total cpu time spent up to now is 38.7 secs Computing kpt #: 339 total cpu time spent up to now is 38.7 secs Computing kpt #: 340 total cpu time spent up to now is 38.8 secs Computing kpt #: 341 total cpu time spent up to now is 38.9 secs Computing kpt #: 342 total cpu time spent up to now is 39.0 secs Computing kpt #: 343 total cpu time spent up to now is 39.1 secs Computing kpt #: 344 total cpu time spent up to now is 39.2 secs Computing kpt #: 345 total cpu time spent up to now is 39.3 secs Computing kpt #: 346 total cpu time spent up to now is 39.4 secs Computing kpt #: 347 total cpu time spent up to now is 39.5 secs Computing kpt #: 348 total cpu time spent up to now is 39.6 secs Computing kpt #: 349 total cpu time spent up to now is 39.7 secs Computing kpt #: 350 total cpu time spent up to now is 39.8 secs Computing kpt #: 351 total cpu time spent up to now is 39.9 secs Computing kpt #: 352 total cpu time spent up to now is 40.1 secs Computing kpt #: 353 total cpu time spent up to now is 40.2 secs Computing kpt #: 354 total cpu time spent up to now is 40.3 secs Computing kpt #: 355 total cpu time spent up to now is 40.4 secs Computing kpt #: 356 total cpu time spent up to now is 40.5 secs Computing kpt #: 357 total cpu time spent up to now is 40.6 secs Computing kpt #: 358 total cpu time spent up to now is 40.7 secs Computing kpt #: 359 total cpu time spent up to now is 40.8 secs Computing kpt #: 360 total cpu time spent up to now is 40.9 secs Computing kpt #: 361 total cpu time spent up to now is 41.0 secs Computing kpt #: 362 total cpu time spent up to now is 41.1 secs Computing kpt #: 363 total cpu time spent up to now is 41.2 secs Computing kpt #: 364 total cpu time spent up to now is 41.3 secs Computing kpt #: 365 total cpu time spent up to now is 41.4 secs Computing kpt #: 366 total cpu time spent up to now is 41.5 secs Computing kpt #: 367 total cpu time spent up to now is 41.6 secs Computing kpt #: 368 total cpu time spent up to now is 41.7 secs Computing kpt #: 369 total cpu time spent up to now is 41.8 secs Computing kpt #: 370 total cpu time spent up to now is 41.9 secs Computing kpt #: 371 total cpu time spent up to now is 42.0 secs Computing kpt #: 372 total cpu time spent up to now is 42.1 secs Computing kpt #: 373 total cpu time spent up to now is 42.2 secs Computing kpt #: 374 total cpu time spent up to now is 42.2 secs Computing kpt #: 375 total cpu time spent up to now is 42.3 secs Computing kpt #: 376 total cpu time spent up to now is 42.4 secs Computing kpt #: 377 total cpu time spent up to now is 42.5 secs Computing kpt #: 378 total cpu time spent up to now is 42.6 secs Computing kpt #: 379 total cpu time spent up to now is 42.7 secs Computing kpt #: 380 total cpu time spent up to now is 42.8 secs Computing kpt #: 381 total cpu time spent up to now is 42.9 secs Computing kpt #: 382 total cpu time spent up to now is 43.0 secs Computing kpt #: 383 total cpu time spent up to now is 43.1 secs Computing kpt #: 384 total cpu time spent up to now is 43.2 secs Computing kpt #: 385 total cpu time spent up to now is 43.3 secs Computing kpt #: 386 total cpu time spent up to now is 43.4 secs Computing kpt #: 387 total cpu time spent up to now is 43.5 secs Computing kpt #: 388 total cpu time spent up to now is 43.6 secs Computing kpt #: 389 total cpu time spent up to now is 43.7 secs Computing kpt #: 390 total cpu time spent up to now is 43.8 secs Computing kpt #: 391 total cpu time spent up to now is 43.9 secs Computing kpt #: 392 total cpu time spent up to now is 44.0 secs Computing kpt #: 393 total cpu time spent up to now is 44.1 secs Computing kpt #: 394 total cpu time spent up to now is 44.2 secs Computing kpt #: 395 total cpu time spent up to now is 44.3 secs Computing kpt #: 396 total cpu time spent up to now is 44.4 secs Computing kpt #: 397 total cpu time spent up to now is 44.5 secs Computing kpt #: 398 total cpu time spent up to now is 44.6 secs Computing kpt #: 399 total cpu time spent up to now is 44.7 secs Computing kpt #: 400 total cpu time spent up to now is 44.9 secs Computing kpt #: 401 total cpu time spent up to now is 45.0 secs Computing kpt #: 402 total cpu time spent up to now is 45.1 secs Computing kpt #: 403 total cpu time spent up to now is 45.2 secs Computing kpt #: 404 total cpu time spent up to now is 45.3 secs Computing kpt #: 405 total cpu time spent up to now is 45.4 secs Computing kpt #: 406 total cpu time spent up to now is 45.6 secs Computing kpt #: 407 total cpu time spent up to now is 45.7 secs Computing kpt #: 408 total cpu time spent up to now is 45.8 secs Computing kpt #: 409 total cpu time spent up to now is 45.9 secs Computing kpt #: 410 total cpu time spent up to now is 46.0 secs Computing kpt #: 411 total cpu time spent up to now is 46.1 secs Computing kpt #: 412 total cpu time spent up to now is 46.3 secs Computing kpt #: 413 total cpu time spent up to now is 46.4 secs Computing kpt #: 414 total cpu time spent up to now is 46.5 secs Computing kpt #: 415 total cpu time spent up to now is 46.6 secs Computing kpt #: 416 total cpu time spent up to now is 46.7 secs Computing kpt #: 417 total cpu time spent up to now is 46.9 secs Computing kpt #: 418 total cpu time spent up to now is 47.0 secs Computing kpt #: 419 total cpu time spent up to now is 47.1 secs Computing kpt #: 420 total cpu time spent up to now is 47.2 secs Computing kpt #: 421 total cpu time spent up to now is 47.3 secs Computing kpt #: 422 total cpu time spent up to now is 47.4 secs Computing kpt #: 423 total cpu time spent up to now is 47.6 secs Computing kpt #: 424 total cpu time spent up to now is 47.7 secs Computing kpt #: 425 total cpu time spent up to now is 47.8 secs Computing kpt #: 426 total cpu time spent up to now is 47.9 secs Computing kpt #: 427 total cpu time spent up to now is 48.0 secs Computing kpt #: 428 total cpu time spent up to now is 48.1 secs Computing kpt #: 429 total cpu time spent up to now is 48.1 secs Computing kpt #: 430 total cpu time spent up to now is 48.2 secs Computing kpt #: 431 total cpu time spent up to now is 48.3 secs Computing kpt #: 432 total cpu time spent up to now is 48.4 secs Computing kpt #: 433 total cpu time spent up to now is 48.5 secs Computing kpt #: 434 total cpu time spent up to now is 48.5 secs Computing kpt #: 435 total cpu time spent up to now is 48.6 secs Computing kpt #: 436 total cpu time spent up to now is 48.7 secs Computing kpt #: 437 total cpu time spent up to now is 48.8 secs Computing kpt #: 438 total cpu time spent up to now is 48.9 secs Computing kpt #: 439 total cpu time spent up to now is 48.9 secs Computing kpt #: 440 total cpu time spent up to now is 49.0 secs Computing kpt #: 441 total cpu time spent up to now is 49.1 secs Computing kpt #: 442 total cpu time spent up to now is 49.2 secs Computing kpt #: 443 total cpu time spent up to now is 49.2 secs Computing kpt #: 444 total cpu time spent up to now is 49.3 secs Computing kpt #: 445 total cpu time spent up to now is 49.4 secs Computing kpt #: 446 total cpu time spent up to now is 49.5 secs Computing kpt #: 447 total cpu time spent up to now is 49.6 secs Computing kpt #: 448 total cpu time spent up to now is 49.6 secs Computing kpt #: 449 total cpu time spent up to now is 49.7 secs Computing kpt #: 450 total cpu time spent up to now is 49.8 secs Computing kpt #: 451 total cpu time spent up to now is 49.9 secs Computing kpt #: 452 total cpu time spent up to now is 50.0 secs Computing kpt #: 453 total cpu time spent up to now is 50.1 secs Computing kpt #: 454 total cpu time spent up to now is 50.2 secs Computing kpt #: 455 total cpu time spent up to now is 50.3 secs Computing kpt #: 456 total cpu time spent up to now is 50.3 secs Computing kpt #: 457 total cpu time spent up to now is 50.4 secs Computing kpt #: 458 total cpu time spent up to now is 50.5 secs Computing kpt #: 459 total cpu time spent up to now is 50.6 secs Computing kpt #: 460 total cpu time spent up to now is 50.7 secs Computing kpt #: 461 total cpu time spent up to now is 50.8 secs Computing kpt #: 462 total cpu time spent up to now is 50.9 secs Computing kpt #: 463 total cpu time spent up to now is 51.1 secs Computing kpt #: 464 total cpu time spent up to now is 51.2 secs Computing kpt #: 465 total cpu time spent up to now is 51.3 secs Computing kpt #: 466 total cpu time spent up to now is 51.5 secs Computing kpt #: 467 total cpu time spent up to now is 51.6 secs Computing kpt #: 468 total cpu time spent up to now is 51.7 secs Computing kpt #: 469 total cpu time spent up to now is 51.8 secs Computing kpt #: 470 total cpu time spent up to now is 51.9 secs Computing kpt #: 471 total cpu time spent up to now is 52.0 secs Computing kpt #: 472 total cpu time spent up to now is 52.1 secs Computing kpt #: 473 total cpu time spent up to now is 52.2 secs Computing kpt #: 474 total cpu time spent up to now is 52.3 secs Computing kpt #: 475 total cpu time spent up to now is 52.4 secs ethr = 6.25E-08, avg # of iterations = 16.5 total cpu time spent up to now is 52.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1215 PWs) bands (ev): -13.0104 -13.0104 -12.6970 -12.6970 -1.4814 -1.4814 0.7431 0.7431 3.1736 3.1736 3.1864 3.1864 3.2162 3.2162 3.2291 3.2291 9.8476 9.8476 14.7769 14.7769 15.8448 15.8448 15.8509 15.8509 k = 0.0069 0.0040-0.0000 ( 1215 PWs) bands (ev): -13.0095 -13.0095 -12.6961 -12.6961 -1.4801 -1.4801 0.7442 0.7442 3.1706 3.1706 3.1836 3.1836 3.2131 3.2131 3.2262 3.2262 9.8494 9.8494 14.7761 14.7761 15.8456 15.8456 15.8534 15.8534 k = 0.0139 0.0080-0.0000 ( 1215 PWs) bands (ev): -13.0067 -13.0067 -12.6935 -12.6935 -1.4764 -1.4764 0.7476 0.7476 3.1606 3.1606 3.1760 3.1760 3.2030 3.2030 3.2187 3.2187 9.8549 9.8549 14.7739 14.7739 15.8440 15.8440 15.8646 15.8646 k = 0.0208 0.0120-0.0000 ( 1211 PWs) bands (ev): -13.0021 -13.0021 -12.6891 -12.6891 -1.4701 -1.4701 0.7532 0.7532 3.1421 3.1421 3.1653 3.1653 3.1843 3.1843 3.2083 3.2083 9.8641 9.8641 14.7701 14.7701 15.8393 15.8393 15.8847 15.8847 k = 0.0278 0.0160-0.0000 ( 1211 PWs) bands (ev): -12.9957 -12.9957 -12.6829 -12.6829 -1.4613 -1.4613 0.7610 0.7610 3.1148 3.1148 3.1516 3.1516 3.1571 3.1571 3.1950 3.1950 9.8768 9.8768 14.7647 14.7647 15.8308 15.8308 15.9130 15.9130 k = 0.0347 0.0200-0.0000 ( 1209 PWs) bands (ev): -12.9875 -12.9875 -12.6749 -12.6749 -1.4499 -1.4499 0.7711 0.7711 3.0796 3.0796 3.1211 3.1211 3.1351 3.1351 3.1786 3.1786 9.8931 9.8931 14.7578 14.7578 15.8177 15.8177 15.9163 15.9164 k = 0.0417 0.0241-0.0000 ( 1207 PWs) bands (ev): -12.9774 -12.9774 -12.6652 -12.6652 -1.4361 -1.4361 0.7834 0.7834 3.0366 3.0366 3.0776 3.0776 3.1150 3.1150 3.1590 3.1590 9.9128 9.9128 14.7493 14.7493 15.7996 15.7996 15.9064 15.9064 k = 0.0486 0.0281-0.0000 ( 1207 PWs) bands (ev): -12.9655 -12.9655 -12.6538 -12.6538 -1.4197 -1.4197 0.7980 0.7980 2.9860 2.9860 3.0265 3.0265 3.0917 3.0917 3.1361 3.1361 9.9359 9.9359 14.7390 14.7390 15.7775 15.7775 15.8994 15.8994 k = 0.0556 0.0321-0.0000 ( 1207 PWs) bands (ev): -12.9518 -12.9518 -12.6405 -12.6405 -1.4009 -1.4009 0.8147 0.8147 2.9281 2.9281 2.9681 2.9681 3.0651 3.0651 3.1100 3.1100 9.9622 9.9622 14.7270 14.7270 15.7521 15.7521 15.8941 15.8941 k = 0.0625 0.0361-0.0000 ( 1205 PWs) bands (ev): -12.9363 -12.9363 -12.6256 -12.6256 -1.3795 -1.3795 0.8337 0.8337 2.8633 2.8633 2.9028 2.9028 3.0354 3.0354 3.0809 3.0809 9.9917 9.9917 14.7132 14.7132 15.7245 15.7245 15.8899 15.8899 k = 0.0694 0.0401-0.0000 ( 1205 PWs) bands (ev): -12.9189 -12.9189 -12.6089 -12.6089 -1.3557 -1.3557 0.8549 0.8549 2.7916 2.7916 2.8307 2.8307 3.0028 3.0028 3.0489 3.0489 10.0243 10.0243 14.6974 14.6974 15.6951 15.6951 15.8859 15.8859 k = 0.0764 0.0441-0.0000 ( 1205 PWs) bands (ev): -12.8998 -12.8998 -12.5904 -12.5904 -1.3294 -1.3294 0.8783 0.8783 2.7134 2.7134 2.7521 2.7521 2.9673 2.9673 3.0140 3.0140 10.0598 10.0598 14.6797 14.6797 15.6643 15.6643 15.8820 15.8820 k = 0.0833 0.0481-0.0000 ( 1201 PWs) bands (ev): -12.8788 -12.8788 -12.5703 -12.5703 -1.3005 -1.3005 0.9040 0.9040 2.6289 2.6289 2.6675 2.6675 2.9290 2.9290 2.9764 2.9764 10.0981 10.0981 14.6598 14.6598 15.6324 15.6324 15.8777 15.8777 k = 0.0903 0.0521-0.0000 ( 1201 PWs) bands (ev): -12.8561 -12.8561 -12.5484 -12.5484 -1.2693 -1.2693 0.9317 0.9317 2.5386 2.5386 2.5770 2.5770 2.8882 2.8882 2.9363 2.9363 10.1391 10.1391 14.6377 14.6377 15.5994 15.5994 15.8731 15.8731 k = 0.0972 0.0561-0.0000 ( 1207 PWs) bands (ev): -12.8316 -12.8316 -12.5248 -12.5248 -1.2355 -1.2355 0.9616 0.9616 2.4424 2.4424 2.4807 2.4807 2.8450 2.8450 2.8938 2.8938 10.1827 10.1827 14.6132 14.6132 15.5655 15.5655 15.8680 15.8680 k = 0.1042 0.0601-0.0000 ( 1207 PWs) bands (ev): -12.8054 -12.8054 -12.4995 -12.4995 -1.1993 -1.1993 0.9936 0.9936 2.3410 2.3410 2.3795 2.3795 2.7996 2.7996 2.8491 2.8491 10.2288 10.2288 14.5862 14.5862 15.5308 15.5308 15.8625 15.8625 k = 0.1111 0.0642-0.0000 ( 1211 PWs) bands (ev): -12.7774 -12.7774 -12.4726 -12.4726 -1.1606 -1.1606 1.0278 1.0278 2.2345 2.2345 2.2733 2.2733 2.7521 2.7521 2.8023 2.8023 10.2772 10.2772 14.5567 14.5567 15.4955 15.4955 15.8565 15.8565 k = 0.1181 0.0682-0.0000 ( 1203 PWs) bands (ev): -12.7476 -12.7476 -12.4439 -12.4439 -1.1195 -1.1195 1.0641 1.0641 2.1233 2.1233 2.1627 2.1627 2.7027 2.7027 2.7537 2.7537 10.3280 10.3280 14.5244 14.5244 15.4596 15.4596 15.8501 15.8501 k = 0.1250 0.0722-0.0000 ( 1207 PWs) bands (ev): -12.7161 -12.7161 -12.4136 -12.4136 -1.0760 -1.0760 1.1025 1.1025 2.0076 2.0076 2.0476 2.0476 2.6516 2.6516 2.7034 2.7034 10.3810 10.3810 14.4891 14.4891 15.4231 15.4231 15.8432 15.8432 k = 0.1319 0.0762-0.0000 ( 1203 PWs) bands (ev): -12.6829 -12.6829 -12.3816 -12.3816 -1.0301 -1.0301 1.1430 1.1430 1.8878 1.8878 1.9286 1.9286 2.5989 2.5989 2.6515 2.6515 10.4361 10.4361 14.4509 14.4509 15.3862 15.3862 15.8360 15.8360 k = 0.1389 0.0802-0.0000 ( 1203 PWs) bands (ev): -12.6479 -12.6479 -12.3480 -12.3480 -0.9818 -0.9818 1.1855 1.1855 1.7642 1.7642 1.8059 1.8059 2.5448 2.5448 2.5982 2.5982 10.4932 10.4932 14.4095 14.4095 15.3490 15.3490 15.8284 15.8284 k = 0.1458 0.0842-0.0000 ( 1203 PWs) bands (ev): -12.6113 -12.6113 -12.3128 -12.3128 -0.9310 -0.9310 1.2301 1.2301 1.6370 1.6370 1.6797 1.6797 2.4895 2.4895 2.5436 2.5436 10.5523 10.5523 14.3648 14.3648 15.3115 15.3115 15.7290 15.7290 k = 0.1528 0.0882-0.0000 ( 1205 PWs) bands (ev): -12.5730 -12.5730 -12.2760 -12.2760 -0.8780 -0.8780 1.2766 1.2766 1.5065 1.5065 1.5505 1.5505 2.4331 2.4331 2.4879 2.4879 10.6133 10.6133 14.3166 14.3166 15.2738 15.2738 15.6031 15.6031 k = 0.1597 0.0922-0.0000 ( 1201 PWs) bands (ev): -12.5331 -12.5331 -12.2376 -12.2376 -0.8225 -0.8225 1.3250 1.3250 1.3732 1.3732 1.4184 1.4184 2.3757 2.3757 2.4314 2.4314 10.6762 10.6762 14.2648 14.2648 15.2359 15.2359 15.4735 15.4735 k = 0.1667 0.0962-0.0000 ( 1201 PWs) bands (ev): -12.4915 -12.4915 -12.1977 -12.1977 -0.7648 -0.7648 1.2369 1.2369 1.2834 1.2834 1.3759 1.3759 2.3176 2.3176 2.3740 2.3740 10.7408 10.7408 14.2091 14.2091 15.1981 15.1981 15.3403 15.3403 k = 0.1736 0.1002-0.0000 ( 1201 PWs) bands (ev): -12.4483 -12.4483 -12.1562 -12.1562 -0.7047 -0.7047 1.0982 1.0982 1.1464 1.1464 1.4282 1.4282 2.2589 2.2589 2.3160 2.3160 10.8072 10.8072 14.1495 14.1495 15.1602 15.1602 15.2037 15.2037 k = 0.1806 0.1042-0.0000 ( 1205 PWs) bands (ev): -12.4036 -12.4036 -12.1133 -12.1133 -0.6423 -0.6423 0.9573 0.9573 1.0071 1.0071 1.4825 1.4825 2.1996 2.1996 2.2575 2.2575 10.8752 10.8752 14.0856 14.0856 15.0641 15.0641 15.1223 15.1223 k = 0.1875 0.1083-0.0000 ( 1203 PWs) bands (ev): -12.3572 -12.3572 -12.0688 -12.0688 -0.5777 -0.5777 0.8145 0.8145 0.8661 0.8661 1.5387 1.5387 2.1400 2.1400 2.1986 2.1986 10.9448 10.9448 14.0175 14.0175 14.9219 14.9219 15.0847 15.0847 k = 0.1944 0.1123-0.0000 ( 1203 PWs) bands (ev): -12.3094 -12.3094 -12.0229 -12.0229 -0.5108 -0.5108 0.6699 0.6699 0.7233 0.7233 1.5967 1.5967 2.0803 2.0803 2.1395 2.1395 11.0160 11.0160 13.9448 13.9448 14.7774 14.7774 15.0472 15.0472 k = 0.2014 0.1163-0.0000 ( 1215 PWs) bands (ev): -12.2600 -12.2600 -11.9755 -11.9755 -0.4417 -0.4417 0.5236 0.5236 0.5790 0.5790 1.6564 1.6564 2.0202 2.0202 2.0803 2.0803 11.0886 11.0886 13.8670 13.8670 14.6312 14.6312 15.0098 15.0098 k = 0.2083 0.1203-0.0000 ( 1213 PWs) bands (ev): -12.2091 -12.2091 -11.9268 -11.9268 -0.3704 -0.3704 0.3763 0.3763 0.4336 0.4336 1.7179 1.7179 1.9604 1.9604 2.0212 2.0212 11.1628 11.1628 13.7843 13.7843 14.4838 14.4838 14.9729 14.9729 k = 0.2153 0.1243-0.0000 ( 1215 PWs) bands (ev): -12.1568 -12.1568 -11.8767 -11.8767 -0.2970 -0.2970 0.2279 0.2279 0.2872 0.2872 1.7810 1.7810 1.9007 1.9007 1.9622 1.9622 11.2383 11.2383 13.6960 13.6960 14.3357 14.3357 14.9363 14.9363 k = 0.2222 0.1283-0.0000 ( 1211 PWs) bands (ev): -12.1031 -12.1031 -11.8253 -11.8253 -0.2214 -0.2214 0.0787 0.0787 0.1400 0.1400 1.8407 1.8407 1.8463 1.8463 1.9036 1.9036 11.3151 11.3151 13.6017 13.6017 14.1878 14.1878 14.9000 14.9000 k = 0.2292 0.1323-0.0000 ( 1215 PWs) bands (ev): -12.0480 -12.0480 -11.7726 -11.7726 -0.1439 -0.1439 -0.0712 -0.0712 -0.0079 -0.0079 1.7821 1.7821 1.8447 1.8447 1.9125 1.9125 11.3931 11.3931 13.5007 13.5007 14.0409 14.0409 14.8642 14.8642 k = 0.2361 0.1363-0.0000 ( 1215 PWs) bands (ev): -11.9916 -11.9916 -11.7187 -11.7187 -0.2216 -0.2216 -0.1562 -0.1562 -0.0640 -0.0640 1.7236 1.7236 1.7868 1.7868 1.9803 1.9803 11.4724 11.4724 13.3924 13.3924 13.8959 13.8959 14.8290 14.8290 k = 0.2431 0.1403-0.0000 ( 1215 PWs) bands (ev): -11.9339 -11.9339 -11.6636 -11.6636 -0.3721 -0.3721 -0.3046 -0.3046 0.0176 0.0176 1.6655 1.6655 1.7294 1.7294 2.0496 2.0496 11.5528 11.5528 13.2764 13.2764 13.7537 13.7537 14.7942 14.7942 k = 0.2500 0.1443-0.0000 ( 1223 PWs) bands (ev): -11.8750 -11.8750 -11.6074 -11.6074 -0.5227 -0.5227 -0.4532 -0.4532 0.1012 0.1012 1.6080 1.6080 1.6726 1.6726 2.1203 2.1203 11.6341 11.6341 13.1521 13.1521 13.6150 13.6150 14.7599 14.7599 k = 0.2569 0.1483-0.0000 ( 1227 PWs) bands (ev): -11.8149 -11.8149 -11.5501 -11.5501 -0.6732 -0.6732 -0.6016 -0.6016 0.1868 0.1868 1.5514 1.5514 1.6166 1.6166 2.1922 2.1922 11.7164 11.7164 13.0196 13.0196 13.4802 13.4802 14.7263 14.7263 k = 0.2639 0.1524-0.0000 ( 1227 PWs) bands (ev): -11.7536 -11.7536 -11.4918 -11.4918 -0.8233 -0.8233 -0.7497 -0.7497 0.2742 0.2742 1.4956 1.4956 1.5613 1.5613 2.2654 2.2654 11.7995 11.7995 12.8796 12.8796 13.3491 13.3491 14.6934 14.6934 k = 0.2708 0.1564-0.0000 ( 1223 PWs) bands (ev): -11.6913 -11.6913 -11.4325 -11.4325 -0.9728 -0.9728 -0.8972 -0.8972 0.3634 0.3634 1.4407 1.4407 1.5069 1.5069 2.3398 2.3398 11.8833 11.8833 12.7329 12.7329 13.2213 13.2213 14.6611 14.6611 k = 0.2778 0.1604-0.0000 ( 1221 PWs) bands (ev): -11.6280 -11.6280 -11.3724 -11.3724 -1.1217 -1.1217 -1.0441 -1.0441 0.4543 0.4543 1.3868 1.3868 1.4535 1.4535 2.4152 2.4152 11.9677 11.9677 12.5807 12.5807 13.0960 13.0960 14.6295 14.6295 k = 0.2847 0.1644-0.0000 ( 1223 PWs) bands (ev): -11.5637 -11.5637 -11.3115 -11.3115 -1.2696 -1.2696 -1.1903 -1.1903 0.5469 0.5469 1.3339 1.3339 1.4012 1.4012 2.4914 2.4914 12.0526 12.0526 12.4241 12.4241 12.9724 12.9724 14.5987 14.5987 k = 0.2917 0.1684-0.0000 ( 1219 PWs) bands (ev): -11.4987 -11.4987 -11.2498 -11.2498 -1.4165 -1.4165 -1.3353 -1.3353 0.6411 0.6411 1.2822 1.2822 1.3499 1.3499 2.5685 2.5685 12.1377 12.1377 12.2642 12.2642 12.8500 12.8500 14.5686 14.5686 k = 0.2986 0.1724-0.0000 ( 1219 PWs) bands (ev): -11.4328 -11.4328 -11.1875 -11.1875 -1.5621 -1.5621 -1.4791 -1.4791 0.7367 0.7367 1.2316 1.2316 1.2998 1.2998 2.6463 2.6463 12.1019 12.1019 12.2230 12.2230 12.7283 12.7283 14.5394 14.5394 k = 0.3056 0.1764-0.0000 ( 1219 PWs) bands (ev): -11.3663 -11.3663 -11.1247 -11.1247 -1.7063 -1.7063 -1.6216 -1.6216 0.8338 0.8338 1.1823 1.1823 1.2509 1.2509 2.7246 2.7246 11.9382 11.9382 12.3082 12.3082 12.6070 12.6070 14.5109 14.5109 k = 0.3125 0.1804-0.0000 ( 1223 PWs) bands (ev): -11.2991 -11.2991 -11.0615 -11.0615 -1.8489 -1.8489 -1.7626 -1.7626 0.9321 0.9321 1.1342 1.1342 1.2032 1.2032 2.8032 2.8032 11.7736 11.7736 12.3931 12.3931 12.4859 12.4859 14.4832 14.4832 k = 0.3194 0.1844-0.0000 ( 1227 PWs) bands (ev): -11.2315 -11.2315 -10.9980 -10.9980 -1.9896 -1.9896 -1.9018 -1.9018 1.0315 1.0315 1.0877 1.0877 1.1569 1.1569 2.8821 2.8821 11.6088 11.6088 12.3650 12.3650 12.4776 12.4776 14.4564 14.4564 k = 0.3264 0.1884-0.0000 ( 1235 PWs) bands (ev): -11.1636 -11.1636 -10.9343 -10.9343 -2.1283 -2.1283 -2.0391 -2.0391 1.0421 1.0421 1.1118 1.1118 1.1326 1.1326 2.9610 2.9610 11.4443 11.4443 12.2443 12.2443 12.5614 12.5614 14.4304 14.4304 k = 0.3333 0.1925-0.0000 ( 1243 PWs) bands (ev): -11.0954 -11.0954 -10.8705 -10.8705 -2.2647 -2.2647 -2.1744 -2.1744 0.9982 0.9982 1.0683 1.0683 1.2340 1.2340 3.0398 3.0398 11.2806 11.2806 12.1239 12.1239 12.6442 12.6442 14.4054 14.4054 k = 0.3403 0.1965-0.0000 ( 1241 PWs) bands (ev): -11.0271 -11.0271 -10.8069 -10.8069 -2.3987 -2.3987 -2.3072 -2.3072 0.9559 0.9559 1.0263 1.0263 1.3363 1.3363 3.1182 3.1182 11.1182 11.1182 12.0040 12.0040 12.7258 12.7258 14.3813 14.3813 k = 0.3472 0.2005-0.0000 ( 1233 PWs) bands (ev): -10.9589 -10.9589 -10.7434 -10.7434 -2.5300 -2.5300 -2.4375 -2.4375 0.9151 0.9151 0.9860 0.9860 1.4393 1.4393 3.1961 3.1961 10.9575 10.9575 11.8849 11.8849 12.8060 12.8060 14.3581 14.3581 k = 0.3542 0.2045-0.0000 ( 1233 PWs) bands (ev): -10.8908 -10.8908 -10.6804 -10.6804 -2.6584 -2.6584 -2.5651 -2.5651 0.8758 0.8758 0.9470 0.9470 1.5428 1.5428 3.2732 3.2732 10.7989 10.7989 11.7666 11.7666 12.8843 12.8843 14.3358 14.3358 k = 0.3611 0.2085-0.0000 ( 1233 PWs) bands (ev): -10.8231 -10.8231 -10.6181 -10.6181 -2.7836 -2.7836 -2.6897 -2.6897 0.8381 0.8381 0.9096 0.9096 1.6465 1.6465 3.3492 3.3492 10.6429 10.6429 11.6496 11.6496 12.9606 12.9606 14.3145 14.3145 k = 0.3681 0.2125-0.0000 ( 1233 PWs) bands (ev): -10.7560 -10.7560 -10.5565 -10.5565 -2.9055 -2.9055 -2.8112 -2.8112 0.8021 0.8021 0.8739 0.8739 1.7502 1.7502 3.4238 3.4238 10.4898 10.4898 11.5340 11.5340 13.0345 13.0345 14.2942 14.2942 k = 0.3750 0.2165-0.0000 ( 1229 PWs) bands (ev): -10.6897 -10.6897 -10.4959 -10.4959 -3.0236 -3.0236 -2.9291 -2.9291 0.7678 0.7678 0.8398 0.8398 1.8537 1.8537 3.4967 3.4967 10.3402 10.3402 11.4203 11.4203 13.1057 13.1057 14.2748 14.2748 k = 0.3819 0.2205-0.0000 ( 1227 PWs) bands (ev): -10.6243 -10.6243 -10.4365 -10.4365 -3.1379 -3.1379 -3.0434 -3.0434 0.7351 0.7351 0.8074 0.8074 1.9566 1.9566 3.5677 3.5677 10.1945 10.1945 11.3087 11.3087 13.1740 13.1740 14.2564 14.2564 k = 0.3889 0.2245-0.0000 ( 1226 PWs) bands (ev): -10.5601 -10.5601 -10.3786 -10.3786 -3.2480 -3.2480 -3.1537 -3.1537 0.7042 0.7042 0.7767 0.7767 2.0587 2.0587 3.6363 3.6363 10.0531 10.0531 11.1997 11.1997 13.2390 13.2390 14.2391 14.2391 k = 0.3958 0.2285-0.0000 ( 1230 PWs) bands (ev): -10.4973 -10.4973 -10.3224 -10.3224 -3.3536 -3.3536 -3.2598 -3.2598 0.6750 0.6750 0.7477 0.7477 2.1597 2.1597 3.7022 3.7022 9.9165 9.9165 11.0937 11.0937 13.3006 13.3006 14.2227 14.2227 k = 0.4028 0.2325-0.0000 ( 1230 PWs) bands (ev): -10.4363 -10.4363 -10.2682 -10.2682 -3.4545 -3.4545 -3.3612 -3.3612 0.6476 0.6476 0.7205 0.7205 2.2590 2.2590 3.7650 3.7650 9.7853 9.7853 10.9911 10.9911 13.3585 13.3585 14.2073 14.2073 k = 0.4097 0.2366-0.0000 ( 1230 PWs) bands (ev): -10.3772 -10.3772 -10.2162 -10.2162 -3.5502 -3.5502 -3.4579 -3.4579 0.6220 0.6220 0.6950 0.6950 2.3563 2.3563 3.8244 3.8244 9.6600 9.6600 10.8923 10.8923 13.4126 13.4126 14.1930 14.1930 k = 0.4167 0.2406-0.0000 ( 1232 PWs) bands (ev): -10.3204 -10.3204 -10.1668 -10.1668 -3.6405 -3.6405 -3.5493 -3.5493 0.5982 0.5982 0.6714 0.6714 2.4512 2.4512 3.8801 3.8801 9.5410 9.5410 10.7978 10.7978 13.4626 13.4626 14.1797 14.1797 k = 0.4236 0.2446-0.0000 ( 1232 PWs) bands (ev): -10.2662 -10.2662 -10.1202 -10.1202 -3.7252 -3.7252 -3.6353 -3.6353 0.5763 0.5763 0.6496 0.6496 2.5429 2.5429 3.9315 3.9315 9.4290 9.4290 10.7081 10.7081 13.5086 13.5086 14.1675 14.1675 k = 0.4306 0.2486-0.0000 ( 1232 PWs) bands (ev): -10.2149 -10.2149 -10.0767 -10.0767 -3.8037 -3.8037 -3.7154 -3.7154 0.5562 0.5562 0.6297 0.6297 2.6309 2.6309 3.9786 3.9786 9.3244 9.3244 10.6238 10.6238 13.5504 13.5504 14.1562 14.1562 k = 0.4375 0.2526-0.0000 ( 1232 PWs) bands (ev): -10.1668 -10.1668 -10.0365 -10.0365 -3.8759 -3.8759 -3.7892 -3.7892 0.5379 0.5379 0.6116 0.6116 2.7145 2.7145 4.0210 4.0210 9.2279 9.2279 10.5453 10.5453 13.5880 13.5880 14.1461 14.1461 k = 0.4444 0.2566-0.0000 ( 1232 PWs) bands (ev): -10.1224 -10.1224 -10.0000 -10.0000 -3.9415 -3.9415 -3.8566 -3.8566 0.5216 0.5216 0.5954 0.5954 2.7929 2.7929 4.0585 4.0585 9.1399 9.1399 10.4732 10.4732 13.6215 13.6215 14.1370 14.1370 k = 0.4514 0.2606-0.0000 ( 1232 PWs) bands (ev): -10.0818 -10.0818 -9.9674 -9.9674 -4.0001 -4.0001 -3.9170 -3.9170 0.5071 0.5071 0.5810 0.5810 2.8654 2.8654 4.0910 4.0910 9.0610 9.0610 10.4079 10.4079 13.6508 13.6508 14.1290 14.1290 k = 0.4583 0.2646-0.0000 ( 1232 PWs) bands (ev): -10.0456 -10.0456 -9.9388 -9.9388 -4.0514 -4.0514 -3.9702 -3.9702 0.4946 0.4946 0.5686 0.5686 2.9309 2.9309 4.1185 4.1185 8.9916 8.9916 10.3501 10.3501 13.6761 13.6761 14.1220 14.1220 k = 0.4653 0.2686-0.0000 ( 1232 PWs) bands (ev): -10.0141 -10.0141 -9.9145 -9.9145 -4.0953 -4.0953 -4.0159 -4.0159 0.4840 0.4840 0.5580 0.5580 2.9886 2.9886 4.1412 4.1412 8.9322 8.9322 10.3003 10.3003 13.6973 13.6973 14.1161 14.1161 k = 0.4722 0.2726-0.0000 ( 1228 PWs) bands (ev): -9.9876 -9.9876 -9.8946 -9.8946 -4.1315 -4.1315 -4.0537 -4.0537 0.4753 0.4753 0.5494 0.5494 3.0376 3.0376 4.1592 4.1592 8.8830 8.8830 10.2588 10.2588 13.7146 13.7146 14.1113 14.1113 k = 0.4792 0.2766-0.0000 ( 1228 PWs) bands (ev): -9.9665 -9.9665 -9.8792 -9.8792 -4.1599 -4.1599 -4.0834 -4.0834 0.4685 0.4685 0.5426 0.5426 3.0768 3.0768 4.1727 4.1727 8.8444 8.8444 10.2260 10.2260 13.7279 13.7279 14.1075 14.1075 k = 0.4861 0.2807-0.0000 ( 1226 PWs) bands (ev): -9.9512 -9.9512 -9.8682 -9.8682 -4.1802 -4.1802 -4.1048 -4.1048 0.4636 0.4636 0.5378 0.5378 3.1055 3.1055 4.1821 4.1821 8.8167 8.8167 10.2024 10.2024 13.7374 13.7374 14.1048 14.1048 k = 0.4931 0.2847-0.0000 ( 1226 PWs) bands (ev): -9.9418 -9.9418 -9.8616 -9.8616 -4.1924 -4.1924 -4.1177 -4.1177 0.4607 0.4607 0.5349 0.5349 3.1230 3.1230 4.1876 4.1876 8.8000 8.8000 10.1881 10.1881 13.7431 13.7431 14.1032 14.1032 k = 0.5000 0.2887-0.0000 ( 1238 PWs) bands (ev): -9.9387 -9.9387 -9.8594 -9.8594 -4.1966 -4.1966 -4.1220 -4.1220 0.4597 0.4597 0.5339 0.5339 3.1288 3.1288 4.1893 4.1893 8.7944 8.7944 10.1833 10.1833 13.7449 13.7449 14.1027 14.1027 k = 0.5000 0.2887-0.0000 ( 1238 PWs) bands (ev): -9.9387 -9.9387 -9.8594 -9.8594 -4.1966 -4.1966 -4.1220 -4.1220 0.4597 0.4597 0.5339 0.5339 3.1288 3.1288 4.1893 4.1893 8.7944 8.7944 10.1833 10.1833 13.7449 13.7449 14.1027 14.1027 k = 0.4960 0.2955-0.0000 ( 1226 PWs) bands (ev): -9.9381 -9.9381 -9.8589 -9.8589 -4.1958 -4.1958 -4.1212 -4.1212 0.4560 0.4560 0.5303 0.5303 3.1299 3.1299 4.1901 4.1901 8.7950 8.7950 10.1830 10.1830 13.7499 13.7499 14.1081 14.1081 k = 0.4921 0.3024-0.0000 ( 1224 PWs) bands (ev): -9.9363 -9.9363 -9.8572 -9.8572 -4.1936 -4.1936 -4.1190 -4.1190 0.4449 0.4449 0.5193 0.5193 3.1329 3.1329 4.1920 4.1920 8.7969 8.7969 10.1819 10.1819 13.7645 13.7645 14.1246 14.1246 k = 0.4881 0.3093-0.0000 ( 1228 PWs) bands (ev): -9.9334 -9.9334 -9.8543 -9.8543 -4.1900 -4.1900 -4.1152 -4.1152 0.4263 0.4263 0.5009 0.5009 3.1379 3.1379 4.1952 4.1952 8.8000 8.8000 10.1801 10.1801 13.7889 13.7889 14.1518 14.1518 k = 0.4841 0.3162-0.0000 ( 1228 PWs) bands (ev): -9.9293 -9.9293 -9.8504 -9.8504 -4.1850 -4.1850 -4.1100 -4.1100 0.4005 0.4005 0.4755 0.4755 3.1450 3.1450 4.1996 4.1996 8.8043 8.8043 10.1776 10.1776 13.8227 13.8227 14.1897 14.1897 k = 0.4802 0.3230-0.0000 ( 1228 PWs) bands (ev): -9.9240 -9.9240 -9.8453 -9.8453 -4.1785 -4.1785 -4.1033 -4.1033 0.3675 0.3675 0.4430 0.4430 3.1540 3.1540 4.2053 4.2053 8.8099 8.8099 10.1744 10.1744 13.8658 13.8658 14.2381 14.2381 k = 0.4762 0.3299-0.0000 ( 1228 PWs) bands (ev): -9.9176 -9.9176 -9.8391 -9.8391 -4.1705 -4.1705 -4.0951 -4.0951 0.3277 0.3277 0.4038 0.4038 3.1650 3.1650 4.2122 4.2122 8.8166 8.8166 10.1704 10.1704 13.9180 13.9180 14.2967 14.2967 k = 0.4722 0.3368-0.0000 ( 1226 PWs) bands (ev): -9.9100 -9.9100 -9.8319 -9.8319 -4.1611 -4.1611 -4.0854 -4.0854 0.2813 0.2813 0.3580 0.3580 3.1780 3.1780 4.2203 4.2203 8.8244 8.8244 10.1656 10.1656 13.9790 13.9790 14.3654 14.3654 k = 0.4683 0.3437-0.0000 ( 1226 PWs) bands (ev): -9.9014 -9.9014 -9.8235 -9.8235 -4.1503 -4.1503 -4.0742 -4.0742 0.2284 0.2284 0.3059 0.3059 3.1929 3.1929 4.2296 4.2296 8.8334 8.8334 10.1600 10.1600 14.0482 14.0482 14.4436 14.4436 k = 0.4643 0.3505-0.0000 ( 1229 PWs) bands (ev): -9.8916 -9.8916 -9.8142 -9.8142 -4.1381 -4.1381 -4.0615 -4.0615 0.1695 0.1695 0.2477 0.2477 3.2098 3.2098 4.2400 4.2400 8.8434 8.8434 10.1535 10.1535 14.1253 14.1253 14.5312 14.5312 k = 0.4603 0.3574-0.0000 ( 1233 PWs) bands (ev): -9.8808 -9.8808 -9.8038 -9.8038 -4.1244 -4.1244 -4.0473 -4.0473 0.1049 0.1049 0.1837 0.1837 3.2287 3.2287 4.2514 4.2514 8.8544 8.8544 10.1461 10.1461 14.2099 14.2099 14.6276 14.6276 k = 0.4563 0.3643-0.0000 ( 1233 PWs) bands (ev): -9.8690 -9.8690 -9.7925 -9.7925 -4.1093 -4.1093 -4.0317 -4.0317 0.0348 0.0348 0.1146 0.1146 3.2494 3.2494 4.2640 4.2640 8.8664 8.8664 10.1379 10.1379 14.3015 14.3015 14.7324 14.7324 k = 0.4524 0.3712-0.0000 ( 1229 PWs) bands (ev): -9.8561 -9.8561 -9.7802 -9.7802 -4.0927 -4.0927 -4.0146 -4.0146 -0.0402 -0.0402 0.0405 0.0405 3.2720 3.2720 4.2774 4.2774 8.8793 8.8793 10.1286 10.1286 14.3995 14.3995 14.8452 14.8452 k = 0.4484 0.3780-0.0000 ( 1229 PWs) bands (ev): -9.8423 -9.8423 -9.7670 -9.7670 -4.0748 -4.0748 -3.9960 -3.9960 -0.1199 -0.1199 -0.0383 -0.0383 3.2964 3.2964 4.2918 4.2918 8.8930 8.8930 10.1183 10.1183 14.5033 14.5033 14.9654 14.9654 k = 0.4444 0.3849-0.0000 ( 1229 PWs) bands (ev): -9.8276 -9.8276 -9.7529 -9.7529 -4.0555 -4.0555 -3.9759 -3.9759 -0.2038 -0.2038 -0.1213 -0.1213 3.3226 3.3226 4.3070 4.3070 8.9076 8.9076 10.1069 10.1069 14.6124 14.6124 15.0925 15.0925 k = 0.4405 0.3918-0.0000 ( 1237 PWs) bands (ev): -9.8119 -9.8119 -9.7380 -9.7380 -4.0348 -4.0348 -3.9545 -3.9545 -0.2917 -0.2917 -0.2082 -0.2082 3.3505 3.3505 4.3230 4.3230 8.9228 8.9228 10.0944 10.0944 14.7261 14.7261 15.2259 15.2259 k = 0.4365 0.3986-0.0000 ( 1241 PWs) bands (ev): -9.7954 -9.7954 -9.7223 -9.7223 -4.0126 -4.0126 -3.9315 -3.9315 -0.3830 -0.3830 -0.2986 -0.2986 3.3803 3.3803 4.3396 4.3396 8.9386 8.9386 10.0808 10.0808 14.8437 14.8437 15.3651 15.3651 k = 0.4325 0.4055-0.0000 ( 1245 PWs) bands (ev): -9.7782 -9.7782 -9.7060 -9.7060 -3.9892 -3.9892 -3.9071 -3.9071 -0.4773 -0.4773 -0.3921 -0.3921 3.4117 3.4117 4.3568 4.3568 8.9549 8.9549 10.0660 10.0660 14.9645 14.9645 15.5094 15.5094 k = 0.4286 0.4124-0.0000 ( 1245 PWs) bands (ev): -9.7601 -9.7601 -9.6889 -9.6889 -3.9643 -3.9643 -3.8813 -3.8813 -0.5743 -0.5743 -0.4883 -0.4883 3.4447 3.4447 4.3744 4.3744 8.9717 8.9717 10.0499 10.0499 15.0880 15.0880 15.6582 15.6582 k = 0.4246 0.4193-0.0000 ( 1241 PWs) bands (ev): -9.7415 -9.7415 -9.6713 -9.6713 -3.9381 -3.9381 -3.8540 -3.8540 -0.6734 -0.6734 -0.5868 -0.5868 3.4794 3.4794 4.3925 4.3925 8.9888 8.9888 10.0326 10.0326 15.2134 15.2134 15.8107 15.8107 k = 0.4206 0.4261-0.0000 ( 1237 PWs) bands (ev): -9.7222 -9.7222 -9.6532 -9.6532 -3.9105 -3.9105 -3.8253 -3.8253 -0.7745 -0.7745 -0.6873 -0.6873 3.5155 3.5155 4.4107 4.4107 9.0061 9.0061 10.0140 10.0140 15.3399 15.3399 15.9662 15.9662 k = 0.4167 0.4330-0.0000 ( 1231 PWs) bands (ev): -9.7023 -9.7023 -9.6346 -9.6346 -3.8817 -3.8817 -3.7952 -3.7952 -0.8770 -0.8770 -0.7894 -0.7894 3.5532 3.5532 4.4291 4.4291 9.0236 9.0236 9.9940 9.9940 15.4669 15.4669 16.1241 16.1241 k = 0.4127 0.4399-0.0000 ( 1233 PWs) bands (ev): -9.6820 -9.6820 -9.6157 -9.6157 -3.8515 -3.8515 -3.7637 -3.7637 -0.9808 -0.9808 -0.8928 -0.8928 3.5922 3.5922 4.4473 4.4473 9.0412 9.0412 9.9727 9.9727 15.5936 15.5936 16.2830 16.2830 k = 0.4087 0.4468-0.0000 ( 1229 PWs) bands (ev): -9.6613 -9.6613 -9.5965 -9.5965 -3.8202 -3.8202 -3.7308 -3.7308 -1.0851 -1.0851 -0.9970 -0.9970 3.6325 3.6325 4.4655 4.4655 9.0587 9.0587 9.9500 9.9500 15.7195 15.7195 16.4421 16.4421 k = 0.4048 0.4536-0.0000 ( 1229 PWs) bands (ev): -9.6403 -9.6403 -9.5772 -9.5772 -3.7876 -3.7876 -3.6966 -3.6966 -1.1898 -1.1898 -1.1018 -1.1018 3.6740 3.6740 4.4831 4.4831 9.0761 9.0761 9.9259 9.9259 15.8437 15.8437 16.6000 16.6000 k = 0.4008 0.4605-0.0000 ( 1229 PWs) bands (ev): -9.6191 -9.6191 -9.5578 -9.5578 -3.7538 -3.7538 -3.6611 -3.6611 -1.2944 -1.2944 -1.2067 -1.2067 3.7166 3.7166 4.5002 4.5002 9.0933 9.0933 9.9005 9.9005 15.9658 15.9658 16.4696 16.4696 k = 0.3968 0.4674-0.0000 ( 1239 PWs) bands (ev): -9.5979 -9.5979 -9.5384 -9.5384 -3.7189 -3.7189 -3.6243 -3.6243 -1.3986 -1.3986 -1.3114 -1.3114 3.7603 3.7603 4.5164 4.5164 9.1102 9.1102 9.8738 9.8738 16.0853 16.0853 16.3348 16.3348 k = 0.3929 0.4743-0.0000 ( 1239 PWs) bands (ev): -9.5766 -9.5766 -9.5192 -9.5192 -3.6830 -3.6830 -3.5863 -3.5863 -1.5019 -1.5019 -1.4156 -1.4156 3.8048 3.8048 4.5316 4.5316 9.1268 9.1268 9.8458 9.8458 16.2015 16.2015 16.2062 16.2062 k = 0.3889 0.4811-0.0000 ( 1241 PWs) bands (ev): -9.5554 -9.5554 -9.5003 -9.5003 -3.6460 -3.6460 -3.5470 -3.5470 -1.6039 -1.6039 -1.5189 -1.5189 3.8502 3.8502 4.5456 4.5456 9.1430 9.1430 9.8167 9.8167 16.0837 16.0837 16.3143 16.3143 k = 0.3849 0.4880-0.0000 ( 1241 PWs) bands (ev): -9.5345 -9.5345 -9.4818 -9.4818 -3.6082 -3.6082 -3.5066 -3.5066 -1.7042 -1.7042 -1.6209 -1.6209 3.8962 3.8962 4.5581 4.5581 9.1588 9.1588 9.7864 9.7864 15.9682 15.9682 16.4232 16.4232 k = 0.3810 0.4949-0.0000 ( 1241 PWs) bands (ev): -9.5139 -9.5139 -9.4638 -9.4638 -3.5697 -3.5697 -3.4651 -3.4651 -1.8024 -1.8024 -1.7212 -1.7212 3.9427 3.9427 4.5690 4.5690 9.1742 9.1742 9.7551 9.7551 15.8599 15.8599 16.5280 16.5280 k = 0.3770 0.5017-0.0000 ( 1241 PWs) bands (ev): -9.4938 -9.4938 -9.4466 -9.4466 -3.5306 -3.5306 -3.4227 -3.4227 -1.8980 -1.8980 -1.8195 -1.8195 3.9895 3.9895 4.5778 4.5778 9.1893 9.1893 9.7229 9.7229 15.7594 15.7594 16.6286 16.6286 k = 0.3730 0.5086-0.0000 ( 1237 PWs) bands (ev): -9.4744 -9.4744 -9.4302 -9.4302 -3.4910 -3.4910 -3.3794 -3.3794 -1.9904 -1.9904 -1.9153 -1.9153 4.0365 4.0365 4.5844 4.5844 9.2041 9.2041 9.6900 9.6900 15.6668 15.6668 16.7248 16.7248 k = 0.3690 0.5155-0.0000 ( 1237 PWs) bands (ev): -9.4558 -9.4558 -9.4148 -9.4148 -3.4514 -3.4514 -3.3355 -3.3355 -2.0791 -2.0791 -2.0081 -2.0081 4.0834 4.0834 4.5884 4.5884 9.2187 9.2187 9.6566 9.6566 15.5824 15.5824 16.8165 16.8165 k = 0.3651 0.5224-0.0000 ( 1237 PWs) bands (ev): -9.4381 -9.4381 -9.4006 -9.4006 -3.4121 -3.4121 -3.2912 -3.2912 -2.1635 -2.1635 -2.0975 -2.0975 4.1301 4.1301 4.5895 4.5895 9.2333 9.2333 9.6229 9.6229 15.5066 15.5066 16.9039 16.9039 k = 0.3611 0.5292-0.0000 ( 1237 PWs) bands (ev): -9.4215 -9.4215 -9.3878 -9.3878 -3.3736 -3.3736 -3.2469 -3.2469 -2.2427 -2.2427 -2.1826 -2.1826 4.1763 4.1763 4.5875 4.5875 9.2481 9.2481 9.5890 9.5890 15.4396 15.4396 16.9869 16.9869 k = 0.3571 0.5361-0.0000 ( 1237 PWs) bands (ev): -9.4062 -9.4062 -9.3764 -9.3764 -3.3364 -3.3364 -3.2031 -3.2031 -2.3157 -2.3157 -2.2629 -2.2629 4.2218 4.2218 4.5821 4.5821 9.2631 9.2631 9.5553 9.5553 15.3814 15.3814 17.0657 17.0657 k = 0.3532 0.5430-0.0000 ( 1237 PWs) bands (ev): -9.3923 -9.3923 -9.3668 -9.3668 -3.3017 -3.3017 -3.1606 -3.1606 -2.3815 -2.3815 -2.3370 -2.3370 4.2663 4.2663 4.5730 4.5730 9.2788 9.2788 9.5222 9.5222 15.3323 15.3323 17.1404 17.1404 k = 0.3492 0.5499-0.0000 ( 1227 PWs) bands (ev): -9.3801 -9.3801 -9.3591 -9.3591 -3.2703 -3.2703 -3.1206 -3.1206 -2.4384 -2.4384 -2.4036 -2.4036 4.3096 4.3096 4.5601 4.5601 9.2953 9.2953 9.4898 9.4898 15.2922 15.2922 17.2110 17.2110 k = 0.3452 0.5567-0.0000 ( 1231 PWs) bands (ev): -9.3696 -9.3696 -9.3534 -9.3534 -3.2440 -3.2440 -3.0849 -3.0849 -2.4851 -2.4851 -2.4606 -2.4606 4.3512 4.3512 4.5428 4.5428 9.3130 9.3130 9.4586 9.4586 15.2611 15.2611 17.2776 17.2776 k = 0.3413 0.5636-0.0000 ( 1233 PWs) bands (ev): -9.3611 -9.3611 -9.3500 -9.3500 -3.2241 -3.2241 -3.0561 -3.0561 -2.5197 -2.5197 -2.5052 -2.5052 4.3910 4.3910 4.5211 4.5211 9.3320 9.3320 9.4289 9.4289 15.2391 15.2391 17.3403 17.3403 k = 0.3373 0.5705-0.0000 ( 1233 PWs) bands (ev): -9.3547 -9.3547 -9.3490 -9.3490 -3.2118 -3.2118 -3.0372 -3.0372 -2.5411 -2.5411 -2.5335 -2.5335 4.4286 4.4286 4.4947 4.4947 9.3529 9.3529 9.4011 9.4011 15.2260 15.2260 17.3993 17.3993 k = 0.3333 0.5774-0.0000 ( 1233 PWs) bands (ev): -9.3508 -9.3508 -9.3503 -9.3503 -3.2078 -3.2078 -3.0307 -3.0307 -2.5488 -2.5488 -2.5426 -2.5426 4.4636 4.4636 4.4636 4.4636 9.3758 9.3758 9.3758 9.3758 15.2216 15.2216 17.4510 17.4510 k = 0.3333 0.5774-0.0000 ( 1233 PWs) bands (ev): -9.3508 -9.3508 -9.3503 -9.3503 -3.2078 -3.2078 -3.0307 -3.0307 -2.5488 -2.5488 -2.5426 -2.5426 4.4636 4.4636 4.4636 4.4636 9.3758 9.3758 9.3758 9.3758 15.2216 15.2216 17.4510 17.4510 k = 0.3293 0.5704-0.0000 ( 1233 PWs) bands (ev): -9.3549 -9.3549 -9.3489 -9.3489 -3.2115 -3.2115 -3.0369 -3.0369 -2.5405 -2.5405 -2.5344 -2.5344 4.4270 4.4270 4.4960 4.4960 9.3530 9.3530 9.4013 9.4013 15.2260 15.2260 17.3950 17.3950 k = 0.3253 0.5634-0.0000 ( 1237 PWs) bands (ev): -9.3622 -9.3622 -9.3499 -9.3499 -3.2213 -3.2213 -3.0534 -3.0534 -2.5178 -2.5178 -2.5109 -2.5109 4.3854 4.3854 4.5251 4.5251 9.3335 9.3335 9.4296 9.4296 15.2390 15.2390 17.3246 17.3246 k = 0.3213 0.5565-0.0000 ( 1233 PWs) bands (ev): -9.3726 -9.3726 -9.3537 -9.3537 -3.2350 -3.2350 -3.0759 -3.0759 -2.4848 -2.4848 -2.4738 -2.4738 4.3386 4.3386 4.5504 4.5504 9.3179 9.3179 9.4609 9.4609 15.2604 15.2604 17.2439 17.2439 k = 0.3173 0.5495-0.0000 ( 1229 PWs) bands (ev): -9.3862 -9.3862 -9.3605 -9.3605 -3.2501 -3.2501 -3.1009 -3.1009 -2.4437 -2.4437 -2.4268 -2.4268 4.2866 4.2866 4.5717 4.5717 9.3066 9.3066 9.4955 9.4955 15.2898 15.2898 17.1535 17.1535 k = 0.3133 0.5426-0.0000 ( 1233 PWs) bands (ev): -9.4030 -9.4030 -9.3703 -9.3703 -3.2650 -3.2650 -3.1254 -3.1254 -2.3958 -2.3958 -2.3730 -2.3730 4.2296 4.2296 4.5885 4.5885 9.3000 9.3000 9.5334 9.5334 15.3271 15.3271 17.0541 17.0541 k = 0.3092 0.5356-0.0000 ( 1229 PWs) bands (ev): -9.4232 -9.4232 -9.3833 -9.3833 -3.2778 -3.2778 -3.1477 -3.1477 -2.3423 -2.3423 -2.3141 -2.3141 4.1675 4.1675 4.6006 4.6006 9.2987 9.2987 9.5749 9.5749 15.3719 15.3719 16.9468 16.9468 k = 0.3052 0.5287-0.0000 ( 1229 PWs) bands (ev): -9.4468 -9.4468 -9.3995 -9.3995 -3.2877 -3.2877 -3.1664 -3.1664 -2.2845 -2.2845 -2.2515 -2.2515 4.1006 4.1006 4.6077 4.6077 9.3029 9.3029 9.6202 9.6202 15.4239 15.4239 16.8325 16.8325 k = 0.3012 0.5217-0.0000 ( 1229 PWs) bands (ev): -9.4738 -9.4738 -9.4190 -9.4190 -3.2936 -3.2936 -3.1808 -3.1808 -2.2231 -2.2231 -2.1858 -2.1858 4.0291 4.0291 4.6096 4.6096 9.3130 9.3130 9.6692 9.6692 15.4829 15.4829 16.7123 16.7123 k = 0.2972 0.5147-0.0000 ( 1225 PWs) bands (ev): -9.5042 -9.5042 -9.4418 -9.4418 -3.2951 -3.2951 -3.1903 -3.1903 -2.1585 -2.1585 -2.1175 -2.1175 3.9530 3.9530 4.6060 4.6060 9.3294 9.3294 9.7221 9.7221 15.5484 15.5484 16.5869 16.5869 k = 0.2932 0.5078-0.0000 ( 1229 PWs) bands (ev): -9.5380 -9.5380 -9.4678 -9.4678 -3.2917 -3.2917 -3.1946 -3.1946 -2.0913 -2.0913 -2.0470 -2.0470 3.8727 3.8727 4.5968 4.5968 9.3523 9.3523 9.7788 9.7788 15.6202 15.6202 16.4573 16.4573 k = 0.2892 0.5008-0.0000 ( 1229 PWs) bands (ev): -9.5751 -9.5751 -9.4971 -9.4971 -3.2831 -3.2831 -3.1934 -3.1934 -2.0217 -2.0217 -1.9746 -1.9746 3.7885 3.7885 4.5821 4.5821 9.3818 9.3818 9.8394 9.8394 15.6979 15.6979 16.3242 16.3242 k = 0.2851 0.4939-0.0000 ( 1229 PWs) bands (ev): -9.6154 -9.6154 -9.5297 -9.5297 -3.2692 -3.2692 -3.1865 -3.1865 -1.9500 -1.9500 -1.9004 -1.9004 3.7006 3.7006 4.5618 4.5618 9.4180 9.4180 9.9037 9.9037 15.7814 15.7814 16.1883 16.1883 k = 0.2811 0.4869-0.0000 ( 1229 PWs) bands (ev): -9.6589 -9.6589 -9.5653 -9.5653 -3.2499 -3.2499 -3.1740 -3.1740 -1.8764 -1.8764 -1.8245 -1.8245 3.6093 3.6093 4.5359 4.5359 9.4610 9.4610 9.9717 9.9717 15.8701 15.8701 16.0501 16.0501 k = 0.2771 0.4800-0.0000 ( 1229 PWs) bands (ev): -9.7053 -9.7053 -9.6041 -9.6041 -3.2252 -3.2252 -3.1557 -3.1557 -1.8010 -1.8010 -1.7472 -1.7472 3.5148 3.5148 4.5046 4.5046 9.5109 9.5109 10.0433 10.0433 15.9102 15.9102 15.9640 15.9640 k = 0.2731 0.4730-0.0000 ( 1229 PWs) bands (ev): -9.7546 -9.7546 -9.6457 -9.6457 -3.1950 -3.1950 -3.1317 -3.1317 -1.7240 -1.7240 -1.6684 -1.6684 3.4175 3.4175 4.4680 4.4680 9.5674 9.5674 10.1184 10.1184 15.7690 15.7690 16.0625 16.0625 k = 0.2691 0.4661-0.0000 ( 1233 PWs) bands (ev): -9.8066 -9.8066 -9.6902 -9.6902 -3.1595 -3.1595 -3.1022 -3.1022 -1.6454 -1.6454 -1.5884 -1.5884 3.3177 3.3177 4.4263 4.4263 9.6306 9.6306 10.1967 10.1967 15.6270 15.6270 16.1655 16.1655 k = 0.2651 0.4591-0.0000 ( 1241 PWs) bands (ev): -9.8612 -9.8612 -9.7373 -9.7373 -3.1187 -3.1187 -3.0672 -3.0672 -1.5655 -1.5655 -1.5070 -1.5070 3.2156 3.2156 4.3799 4.3799 9.7002 9.7002 10.2783 10.2783 15.4844 15.4844 16.2727 16.2727 k = 0.2610 0.4521-0.0000 ( 1237 PWs) bands (ev): -9.9181 -9.9181 -9.7870 -9.7870 -3.0727 -3.0727 -3.0265 -3.0265 -1.4841 -1.4841 -1.4245 -1.4245 3.1116 3.1116 4.3290 4.3290 9.7760 9.7760 10.3629 10.3629 15.3417 15.3417 16.3837 16.3837 k = 0.2570 0.4452-0.0000 ( 1237 PWs) bands (ev): -9.9771 -9.9771 -9.8389 -9.8389 -3.0217 -3.0217 -2.9807 -2.9807 -1.4015 -1.4015 -1.3408 -1.3408 3.0058 3.0058 4.2739 4.2739 9.8578 9.8578 10.4504 10.4504 15.1990 15.1990 16.4983 16.4983 k = 0.2530 0.4382-0.0000 ( 1241 PWs) bands (ev): -10.0382 -10.0382 -9.8931 -9.8931 -2.9659 -2.9659 -2.9298 -2.9298 -1.3177 -1.3177 -1.2560 -1.2560 2.8986 2.8986 4.2149 4.2149 9.9453 9.9453 10.5406 10.5406 15.0566 15.0566 16.6162 16.6162 k = 0.2490 0.4313-0.0000 ( 1241 PWs) bands (ev): -10.1011 -10.1011 -9.9492 -9.9492 -2.9054 -2.9054 -2.8739 -2.8739 -1.2327 -1.2327 -1.1702 -1.1702 2.7902 2.7902 4.1524 4.1524 10.0384 10.0384 10.6332 10.6332 14.9148 14.9148 16.7370 16.7370 k = 0.2450 0.4243-0.0000 ( 1241 PWs) bands (ev): -10.1656 -10.1656 -10.0071 -10.0071 -2.8402 -2.8402 -2.8132 -2.8132 -1.1466 -1.1466 -1.0834 -1.0834 2.6809 2.6809 4.0867 4.0867 10.1367 10.1367 10.7283 10.7283 14.7737 14.7737 16.8605 16.8605 k = 0.2410 0.4174-0.0000 ( 1233 PWs) bands (ev): -10.2316 -10.2316 -10.0667 -10.0667 -2.7706 -2.7706 -2.7478 -2.7478 -1.0594 -1.0594 -0.9956 -0.9956 2.5708 2.5708 4.0181 4.0181 10.2400 10.2400 10.8255 10.8255 14.6335 14.6335 16.9863 16.9863 k = 0.2369 0.4104-0.0000 ( 1233 PWs) bands (ev): -10.2988 -10.2988 -10.1277 -10.1277 -2.6969 -2.6969 -2.6779 -2.6779 -0.9713 -0.9713 -0.9070 -0.9070 2.4602 2.4602 3.9468 3.9468 10.3479 10.3479 10.9248 10.9248 14.4942 14.4942 17.1141 17.1141 k = 0.2329 0.4034-0.0000 ( 1233 PWs) bands (ev): -10.3671 -10.3671 -10.1900 -10.1900 -2.6191 -2.6191 -2.6038 -2.6038 -0.8822 -0.8822 -0.8175 -0.8175 2.3493 2.3493 3.8733 3.8733 10.4603 10.4603 11.0258 11.0258 14.3561 14.3561 17.2435 17.2435 k = 0.2289 0.3965-0.0000 ( 1237 PWs) bands (ev): -10.4363 -10.4363 -10.2533 -10.2533 -2.5375 -2.5375 -2.5256 -2.5256 -0.7923 -0.7923 -0.7272 -0.7272 2.2382 2.2382 3.7978 3.7978 10.5769 10.5769 11.1284 11.1284 14.2193 14.2193 17.3742 17.3742 k = 0.2249 0.3895-0.0000 ( 1233 PWs) bands (ev): -10.5062 -10.5062 -10.3177 -10.3177 -2.4521 -2.4521 -2.4434 -2.4434 -0.7016 -0.7016 -0.6362 -0.6362 2.1272 2.1272 3.7207 3.7207 10.6974 10.6974 11.2326 11.2326 14.0838 14.0838 17.3980 17.3980 k = 0.2209 0.3826-0.0000 ( 1237 PWs) bands (ev): -10.5768 -10.5768 -10.3828 -10.3828 -2.3631 -2.3631 -2.3575 -2.3575 -0.6101 -0.6101 -0.5446 -0.5446 2.0164 2.0164 3.6421 3.6421 10.8216 10.8216 11.3380 11.3380 13.9498 13.9498 17.3310 17.3310 k = 0.2169 0.3756-0.0000 ( 1237 PWs) bands (ev): -10.6477 -10.6477 -10.4485 -10.4485 -2.2709 -2.2709 -2.2679 -2.2679 -0.5180 -0.5180 -0.4522 -0.4522 1.9060 1.9060 3.5622 3.5622 10.9492 10.9492 11.4445 11.4445 13.8173 13.8173 17.2635 17.2635 k = 0.2129 0.3687-0.0000 ( 1237 PWs) bands (ev): -10.7190 -10.7190 -10.5147 -10.5147 -2.1757 -2.1757 -2.1745 -2.1745 -0.4251 -0.4251 -0.3594 -0.3594 1.7960 1.7960 3.4814 3.4814 11.0800 11.0800 11.5518 11.5518 13.6865 13.6865 17.1956 17.1956 k = 0.2088 0.3617-0.0000 ( 1237 PWs) bands (ev): -10.7904 -10.7904 -10.5812 -10.5812 -2.0789 -2.0789 -2.0764 -2.0764 -0.3317 -0.3317 -0.2660 -0.2660 1.6867 1.6867 3.3999 3.3999 11.2137 11.2137 11.6599 11.6599 13.5573 13.5573 17.1275 17.1275 k = 0.2048 0.3548-0.0000 ( 1237 PWs) bands (ev): -10.8619 -10.8619 -10.6480 -10.6480 -1.9795 -1.9795 -1.9749 -1.9749 -0.2378 -0.2378 -0.1721 -0.1721 1.5782 1.5782 3.3178 3.3178 11.3502 11.3502 11.7685 11.7685 13.4299 13.4299 17.0595 17.0595 k = 0.2008 0.3478-0.0000 ( 1237 PWs) bands (ev): -10.9333 -10.9333 -10.7148 -10.7148 -1.8772 -1.8772 -1.8706 -1.8706 -0.1434 -0.1434 -0.0779 -0.0779 1.4706 1.4706 3.2354 3.2354 11.4893 11.4893 11.8774 11.8774 13.3043 13.3043 16.9917 16.9917 k = 0.1968 0.3408-0.0000 ( 1237 PWs) bands (ev): -11.0044 -11.0044 -10.7816 -10.7816 -1.7721 -1.7721 -1.7636 -1.7636 -0.0487 -0.0487 0.0167 0.0167 1.3640 1.3640 3.1528 3.1528 11.6306 11.6306 11.9865 11.9865 13.1806 13.1806 16.9244 16.9245 k = 0.1928 0.3339-0.0000 ( 1237 PWs) bands (ev): -11.0753 -11.0753 -10.8482 -10.8482 -1.6643 -1.6643 -1.6542 -1.6542 0.0464 0.0464 0.1116 0.1116 1.2585 1.2585 3.0702 3.0702 11.7742 11.7742 12.0955 12.0955 13.0587 13.0587 16.8578 16.8578 k = 0.1888 0.3269-0.0000 ( 1225 PWs) bands (ev): -11.1457 -11.1457 -10.9145 -10.9145 -1.5541 -1.5541 -1.5423 -1.5423 0.1418 0.1418 0.2067 0.2067 1.1542 1.1542 2.9878 2.9878 11.9197 11.9197 12.2043 12.2043 12.9389 12.9389 16.7921 16.7921 k = 0.1847 0.3200-0.0000 ( 1225 PWs) bands (ev): -11.2156 -11.2156 -10.9805 -10.9805 -1.4415 -1.4415 -1.4283 -1.4283 0.2373 0.2373 0.3019 0.3019 1.0511 1.0511 2.9057 2.9057 12.0669 12.0669 12.3126 12.3126 12.8209 12.8209 16.7273 16.7273 k = 0.1807 0.3130-0.0000 ( 1225 PWs) bands (ev): -11.2849 -11.2849 -11.0460 -11.0460 -1.3267 -1.3267 -1.3122 -1.3122 0.3328 0.3328 0.3971 0.3971 0.9495 0.9495 2.8240 2.8240 12.2157 12.2157 12.4203 12.4203 12.7050 12.7050 16.6638 16.6638 k = 0.1767 0.3061-0.0000 ( 1229 PWs) bands (ev): -11.3536 -11.3536 -11.1110 -11.1110 -1.2098 -1.2098 -1.1942 -1.1942 0.4285 0.4285 0.4923 0.4923 0.8493 0.8493 2.7429 2.7429 12.3658 12.3658 12.5271 12.5271 12.5911 12.5911 16.6016 16.6016 k = 0.1727 0.2991-0.0000 ( 1229 PWs) bands (ev): -11.4215 -11.4215 -11.1753 -11.1753 -1.0910 -1.0910 -1.0743 -1.0743 0.5240 0.5240 0.5873 0.5873 0.7507 0.7507 2.6625 2.6625 12.4791 12.4791 12.5172 12.5172 12.6328 12.6328 16.5408 16.5408 k = 0.1687 0.2922-0.0000 ( 1229 PWs) bands (ev): -11.4885 -11.4885 -11.2389 -11.2389 -0.9704 -0.9704 -0.9527 -0.9527 0.6192 0.6192 0.6539 0.6539 0.6822 0.6822 2.5829 2.5829 12.3694 12.3694 12.6695 12.6695 12.7374 12.7374 16.4818 16.4818 k = 0.1647 0.2852-0.0000 ( 1229 PWs) bands (ev): -11.5546 -11.5546 -11.3017 -11.3017 -0.8482 -0.8482 -0.8297 -0.8297 0.5581 0.5581 0.7147 0.7147 0.7768 0.7768 2.5043 2.5043 12.2617 12.2617 12.8226 12.8226 12.8405 12.8405 16.4244 16.4244 k = 0.1606 0.2782-0.0000 ( 1225 PWs) bands (ev): -11.6198 -11.6198 -11.3637 -11.3637 -0.7244 -0.7244 -0.7052 -0.7052 0.4645 0.4645 0.8096 0.8096 0.8711 0.8711 2.4266 2.4266 12.1562 12.1562 12.9420 12.9420 12.9762 12.9762 16.3690 16.3690 k = 0.1566 0.2713-0.0000 ( 1225 PWs) bands (ev): -11.6839 -11.6839 -11.4247 -11.4247 -0.5993 -0.5993 -0.5794 -0.5794 0.3727 0.3727 0.9040 0.9040 0.9649 0.9649 2.3500 2.3500 12.0527 12.0527 13.0417 13.0417 13.1303 13.1303 16.3156 16.3156 k = 0.1526 0.2643-0.0000 ( 1225 PWs) bands (ev): -11.7469 -11.7469 -11.4848 -11.4848 -0.4730 -0.4730 -0.4525 -0.4525 0.2826 0.2826 0.9979 0.9979 1.0582 1.0582 2.2746 2.2746 11.9514 11.9514 13.1394 13.1394 13.2846 13.2846 16.2642 16.2642 k = 0.1486 0.2574-0.0000 ( 1217 PWs) bands (ev): -11.8088 -11.8088 -11.5438 -11.5438 -0.3456 -0.3456 -0.3245 -0.3245 0.1945 0.1945 1.0913 1.0913 1.1509 1.1509 2.2004 2.2004 11.8523 11.8523 13.2349 13.2349 13.4389 13.4389 16.2151 16.2151 k = 0.1446 0.2504-0.0000 ( 1219 PWs) bands (ev): -11.8695 -11.8695 -11.6017 -11.6017 -0.2173 -0.2173 -0.1958 -0.1958 0.1083 0.1083 1.1839 1.1839 1.2429 1.2429 2.1276 2.1276 11.7554 11.7554 13.3281 13.3281 13.5930 13.5930 16.1682 16.1682 k = 0.1406 0.2435-0.0000 ( 1219 PWs) bands (ev): -11.9289 -11.9289 -11.6585 -11.6585 -0.0883 -0.0883 -0.0663 -0.0663 0.0241 0.0241 1.2757 1.2757 1.3340 1.3340 2.0562 2.0562 11.6606 11.6606 13.4188 13.4188 13.7467 13.7467 16.1236 16.1236 k = 0.1365 0.2365-0.0000 ( 1215 PWs) bands (ev): -11.9870 -11.9870 -11.7141 -11.7141 -0.0583 -0.0583 0.0416 0.0416 0.0639 0.0639 1.3667 1.3667 1.4242 1.4242 1.9862 1.9862 11.5679 11.5679 13.5069 13.5069 13.8999 13.8999 16.0815 16.0815 k = 0.1325 0.2295-0.0000 ( 1215 PWs) bands (ev): -12.0438 -12.0438 -11.7684 -11.7684 -0.1384 -0.1384 0.1716 0.1716 0.1943 0.1943 1.4566 1.4566 1.5134 1.5134 1.9178 1.9178 11.4775 11.4775 13.5923 13.5923 14.0522 14.0522 16.0418 16.0418 k = 0.1285 0.2226-0.0000 ( 1211 PWs) bands (ev): -12.0993 -12.0993 -11.8215 -11.8215 -0.2165 -0.2165 0.3021 0.3021 0.3251 0.3251 1.5454 1.5454 1.6016 1.6016 1.8510 1.8510 11.3893 11.3893 13.6746 13.6746 14.2035 14.2035 16.0047 16.0047 k = 0.1245 0.2156-0.0000 ( 1207 PWs) bands (ev): -12.1533 -12.1533 -11.8733 -11.8733 -0.2924 -0.2924 0.4327 0.4327 0.4559 0.4559 1.6330 1.6330 1.6883 1.6883 1.7858 1.7858 11.3032 11.3032 13.7539 13.7539 14.3534 14.3534 15.9701 15.9701 k = 0.1205 0.2087-0.0000 ( 1211 PWs) bands (ev): -12.2059 -12.2059 -11.9237 -11.9237 -0.3663 -0.3663 0.5631 0.5631 0.5866 0.5866 1.7193 1.7193 1.7218 1.7218 1.7743 1.7743 11.2194 11.2194 13.8300 13.8300 14.5019 14.5019 15.9381 15.9381 k = 0.1165 0.2017-0.0000 ( 1213 PWs) bands (ev): -12.2571 -12.2571 -11.9727 -11.9727 -0.4379 -0.4379 0.6933 0.6933 0.7171 0.7171 1.6601 1.6601 1.8041 1.8041 1.8582 1.8582 11.1377 11.1377 13.9029 13.9029 14.6486 14.6486 15.9086 15.9086 k = 0.1124 0.1948-0.0000 ( 1213 PWs) bands (ev): -12.3067 -12.3067 -12.0203 -12.0203 -0.5073 -0.5073 0.8230 0.8230 0.8471 0.8471 1.6000 1.6000 1.8874 1.8874 1.9407 1.9407 11.0583 11.0583 13.9726 13.9726 14.7934 14.7934 15.8819 15.8819 k = 0.1084 0.1878-0.0000 ( 1213 PWs) bands (ev): -12.3548 -12.3548 -12.0664 -12.0664 -0.5745 -0.5745 0.9522 0.9522 0.9765 0.9765 1.5417 1.5417 1.9690 1.9690 2.0216 2.0216 10.9811 10.9811 14.0391 14.0391 14.9360 14.9360 15.8578 15.8578 k = 0.1044 0.1809-0.0000 ( 1213 PWs) bands (ev): -12.4014 -12.4014 -12.1111 -12.1111 -0.6394 -0.6394 1.0804 1.0804 1.1050 1.1050 1.4853 1.4853 2.0489 2.0489 2.1008 2.1008 10.9061 10.9061 14.1022 14.1022 15.0761 15.0761 15.8363 15.8363 k = 0.1004 0.1739-0.0000 ( 1209 PWs) bands (ev): -12.4463 -12.4463 -12.1543 -12.1543 -0.7020 -0.7020 1.2076 1.2076 1.2324 1.2324 1.4308 1.4308 2.1268 2.1268 2.1781 2.1781 10.8333 10.8333 14.1619 14.1619 15.2137 15.2137 15.8174 15.8174 k = 0.0964 0.1669-0.0000 ( 1201 PWs) bands (ev): -12.4897 -12.4897 -12.1959 -12.1959 -0.7623 -0.7623 1.3335 1.3335 1.3580 1.3580 1.3788 1.3788 2.2029 2.2029 2.2534 2.2534 10.7628 10.7628 14.2185 14.2185 15.3484 15.3484 15.8011 15.8011 k = 0.0924 0.1600-0.0000 ( 1201 PWs) bands (ev): -12.5314 -12.5314 -12.2360 -12.2360 -0.8203 -0.8203 1.3273 1.3273 1.4577 1.4577 1.4834 1.4834 2.2767 2.2767 2.3266 2.3266 10.6945 10.6945 14.2716 14.2716 15.4798 15.4798 15.7873 15.7873 k = 0.0884 0.1530-0.0000 ( 1201 PWs) bands (ev): -12.5715 -12.5715 -12.2746 -12.2746 -0.8759 -0.8759 1.2786 1.2786 1.5801 1.5801 1.6062 1.6062 2.3484 2.3484 2.3976 2.3976 10.6285 10.6285 14.3215 14.3215 15.6078 15.6078 15.7760 15.7760 k = 0.0843 0.1461-0.0000 ( 1201 PWs) bands (ev): -12.6099 -12.6099 -12.3115 -12.3115 -0.9292 -0.9292 1.2318 1.2318 1.7003 1.7003 1.7270 1.7270 2.4177 2.4177 2.4664 2.4664 10.5647 10.5647 14.3682 14.3682 15.7322 15.7322 15.7670 15.7670 k = 0.0803 0.1391-0.0000 ( 1201 PWs) bands (ev): -12.6467 -12.6467 -12.3469 -12.3469 -0.9801 -0.9801 1.1871 1.1871 1.8182 1.8182 1.8454 1.8454 2.4847 2.4847 2.5328 2.5328 10.5033 10.5033 14.4118 14.4118 15.7604 15.7604 15.8400 15.8400 k = 0.0763 0.1322-0.0000 ( 1205 PWs) bands (ev): -12.6817 -12.6817 -12.3806 -12.3806 -1.0286 -1.0286 1.1443 1.1443 1.9334 1.9334 1.9612 1.9612 2.5490 2.5490 2.5966 2.5966 10.4441 10.4441 14.4523 14.4523 15.7560 15.7560 15.8268 15.8268 k = 0.0723 0.1252-0.0000 ( 1201 PWs) bands (ev): -12.7151 -12.7151 -12.4126 -12.4126 -1.0746 -1.0746 1.1037 1.1037 2.0457 2.0457 2.0741 2.0741 2.6108 2.6108 2.6578 2.6578 10.3874 10.3874 14.4900 14.4900 15.7537 15.7537 15.8162 15.8162 k = 0.0683 0.1183-0.0000 ( 1201 PWs) bands (ev): -12.7467 -12.7467 -12.4431 -12.4431 -1.1183 -1.1183 1.0652 1.0652 2.1545 2.1545 2.1837 2.1837 2.6698 2.6698 2.7163 2.7163 10.3331 10.3331 14.5248 14.5248 15.7533 15.7533 15.8084 15.8084 k = 0.0643 0.1113-0.0000 ( 1205 PWs) bands (ev): -12.7766 -12.7766 -12.4718 -12.4718 -1.1596 -1.1596 1.0287 1.0287 2.2598 2.2598 2.2898 2.2898 2.7260 2.7260 2.7720 2.7720 10.2812 10.2812 14.5568 14.5568 15.7547 15.7547 15.8032 15.8032 k = 0.0602 0.1043-0.0000 ( 1201 PWs) bands (ev): -12.8047 -12.8047 -12.4989 -12.4989 -1.1983 -1.1983 0.9944 0.9944 2.3612 2.3612 2.3920 2.3920 2.7793 2.7793 2.8249 2.8249 10.2318 10.2318 14.5862 14.5862 15.7578 15.7578 15.8006 15.8006 k = 0.0562 0.0974-0.0000 ( 1201 PWs) bands (ev): -12.8310 -12.8310 -12.5242 -12.5242 -1.2347 -1.2347 0.9623 0.9623 2.4582 2.4582 2.4899 2.4899 2.8295 2.8295 2.8748 2.8748 10.1850 10.1850 14.6130 14.6130 15.7623 15.7623 15.8005 15.8005 k = 0.0522 0.0904-0.0000 ( 1201 PWs) bands (ev): -12.8556 -12.8556 -12.5479 -12.5479 -1.2686 -1.2686 0.9323 0.9323 2.5505 2.5505 2.5832 2.5832 2.8767 2.8767 2.9216 2.9216 10.1409 10.1409 14.6374 14.6374 15.7680 15.7680 15.8028 15.8028 k = 0.0482 0.0835-0.0000 ( 1197 PWs) bands (ev): -12.8784 -12.8784 -12.5699 -12.5699 -1.2999 -1.2999 0.9045 0.9045 2.6378 2.6378 2.6717 2.6717 2.9208 2.9208 2.9653 2.9653 10.0994 10.0994 14.6595 14.6595 15.7748 15.7748 15.8076 15.8076 k = 0.0442 0.0765-0.0000 ( 1197 PWs) bands (ev): -12.8994 -12.8994 -12.5901 -12.5901 -1.3289 -1.3289 0.8788 0.8788 2.7197 2.7197 2.7547 2.7547 2.9615 2.9615 3.0058 3.0058 10.0608 10.0608 14.6794 14.6794 15.7823 15.7823 15.8145 15.8145 k = 0.0402 0.0696-0.0000 ( 1201 PWs) bands (ev): -12.9186 -12.9186 -12.6086 -12.6086 -1.3553 -1.3553 0.8553 0.8553 2.7960 2.7960 2.8320 2.8320 2.9990 2.9990 3.0430 3.0430 10.0251 10.0251 14.6972 14.6972 15.7904 15.7904 15.8237 15.8237 k = 0.0361 0.0626-0.0000 ( 1205 PWs) bands (ev): -12.9360 -12.9360 -12.6253 -12.6253 -1.3792 -1.3792 0.8340 0.8340 2.8661 2.8661 2.9031 2.9031 3.0331 3.0331 3.0769 3.0769 9.9923 9.9923 14.7130 14.7130 15.7987 15.7987 15.8348 15.8348 k = 0.0321 0.0556-0.0000 ( 1205 PWs) bands (ev): -12.9516 -12.9516 -12.6404 -12.6404 -1.4006 -1.4006 0.8150 0.8150 2.9299 2.9299 2.9679 2.9679 3.0638 3.0638 3.1074 3.1074 9.9627 9.9627 14.7268 14.7268 15.8071 15.8071 15.8478 15.8478 k = 0.0281 0.0487-0.0000 ( 1203 PWs) bands (ev): -12.9653 -12.9653 -12.6536 -12.6536 -1.4195 -1.4195 0.7982 0.7982 2.9869 2.9869 3.0259 3.0259 3.0913 3.0913 3.1344 3.1344 9.9362 9.9362 14.7389 14.7389 15.8153 15.8153 15.8626 15.8626 k = 0.0241 0.0417-0.0000 ( 1207 PWs) bands (ev): -12.9773 -12.9773 -12.6651 -12.6651 -1.4359 -1.4359 0.7836 0.7836 3.0370 3.0370 3.0767 3.0767 3.1151 3.1151 3.1579 3.1579 9.9130 9.9130 14.7492 14.7492 15.8230 15.8230 15.8784 15.8784 k = 0.0201 0.0348-0.0000 ( 1207 PWs) bands (ev): -12.9874 -12.9874 -12.6748 -12.6748 -1.4498 -1.4498 0.7712 0.7712 3.0798 3.0798 3.1199 3.1199 3.1359 3.1359 3.1780 3.1780 9.8932 9.8932 14.7577 14.7577 15.8300 15.8300 15.8936 15.8936 k = 0.0161 0.0278-0.0000 ( 1213 PWs) bands (ev): -12.9957 -12.9957 -12.6828 -12.6828 -1.4612 -1.4612 0.7611 0.7611 3.1149 3.1149 3.1503 3.1503 3.1580 3.1580 3.1947 3.1947 9.8769 9.8769 14.7647 14.7647 15.8360 15.8361 15.8988 15.8988 k = 0.0120 0.0209-0.0000 ( 1209 PWs) bands (ev): -13.0021 -13.0021 -12.6890 -12.6890 -1.4700 -1.4700 0.7532 0.7532 3.1421 3.1421 3.1651 3.1651 3.1844 3.1844 3.2081 3.2081 9.8641 9.8641 14.7700 14.7700 15.8410 15.8410 15.8823 15.8823 k = 0.0080 0.0139-0.0000 ( 1215 PWs) bands (ev): -13.0067 -13.0067 -12.6935 -12.6935 -1.4764 -1.4764 0.7476 0.7476 3.1606 3.1606 3.1760 3.1760 3.2030 3.2030 3.2187 3.2187 9.8549 9.8549 14.7738 14.7738 15.8443 15.8443 15.8643 15.8643 k = 0.0040 0.0070-0.0000 ( 1215 PWs) bands (ev): -13.0095 -13.0095 -12.6961 -12.6961 -1.4801 -1.4801 0.7442 0.7442 3.1706 3.1706 3.1836 3.1836 3.2131 3.2131 3.2262 3.2262 9.8494 9.8494 14.7761 14.7761 15.8456 15.8456 15.8534 15.8534 k = 0.0000 0.0000 0.0000 ( 1215 PWs) bands (ev): -13.0104 -13.0104 -12.6970 -12.6970 -1.4814 -1.4814 0.7431 0.7431 3.1736 3.1736 3.1864 3.1864 3.2162 3.2162 3.2291 3.2291 9.8476 9.8476 14.7769 14.7769 15.8448 15.8448 15.8509 15.8509 k = 0.0000 0.0000 0.0000 ( 1215 PWs) bands (ev): -13.0104 -13.0104 -12.6970 -12.6970 -1.4814 -1.4814 0.7431 0.7431 3.1736 3.1736 3.1864 3.1864 3.2162 3.2162 3.2291 3.2291 9.8476 9.8476 14.7769 14.7769 15.8448 15.8448 15.8509 15.8509 k = 0.0000 0.0000 0.0080 ( 1215 PWs) bands (ev): -13.0101 -13.0101 -12.6974 -12.6974 -1.4795 -1.4795 0.7399 0.7399 3.1737 3.1737 3.1865 3.1865 3.2161 3.2161 3.2290 3.2290 9.8528 9.8528 14.7692 14.7692 15.8450 15.8450 15.8510 15.8510 k = 0.0000 0.0000 0.0160 ( 1215 PWs) bands (ev): -13.0092 -13.0092 -12.6984 -12.6984 -1.4737 -1.4737 0.7305 0.7305 3.1738 3.1738 3.1866 3.1866 3.2160 3.2160 3.2289 3.2289 9.8685 9.8685 14.7464 14.7464 15.8454 15.8454 15.8514 15.8514 k = 0.0000 0.0000 0.0241 ( 1215 PWs) bands (ev): -13.0076 -13.0076 -12.7002 -12.7002 -1.4641 -1.4641 0.7150 0.7150 3.1740 3.1740 3.1869 3.1869 3.2158 3.2158 3.2287 3.2287 9.8945 9.8945 14.7092 14.7092 15.8461 15.8461 15.8522 15.8522 k = 0.0000 0.0000 0.0321 ( 1209 PWs) bands (ev): -13.0054 -13.0054 -12.7027 -12.7027 -1.4507 -1.4507 0.6935 0.6935 3.1744 3.1744 3.1872 3.1872 3.2155 3.2155 3.2284 3.2284 9.9307 9.9307 14.6587 14.6587 15.8471 15.8471 15.8532 15.8532 k = 0.0000 0.0000 0.0401 ( 1203 PWs) bands (ev): -13.0025 -13.0025 -12.7059 -12.7059 -1.4335 -1.4335 0.6663 0.6663 3.1748 3.1748 3.1876 3.1876 3.2151 3.2151 3.2280 3.2280 9.9768 9.9768 14.5960 14.5960 15.8484 15.8484 15.8545 15.8545 k = 0.0000 0.0000 0.0481 ( 1203 PWs) bands (ev): -12.9992 -12.9992 -12.7098 -12.7098 -1.4125 -1.4125 0.6333 0.6333 3.1753 3.1753 3.1881 3.1881 3.2146 3.2146 3.2275 3.2275 10.0326 10.0326 14.5223 14.5223 15.8499 15.8499 15.8560 15.8560 k = 0.0000 0.0000 0.0561 ( 1203 PWs) bands (ev): -12.9952 -12.9952 -12.7143 -12.7143 -1.3879 -1.3879 0.5951 0.5951 3.1758 3.1758 3.1887 3.1887 3.2141 3.2141 3.2270 3.2270 10.0977 10.0977 14.4388 14.4388 15.8517 15.8517 15.8578 15.8578 k = 0.0000 0.0000 0.0642 ( 1202 PWs) bands (ev): -12.9906 -12.9906 -12.7194 -12.7194 -1.3596 -1.3596 0.5520 0.5520 3.1765 3.1765 3.1893 3.1893 3.2134 3.2134 3.2263 3.2263 10.1717 10.1717 14.3464 14.3464 15.8538 15.8538 15.8599 15.8599 k = 0.0000 0.0000 0.0722 ( 1208 PWs) bands (ev): -12.9855 -12.9855 -12.7251 -12.7251 -1.3278 -1.3278 0.5041 0.5041 3.1772 3.1772 3.1901 3.1901 3.2126 3.2126 3.2255 3.2255 10.2543 10.2543 14.2458 14.2458 15.8561 15.8561 15.8622 15.8622 k = 0.0000 0.0000 0.0802 ( 1208 PWs) bands (ev): -12.9799 -12.9799 -12.7315 -12.7315 -1.2925 -1.2925 0.4521 0.4521 3.1781 3.1781 3.1909 3.1909 3.2118 3.2118 3.2247 3.2247 10.3450 10.3450 14.1382 14.1382 15.8587 15.8587 15.8647 15.8647 k = 0.0000 0.0000 0.0882 ( 1208 PWs) bands (ev): -12.9737 -12.9737 -12.7383 -12.7383 -1.2538 -1.2538 0.3964 0.3964 3.1789 3.1789 3.1918 3.1918 3.2109 3.2109 3.2238 3.2238 10.4433 10.4433 14.0239 14.0239 15.8614 15.8614 15.8675 15.8675 k = 0.0000 0.0000 0.0962 ( 1208 PWs) bands (ev): -12.9670 -12.9670 -12.7457 -12.7457 -1.2118 -1.2118 0.3372 0.3372 3.1799 3.1799 3.1927 3.1927 3.2100 3.2100 3.2229 3.2229 10.5487 10.5487 13.9038 13.9038 15.8644 15.8644 15.8705 15.8705 k = 0.0000 0.0000 0.1043 ( 1208 PWs) bands (ev): -12.9599 -12.9599 -12.7535 -12.7535 -1.1667 -1.1667 0.2749 0.2749 3.1809 3.1809 3.1938 3.1938 3.2090 3.2090 3.2219 3.2219 10.6608 10.6608 13.7782 13.7782 15.8677 15.8677 15.8738 15.8738 k = 0.0000 0.0000 0.1123 ( 1214 PWs) bands (ev): -12.9523 -12.9523 -12.7618 -12.7618 -1.1185 -1.1185 0.2100 0.2100 3.1820 3.1820 3.1948 3.1948 3.2079 3.2079 3.2208 3.2208 10.7790 10.7790 13.6477 13.6477 15.8711 15.8711 15.8772 15.8772 k = 0.0000 0.0000 0.1203 ( 1214 PWs) bands (ev): -12.9443 -12.9443 -12.7705 -12.7705 -1.0673 -1.0673 0.1430 0.1430 3.1831 3.1831 3.1960 3.1960 3.2067 3.2067 3.2196 3.2196 10.9029 10.9029 13.5129 13.5129 15.8747 15.8747 15.8808 15.8808 k = 0.0000 0.0000 0.1283 ( 1214 PWs) bands (ev): -12.9359 -12.9359 -12.7795 -12.7795 -1.0134 -1.0134 0.0741 0.0741 3.1843 3.1843 3.1972 3.1972 3.2055 3.2055 3.2184 3.2184 11.0318 11.0318 13.3744 13.3744 15.8784 15.8784 15.8845 15.8845 k = 0.0000 0.0000 0.1363 ( 1214 PWs) bands (ev): -12.9272 -12.9272 -12.7888 -12.7888 -0.9567 -0.9567 0.0037 0.0037 3.1856 3.1856 3.1984 3.1984 3.2043 3.2043 3.2172 3.2172 11.1653 11.1653 13.2324 13.2324 15.8823 15.8823 15.8884 15.8884 k = 0.0000 0.0000 0.1444 ( 1214 PWs) bands (ev): -12.9181 -12.9181 -12.7984 -12.7984 -0.8976 -0.8976 -0.0677 -0.0677 3.1869 3.1869 3.1997 3.1997 3.2030 3.2030 3.2159 3.2159 11.3029 11.3029 13.0876 13.0876 15.8864 15.8864 15.8925 15.8925 k = 0.0000 0.0000 0.1524 ( 1220 PWs) bands (ev): -12.9088 -12.9088 -12.8082 -12.8082 -0.8362 -0.8362 -0.1400 -0.1400 3.1882 3.1882 3.2010 3.2010 3.2017 3.2017 3.2146 3.2146 11.4441 11.4441 12.9404 12.9404 15.8905 15.8905 15.8966 15.8966 k = 0.0000 0.0000 0.1604 ( 1214 PWs) bands (ev): -12.8992 -12.8992 -12.8182 -12.8182 -0.7726 -0.7726 -0.2126 -0.2126 3.1895 3.1895 3.2005 3.2005 3.2024 3.2024 3.2133 3.2133 11.5883 11.5883 12.7913 12.7913 15.8948 15.8948 15.9009 15.9009 k = 0.0000 0.0000 0.1684 ( 1214 PWs) bands (ev): -12.8893 -12.8893 -12.8283 -12.8283 -0.7070 -0.7070 -0.2852 -0.2852 3.1909 3.1909 3.1991 3.1991 3.2038 3.2038 3.2120 3.2120 11.7350 11.7350 12.6408 12.6408 15.8991 15.8991 15.9053 15.9053 k = 0.0000 0.0000 0.1764 ( 1214 PWs) bands (ev): -12.8794 -12.8794 -12.8385 -12.8385 -0.6397 -0.6397 -0.3577 -0.3577 3.1923 3.1923 3.1977 3.1977 3.2052 3.2052 3.2106 3.2106 11.8838 11.8838 12.4893 12.4893 15.9035 15.9035 15.9097 15.9097 k = 0.0000 0.0000 0.1845 ( 1226 PWs) bands (ev): -12.8692 -12.8692 -12.8488 -12.8488 -0.5709 -0.5709 -0.4296 -0.4296 3.1935 3.1935 3.1963 3.1963 3.2063 3.2063 3.2091 3.2091 12.0341 12.0341 12.3374 12.3374 15.9079 15.9079 15.9140 15.9140 k = 0.0000 0.0000 0.1925 ( 1250 PWs) bands (ev): -12.8591 -12.8591 -12.8591 -12.8591 -0.5009 -0.5009 -0.5009 -0.5009 3.1947 3.1947 3.1947 3.1947 3.2076 3.2076 3.2076 3.2076 12.1854 12.1854 12.1854 12.1854 15.9123 15.9123 15.9123 15.9125 k = 0.0000 0.0000 0.1925 ( 1250 PWs) bands (ev): -12.8591 -12.8591 -12.8591 -12.8591 -0.5009 -0.5009 -0.5009 -0.5009 3.1947 3.1947 3.1947 3.1947 3.2076 3.2076 3.2076 3.2076 12.1854 12.1854 12.1854 12.1854 15.9123 15.9123 15.9123 15.9123 k = 0.0069 0.0040 0.1925 ( 1218 PWs) bands (ev): -12.8581 -12.8581 -12.8581 -12.8581 -0.4996 -0.4996 -0.4996 -0.4996 3.1920 3.1920 3.1920 3.1920 3.2050 3.2050 3.2050 3.2050 12.1868 12.1868 12.1868 12.1868 15.9133 15.9133 15.9133 15.9133 k = 0.0139 0.0080 0.1925 ( 1216 PWs) bands (ev): -12.8554 -12.8554 -12.8554 -12.8554 -0.4960 -0.4960 -0.4960 -0.4960 3.1820 3.1820 3.1820 3.1820 3.1975 3.1975 3.1975 3.1975 12.1908 12.1908 12.1908 12.1908 15.9121 15.9121 15.9121 15.9121 k = 0.0208 0.0120 0.1925 ( 1216 PWs) bands (ev): -12.8509 -12.8509 -12.8509 -12.8509 -0.4900 -0.4900 -0.4900 -0.4900 3.1635 3.1635 3.1635 3.1635 3.1869 3.1869 3.1869 3.1869 12.1975 12.1975 12.1975 12.1975 15.9087 15.9087 15.9087 15.9087 k = 0.0278 0.0160 0.1925 ( 1220 PWs) bands (ev): -12.8446 -12.8446 -12.8446 -12.8446 -0.4817 -0.4817 -0.4817 -0.4817 3.1364 3.1364 3.1364 3.1364 3.1734 3.1734 3.1734 3.1734 12.2067 12.2067 12.2067 12.2067 15.9036 15.9036 15.9036 15.9036 k = 0.0347 0.0200 0.1925 ( 1212 PWs) bands (ev): -12.8365 -12.8365 -12.8365 -12.8365 -0.4710 -0.4710 -0.4710 -0.4710 3.1014 3.1014 3.1014 3.1014 3.1569 3.1569 3.1569 3.1569 12.2184 12.2184 12.2184 12.2184 15.8970 15.8970 15.8970 15.8970 k = 0.0417 0.0241 0.1925 ( 1210 PWs) bands (ev): -12.8266 -12.8266 -12.8266 -12.8266 -0.4578 -0.4578 -0.4578 -0.4578 3.0585 3.0585 3.0585 3.0585 3.1370 3.1370 3.1370 3.1370 12.2325 12.2325 12.2325 12.2325 15.8889 15.8889 15.8889 15.8889 k = 0.0486 0.0281 0.1925 ( 1210 PWs) bands (ev): -12.8149 -12.8149 -12.8149 -12.8149 -0.4423 -0.4423 -0.4423 -0.4423 3.0081 3.0081 3.0081 3.0081 3.1139 3.1139 3.1139 3.1139 12.2488 12.2488 12.2488 12.2488 15.8792 15.8792 15.8792 15.8792 k = 0.0556 0.0321 0.1925 ( 1214 PWs) bands (ev): -12.8014 -12.8014 -12.8014 -12.8014 -0.4245 -0.4245 -0.4245 -0.4245 2.9504 2.9504 2.9504 2.9504 3.0876 3.0876 3.0876 3.0876 12.2673 12.2673 12.2673 12.2673 15.8679 15.8679 15.8679 15.8679 k = 0.0625 0.0361 0.1925 ( 1214 PWs) bands (ev): -12.7862 -12.7862 -12.7862 -12.7862 -0.4042 -0.4042 -0.4042 -0.4042 2.8858 2.8858 2.8858 2.8858 3.0582 3.0582 3.0582 3.0582 12.2877 12.2877 12.2877 12.2877 15.8551 15.8551 15.8551 15.8551 k = 0.0694 0.0401 0.1925 ( 1218 PWs) bands (ev): -12.7691 -12.7691 -12.7691 -12.7691 -0.3817 -0.3817 -0.3817 -0.3817 2.8144 2.8144 2.8144 2.8144 3.0258 3.0258 3.0258 3.0258 12.3100 12.3100 12.3100 12.3100 15.8406 15.8406 15.8406 15.8406 k = 0.0764 0.0441 0.1925 ( 1214 PWs) bands (ev): -12.7503 -12.7503 -12.7503 -12.7503 -0.3567 -0.3567 -0.3567 -0.3567 2.7367 2.7367 2.7367 2.7367 2.9906 2.9906 2.9906 2.9906 12.3339 12.3339 12.3339 12.3339 15.8244 15.8244 15.8244 15.8244 k = 0.0833 0.0481 0.1925 ( 1214 PWs) bands (ev): -12.7297 -12.7297 -12.7297 -12.7297 -0.3295 -0.3295 -0.3295 -0.3295 2.6529 2.6529 2.6529 2.6529 2.9527 2.9527 2.9527 2.9527 12.3592 12.3592 12.3592 12.3592 15.8064 15.8064 15.8064 15.8064 k = 0.0903 0.0521 0.1925 ( 1214 PWs) bands (ev): -12.7074 -12.7074 -12.7074 -12.7074 -0.3000 -0.3000 -0.3000 -0.3000 2.5632 2.5632 2.5632 2.5632 2.9122 2.9122 2.9122 2.9122 12.3857 12.3857 12.3857 12.3857 15.7865 15.7865 15.7865 15.7865 k = 0.0972 0.0561 0.1925 ( 1214 PWs) bands (ev): -12.6833 -12.6833 -12.6833 -12.6833 -0.2682 -0.2682 -0.2682 -0.2682 2.4680 2.4680 2.4680 2.4680 2.8693 2.8693 2.8693 2.8693 12.4132 12.4132 12.4132 12.4132 15.7645 15.7645 15.7645 15.7645 k = 0.1042 0.0601 0.1925 ( 1214 PWs) bands (ev): -12.6575 -12.6575 -12.6575 -12.6575 -0.2341 -0.2341 -0.2341 -0.2341 2.3675 2.3675 2.3675 2.3675 2.8243 2.8243 2.8243 2.8243 12.4415 12.4415 12.4415 12.4415 15.7401 15.7401 15.7401 15.7401 k = 0.1111 0.0642 0.1925 ( 1214 PWs) bands (ev): -12.6300 -12.6300 -12.6300 -12.6300 -0.1978 -0.1978 -0.1978 -0.1978 2.2622 2.2622 2.2622 2.2622 2.7771 2.7771 2.7771 2.7771 12.4704 12.4704 12.4704 12.4704 15.7133 15.7133 15.7133 15.7133 k = 0.1181 0.0682 0.1925 ( 1214 PWs) bands (ev): -12.6007 -12.6007 -12.6007 -12.6007 -0.1593 -0.1593 -0.1593 -0.1593 2.1523 2.1523 2.1523 2.1523 2.7281 2.7281 2.7281 2.7281 12.4996 12.4996 12.4996 12.4996 15.6837 15.6837 15.6837 15.6837 k = 0.1250 0.0722 0.1925 ( 1212 PWs) bands (ev): -12.5698 -12.5698 -12.5698 -12.5698 -0.1186 -0.1186 -0.1186 -0.1186 2.0382 2.0382 2.0382 2.0382 2.6773 2.6773 2.6773 2.6773 12.5288 12.5288 12.5288 12.5288 15.6511 15.6511 15.6511 15.6511 k = 0.1319 0.0762 0.1925 ( 1216 PWs) bands (ev): -12.5372 -12.5372 -12.5372 -12.5372 -0.0759 -0.0759 -0.0759 -0.0759 1.9201 1.9201 1.9201 1.9201 2.6250 2.6250 2.6250 2.6250 12.5578 12.5578 12.5578 12.5578 15.6151 15.6151 15.6151 15.6151 k = 0.1389 0.0802 0.1925 ( 1214 PWs) bands (ev): -12.5028 -12.5028 -12.5028 -12.5028 -0.0310 -0.0310 -0.0310 -0.0310 1.7985 1.7985 1.7985 1.7985 2.5713 2.5713 2.5713 2.5713 12.5864 12.5864 12.5864 12.5864 15.5754 15.5754 15.5754 15.5754 k = 0.1458 0.0842 0.1925 ( 1218 PWs) bands (ev): -12.4669 -12.4669 -12.4669 -12.4669 0.0157 0.0157 0.0157 0.0157 1.6736 1.6736 1.6736 1.6736 2.5163 2.5163 2.5163 2.5163 12.6142 12.6142 12.6142 12.6142 15.5317 15.5317 15.5317 15.5317 k = 0.1528 0.0882 0.1925 ( 1218 PWs) bands (ev): -12.4293 -12.4293 -12.4293 -12.4293 0.0642 0.0642 0.0642 0.0642 1.5460 1.5460 1.5460 1.5460 2.4603 2.4603 2.4603 2.4603 12.6408 12.6408 12.6408 12.6408 15.4839 15.4839 15.4839 15.4839 k = 0.1597 0.0922 0.1925 ( 1218 PWs) bands (ev): -12.3901 -12.3901 -12.3901 -12.3901 0.1143 0.1143 0.1143 0.1143 1.4162 1.4162 1.4162 1.4162 2.4033 2.4033 2.4033 2.4033 12.6659 12.6659 12.6659 12.6659 15.4317 15.4317 15.4317 15.4317 k = 0.1667 0.0962 0.1925 ( 1218 PWs) bands (ev): -12.3493 -12.3493 -12.3493 -12.3493 0.1655 0.1655 0.1655 0.1655 1.2846 1.2846 1.2846 1.2846 2.3455 2.3455 2.3455 2.3455 12.6892 12.6892 12.6892 12.6892 15.3753 15.3753 15.3753 15.3753 k = 0.1736 0.1002 0.1925 ( 1218 PWs) bands (ev): -12.3069 -12.3069 -12.3069 -12.3069 0.2173 0.2173 0.2173 0.2173 1.1523 1.1523 1.1523 1.1523 2.2871 2.2871 2.2871 2.2871 12.7102 12.7102 12.7102 12.7102 15.3146 15.3146 15.3146 15.3146 k = 0.1806 0.1042 0.1925 ( 1218 PWs) bands (ev): -12.2629 -12.2629 -12.2629 -12.2629 0.2683 0.2683 0.2683 0.2683 1.0207 1.0207 1.0207 1.0207 2.2282 2.2282 2.2282 2.2282 12.7284 12.7284 12.7284 12.7284 15.2501 15.2501 15.2501 15.2501 k = 0.1875 0.1083 0.1925 ( 1220 PWs) bands (ev): -12.2175 -12.2175 -12.2175 -12.2175 0.3155 0.3155 0.3155 0.3155 0.8930 0.8930 0.8930 0.8930 2.1690 2.1690 2.1690 2.1690 12.7432 12.7432 12.7432 12.7432 15.1822 15.1822 15.1822 15.1822 k = 0.1944 0.1123 0.1925 ( 1216 PWs) bands (ev): -12.1705 -12.1705 -12.1705 -12.1705 0.3511 0.3511 0.3511 0.3511 0.7773 0.7773 0.7773 0.7773 2.1096 2.1096 2.1096 2.1096 12.7543 12.7543 12.7543 12.7543 15.1115 15.1115 15.1115 15.1115 k = 0.2014 0.1163 0.1925 ( 1220 PWs) bands (ev): -12.1221 -12.1221 -12.1221 -12.1221 0.3548 0.3548 0.3548 0.3548 0.6940 0.6940 0.6940 0.6940 2.0501 2.0501 2.0501 2.0501 12.7608 12.7608 12.7608 12.7608 15.0387 15.0387 15.0387 15.0387 k = 0.2083 0.1203 0.1925 ( 1220 PWs) bands (ev): -12.0722 -12.0722 -12.0722 -12.0722 0.2991 0.2991 0.2991 0.2991 0.6710 0.6710 0.6710 0.6710 1.9906 1.9906 1.9906 1.9906 12.7621 12.7621 12.7621 12.7621 14.9647 14.9647 14.9647 14.9647 k = 0.2153 0.1243 0.1925 ( 1220 PWs) bands (ev): -12.0209 -12.0209 -12.0209 -12.0209 0.1935 0.1935 0.1935 0.1935 0.6988 0.6988 0.6988 0.6988 1.9312 1.9312 1.9312 1.9312 12.7575 12.7575 12.7575 12.7575 14.8905 14.8905 14.8905 14.8905 k = 0.2222 0.1283 0.1925 ( 1216 PWs) bands (ev): -11.9683 -11.9683 -11.9683 -11.9683 0.0651 0.0651 0.0651 0.0651 0.7505 0.7505 0.7505 0.7505 1.8721 1.8721 1.8721 1.8721 12.7462 12.7462 12.7462 12.7462 14.8171 14.8171 14.8171 14.8171 k = 0.2292 0.1323 0.1925 ( 1220 PWs) bands (ev): -11.9143 -11.9143 -11.9143 -11.9143 -0.0729 -0.0729 -0.0729 -0.0729 0.8130 0.8130 0.8130 0.8130 1.8134 1.8134 1.8134 1.8134 12.7275 12.7275 12.7275 12.7275 14.7455 14.7455 14.7455 14.7455 k = 0.2361 0.1363 0.1925 ( 1218 PWs) bands (ev): -11.8591 -11.8591 -11.8591 -11.8591 -0.2155 -0.2155 -0.2155 -0.2155 0.8815 0.8815 0.8815 0.8815 1.7551 1.7551 1.7551 1.7551 12.7006 12.7006 12.7006 12.7006 14.6768 14.6768 14.6768 14.6768 k = 0.2431 0.1403 0.1925 ( 1214 PWs) bands (ev): -11.8026 -11.8026 -11.8026 -11.8026 -0.3605 -0.3605 -0.3605 -0.3605 0.9541 0.9541 0.9541 0.9541 1.6974 1.6974 1.6974 1.6974 12.6648 12.6648 12.6648 12.6648 14.6117 14.6117 14.6117 14.6117 k = 0.2500 0.1443 0.1925 ( 1210 PWs) bands (ev): -11.7450 -11.7450 -11.7450 -11.7450 -0.5068 -0.5068 -0.5068 -0.5068 1.0296 1.0296 1.0296 1.0296 1.6403 1.6403 1.6403 1.6403 12.6199 12.6199 12.6199 12.6199 14.5512 14.5512 14.5512 14.5512 k = 0.2569 0.1483 0.1925 ( 1210 PWs) bands (ev): -11.6862 -11.6862 -11.6862 -11.6862 -0.6538 -0.6538 -0.6538 -0.6538 1.1077 1.1077 1.1077 1.1077 1.5840 1.5840 1.5840 1.5840 12.5653 12.5653 12.5653 12.5653 14.4957 14.4957 14.4957 14.4957 k = 0.2639 0.1524 0.1925 ( 1218 PWs) bands (ev): -11.6263 -11.6263 -11.6263 -11.6263 -0.8012 -0.8012 -0.8012 -0.8012 1.1878 1.1878 1.1878 1.1878 1.5284 1.5284 1.5284 1.5284 12.5010 12.5010 12.5010 12.5010 14.4457 14.4457 14.4457 14.4457 k = 0.2708 0.1564 0.1925 ( 1218 PWs) bands (ev): -11.5654 -11.5654 -11.5654 -11.5654 -0.9483 -0.9483 -0.9483 -0.9483 1.2699 1.2699 1.2699 1.2699 1.4738 1.4738 1.4738 1.4738 12.4273 12.4273 12.4273 12.4273 14.4011 14.4011 14.4011 14.4011 k = 0.2778 0.1604 0.1925 ( 1218 PWs) bands (ev): -11.5036 -11.5036 -11.5036 -11.5036 -1.0950 -1.0950 -1.0950 -1.0950 1.3536 1.3536 1.3536 1.3536 1.4203 1.4203 1.4203 1.4203 12.3446 12.3446 12.3446 12.3446 14.3620 14.3620 14.3620 14.3620 k = 0.2847 0.1644 0.1925 ( 1222 PWs) bands (ev): -11.4409 -11.4409 -11.4409 -11.4409 -1.2411 -1.2411 -1.2411 -1.2411 1.3673 1.3673 1.3673 1.3673 1.4395 1.4395 1.4395 1.4395 12.2536 12.2536 12.2536 12.2536 14.3279 14.3279 14.3279 14.3279 k = 0.2917 0.1684 0.1925 ( 1222 PWs) bands (ev): -11.3775 -11.3775 -11.3775 -11.3775 -1.3863 -1.3863 -1.3863 -1.3863 1.3159 1.3159 1.3159 1.3159 1.5263 1.5263 1.5263 1.5263 12.1548 12.1548 12.1548 12.1548 14.2986 14.2986 14.2986 14.2986 k = 0.2986 0.1724 0.1925 ( 1222 PWs) bands (ev): -11.3133 -11.3133 -11.3133 -11.3133 -1.5304 -1.5304 -1.5304 -1.5304 1.2655 1.2655 1.2655 1.2655 1.6145 1.6145 1.6145 1.6145 12.0493 12.0493 12.0493 12.0493 14.2733 14.2733 14.2733 14.2733 k = 0.3056 0.1764 0.1925 ( 1222 PWs) bands (ev): -11.2485 -11.2485 -11.2485 -11.2485 -1.6732 -1.6732 -1.6732 -1.6732 1.2164 1.2164 1.2164 1.2164 1.7039 1.7039 1.7039 1.7039 11.9379 11.9379 11.9379 11.9379 14.2517 14.2517 14.2517 14.2517 k = 0.3125 0.1804 0.1925 ( 1224 PWs) bands (ev): -11.1832 -11.1832 -11.1832 -11.1832 -1.8145 -1.8145 -1.8145 -1.8145 1.1685 1.1685 1.1685 1.1685 1.7944 1.7944 1.7944 1.7944 11.8214 11.8214 11.8214 11.8214 14.2331 14.2331 14.2331 14.2331 k = 0.3194 0.1844 0.1925 ( 1224 PWs) bands (ev): -11.1176 -11.1176 -11.1176 -11.1176 -1.9541 -1.9541 -1.9541 -1.9541 1.1220 1.1220 1.1220 1.1220 1.8858 1.8858 1.8858 1.8858 11.7007 11.7007 11.7007 11.7007 14.2172 14.2172 14.2172 14.2172 k = 0.3264 0.1884 0.1925 ( 1224 PWs) bands (ev): -11.0516 -11.0516 -11.0516 -11.0516 -2.0917 -2.0917 -2.0917 -2.0917 1.0769 1.0769 1.0769 1.0769 1.9779 1.9779 1.9779 1.9779 11.5767 11.5767 11.5767 11.5767 14.2034 14.2034 14.2034 14.2034 k = 0.3333 0.1925 0.1925 ( 1224 PWs) bands (ev): -10.9855 -10.9855 -10.9855 -10.9855 -2.2273 -2.2273 -2.2273 -2.2273 1.0333 1.0333 1.0333 1.0333 2.0706 2.0706 2.0706 2.0706 11.4501 11.4501 11.4501 11.4501 14.1915 14.1915 14.1915 14.1915 k = 0.3403 0.1965 0.1925 ( 1224 PWs) bands (ev): -10.9194 -10.9194 -10.9194 -10.9194 -2.3605 -2.3605 -2.3605 -2.3605 0.9911 0.9911 0.9911 0.9911 2.1638 2.1638 2.1638 2.1638 11.3216 11.3216 11.3216 11.3216 14.1810 14.1810 14.1810 14.1810 k = 0.3472 0.2005 0.1925 ( 1224 PWs) bands (ev): -10.8535 -10.8535 -10.8535 -10.8535 -2.4911 -2.4911 -2.4911 -2.4911 0.9504 0.9504 0.9504 0.9504 2.2571 2.2571 2.2571 2.2571 11.1919 11.1919 11.1919 11.1919 14.1717 14.1717 14.1717 14.1717 k = 0.3542 0.2045 0.1925 ( 1228 PWs) bands (ev): -10.7878 -10.7878 -10.7878 -10.7878 -2.6189 -2.6189 -2.6189 -2.6189 0.9112 0.9112 0.9112 0.9112 2.3505 2.3505 2.3505 2.3505 11.0616 11.0616 11.0616 11.0616 14.1634 14.1634 14.1634 14.1634 k = 0.3611 0.2085 0.1925 ( 1230 PWs) bands (ev): -10.7226 -10.7226 -10.7226 -10.7226 -2.7437 -2.7437 -2.7437 -2.7437 0.8737 0.8737 0.8737 0.8737 2.4437 2.4437 2.4437 2.4437 10.9314 10.9314 10.9314 10.9314 14.1559 14.1559 14.1559 14.1559 k = 0.3681 0.2125 0.1925 ( 1230 PWs) bands (ev): -10.6582 -10.6582 -10.6582 -10.6582 -2.8653 -2.8653 -2.8653 -2.8653 0.8378 0.8378 0.8378 0.8378 2.5364 2.5364 2.5364 2.5364 10.8018 10.8018 10.8018 10.8018 14.1491 14.1491 14.1491 14.1491 k = 0.3750 0.2165 0.1925 ( 1230 PWs) bands (ev): -10.5945 -10.5945 -10.5945 -10.5945 -2.9833 -2.9833 -2.9833 -2.9833 0.8036 0.8036 0.8036 0.8036 2.6283 2.6283 2.6283 2.6283 10.6735 10.6735 10.6735 10.6735 14.1428 14.1428 14.1428 14.1428 k = 0.3819 0.2205 0.1925 ( 1228 PWs) bands (ev): -10.5320 -10.5320 -10.5320 -10.5320 -3.0975 -3.0975 -3.0975 -3.0975 0.7710 0.7710 0.7710 0.7710 2.7192 2.7192 2.7192 2.7192 10.5470 10.5470 10.5470 10.5470 14.1371 14.1371 14.1371 14.1371 k = 0.3889 0.2245 0.1925 ( 1230 PWs) bands (ev): -10.4708 -10.4708 -10.4708 -10.4708 -3.2077 -3.2077 -3.2077 -3.2077 0.7402 0.7402 0.7402 0.7402 2.8087 2.8087 2.8087 2.8087 10.4228 10.4228 10.4228 10.4228 14.1318 14.1318 14.1318 14.1318 k = 0.3958 0.2285 0.1925 ( 1228 PWs) bands (ev): -10.4112 -10.4112 -10.4112 -10.4112 -3.3136 -3.3136 -3.3136 -3.3136 0.7111 0.7111 0.7111 0.7111 2.8965 2.8965 2.8965 2.8965 10.3016 10.3016 10.3016 10.3016 14.1269 14.1269 14.1269 14.1269 k = 0.4028 0.2325 0.1925 ( 1228 PWs) bands (ev): -10.3534 -10.3534 -10.3534 -10.3534 -3.4147 -3.4147 -3.4147 -3.4147 0.6838 0.6838 0.6838 0.6838 2.9822 2.9822 2.9822 2.9822 10.1839 10.1839 10.1839 10.1839 14.1223 14.1223 14.1223 14.1223 k = 0.4097 0.2366 0.1925 ( 1232 PWs) bands (ev): -10.2977 -10.2977 -10.2977 -10.2977 -3.5110 -3.5110 -3.5110 -3.5110 0.6583 0.6583 0.6583 0.6583 3.0653 3.0653 3.0653 3.0653 10.0704 10.0704 10.0704 10.0704 14.1180 14.1180 14.1180 14.1180 k = 0.4167 0.2406 0.1925 ( 1228 PWs) bands (ev): -10.2445 -10.2445 -10.2445 -10.2445 -3.6019 -3.6019 -3.6019 -3.6019 0.6346 0.6346 0.6346 0.6346 3.1454 3.1454 3.1454 3.1454 9.9616 9.9616 9.9616 9.9616 14.1141 14.1141 14.1141 14.1141 k = 0.4236 0.2446 0.1925 ( 1228 PWs) bands (ev): -10.1939 -10.1939 -10.1939 -10.1939 -3.6873 -3.6873 -3.6873 -3.6873 0.6127 0.6127 0.6127 0.6127 3.2220 3.2220 3.2220 3.2220 9.8581 9.8581 9.8581 9.8581 14.1104 14.1104 14.1104 14.1104 k = 0.4306 0.2486 0.1925 ( 1224 PWs) bands (ev): -10.1464 -10.1464 -10.1464 -10.1464 -3.7666 -3.7666 -3.7666 -3.7666 0.5927 0.5927 0.5927 0.5927 3.2946 3.2946 3.2946 3.2946 9.7606 9.7606 9.7606 9.7606 14.1071 14.1071 14.1071 14.1071 k = 0.4375 0.2526 0.1925 ( 1228 PWs) bands (ev): -10.1021 -10.1021 -10.1021 -10.1021 -3.8397 -3.8397 -3.8397 -3.8397 0.5745 0.5745 0.5745 0.5745 3.3626 3.3626 3.3626 3.3626 9.6697 9.6697 9.6697 9.6697 14.1041 14.1041 14.1041 14.1041 k = 0.4444 0.2566 0.1925 ( 1232 PWs) bands (ev): -10.0615 -10.0615 -10.0615 -10.0615 -3.9063 -3.9063 -3.9063 -3.9063 0.5582 0.5582 0.5582 0.5582 3.4255 3.4255 3.4255 3.4255 9.5861 9.5861 9.5861 9.5861 14.1013 14.1013 14.1013 14.1013 k = 0.4514 0.2606 0.1925 ( 1232 PWs) bands (ev): -10.0248 -10.0248 -10.0248 -10.0248 -3.9658 -3.9658 -3.9658 -3.9658 0.5438 0.5438 0.5438 0.5438 3.4828 3.4828 3.4828 3.4828 9.5104 9.5104 9.5104 9.5104 14.0989 14.0989 14.0989 14.0989 k = 0.4583 0.2646 0.1925 ( 1228 PWs) bands (ev): -9.9923 -9.9923 -9.9923 -9.9923 -4.0182 -4.0182 -4.0182 -4.0182 0.5313 0.5313 0.5313 0.5313 3.5339 3.5339 3.5339 3.5339 9.4433 9.4433 9.4433 9.4433 14.0968 14.0968 14.0968 14.0968 k = 0.4653 0.2686 0.1925 ( 1228 PWs) bands (ev): -9.9643 -9.9643 -9.9643 -9.9643 -4.0630 -4.0630 -4.0630 -4.0630 0.5207 0.5207 0.5207 0.5207 3.5782 3.5782 3.5782 3.5782 9.3853 9.3853 9.3853 9.3853 14.0950 14.0950 14.0950 14.0950 k = 0.4722 0.2726 0.1925 ( 1232 PWs) bands (ev): -9.9410 -9.9410 -9.9410 -9.9410 -4.1001 -4.1001 -4.1001 -4.1001 0.5120 0.5120 0.5120 0.5120 3.6152 3.6152 3.6152 3.6152 9.3371 9.3371 9.3371 9.3371 14.0935 14.0935 14.0935 14.0935 k = 0.4792 0.2766 0.1925 ( 1236 PWs) bands (ev): -9.9227 -9.9227 -9.9227 -9.9227 -4.1292 -4.1292 -4.1292 -4.1292 0.5053 0.5053 0.5053 0.5053 3.6444 3.6444 3.6444 3.6444 9.2989 9.2989 9.2989 9.2989 14.0924 14.0924 14.0924 14.0924 k = 0.4861 0.2807 0.1925 ( 1236 PWs) bands (ev): -9.9094 -9.9094 -9.9094 -9.9094 -4.1501 -4.1501 -4.1501 -4.1501 0.5004 0.5004 0.5004 0.5004 3.6656 3.6656 3.6656 3.6656 9.2714 9.2714 9.2714 9.2714 14.0915 14.0915 14.0915 14.0915 k = 0.4931 0.2847 0.1925 ( 1236 PWs) bands (ev): -9.9014 -9.9014 -9.9014 -9.9014 -4.1627 -4.1627 -4.1627 -4.1627 0.4975 0.4975 0.4975 0.4975 3.6785 3.6785 3.6785 3.6785 9.2548 9.2548 9.2548 9.2548 14.0910 14.0910 14.0910 14.0910 k = 0.5000 0.2887 0.1925 ( 1232 PWs) bands (ev): -9.8988 -9.8988 -9.8988 -9.8988 -4.1669 -4.1669 -4.1669 -4.1669 0.4966 0.4966 0.4966 0.4966 3.6828 3.6828 3.6828 3.6828 9.2492 9.2492 9.2492 9.2492 14.0909 14.0909 14.0909 14.0909 k = 0.5000 0.2887 0.1925 ( 1232 PWs) bands (ev): -9.8988 -9.8988 -9.8988 -9.8988 -4.1669 -4.1669 -4.1669 -4.1669 0.4966 0.4966 0.4966 0.4966 3.6828 3.6828 3.6828 3.6828 9.2492 9.2492 9.2492 9.2492 14.0909 14.0909 14.0909 14.0909 k = 0.4960 0.2955 0.1925 ( 1236 PWs) bands (ev): -9.8982 -9.8982 -9.8982 -9.8982 -4.1662 -4.1662 -4.1662 -4.1662 0.4928 0.4928 0.4929 0.4929 3.6836 3.6836 3.6836 3.6836 9.2494 9.2494 9.2494 9.2494 14.0962 14.0962 14.0963 14.0963 k = 0.4921 0.3024 0.1925 ( 1236 PWs) bands (ev): -9.8965 -9.8965 -9.8964 -9.8964 -4.1640 -4.1640 -4.1639 -4.1639 0.4817 0.4817 0.4818 0.4818 3.6863 3.6863 3.6863 3.6863 9.2501 9.2501 9.2501 9.2501 14.1122 14.1122 14.1124 14.1124 k = 0.4881 0.3093 0.1925 ( 1236 PWs) bands (ev): -9.8936 -9.8936 -9.8935 -9.8935 -4.1603 -4.1603 -4.1602 -4.1602 0.4631 0.4631 0.4633 0.4633 3.6907 3.6907 3.6907 3.6907 9.2511 9.2511 9.2511 9.2511 14.1389 14.1389 14.1391 14.1391 k = 0.4841 0.3162 0.1925 ( 1238 PWs) bands (ev): -9.8896 -9.8896 -9.8895 -9.8895 -4.1551 -4.1551 -4.1551 -4.1551 0.4374 0.4374 0.4376 0.4376 3.6968 3.6968 3.6968 3.6968 9.2525 9.2525 9.2526 9.2526 14.1760 14.1760 14.1762 14.1762 k = 0.4802 0.3230 0.1925 ( 1232 PWs) bands (ev): -9.8844 -9.8844 -9.8843 -9.8843 -4.1485 -4.1485 -4.1484 -4.1484 0.4046 0.4046 0.4049 0.4049 3.7047 3.7047 3.7047 3.7047 9.2544 9.2544 9.2544 9.2544 14.2234 14.2234 14.2237 14.2237 k = 0.4762 0.3299 0.1925 ( 1232 PWs) bands (ev): -9.8781 -9.8781 -9.8780 -9.8780 -4.1404 -4.1404 -4.1403 -4.1403 0.3649 0.3649 0.3652 0.3652 3.7142 3.7142 3.7142 3.7142 9.2565 9.2565 9.2565 9.2565 14.2809 14.2809 14.2813 14.2813 k = 0.4722 0.3368 0.1925 ( 1224 PWs) bands (ev): -9.8707 -9.8707 -9.8706 -9.8706 -4.1308 -4.1308 -4.1307 -4.1307 0.3187 0.3187 0.3191 0.3191 3.7255 3.7255 3.7255 3.7255 9.2589 9.2589 9.2589 9.2589 14.3481 14.3481 14.3486 14.3486 k = 0.4683 0.3437 0.1925 ( 1226 PWs) bands (ev): -9.8622 -9.8622 -9.8621 -9.8621 -4.1197 -4.1197 -4.1196 -4.1196 0.2660 0.2660 0.2664 0.2664 3.7384 3.7384 3.7384 3.7384 9.2616 9.2616 9.2616 9.2616 14.4247 14.4247 14.4253 14.4253 k = 0.4643 0.3505 0.1925 ( 1228 PWs) bands (ev): -9.8527 -9.8527 -9.8525 -9.8525 -4.1072 -4.1072 -4.1071 -4.1071 0.2073 0.2073 0.2078 0.2078 3.7529 3.7529 3.7530 3.7530 9.2645 9.2645 9.2645 9.2645 14.5105 14.5105 14.5111 14.5111 k = 0.4603 0.3574 0.1925 ( 1228 PWs) bands (ev): -9.8421 -9.8421 -9.8420 -9.8420 -4.0932 -4.0932 -4.0931 -4.0931 0.1429 0.1429 0.1434 0.1434 3.7690 3.7690 3.7691 3.7691 9.2676 9.2676 9.2676 9.2676 14.6048 14.6048 14.6055 14.6055 k = 0.4563 0.3643 0.1925 ( 1228 PWs) bands (ev): -9.8305 -9.8305 -9.8303 -9.8303 -4.0778 -4.0778 -4.0776 -4.0776 0.0731 0.0731 0.0736 0.0736 3.7867 3.7867 3.7868 3.7868 9.2707 9.2707 9.2707 9.2707 14.7073 14.7073 14.7082 14.7082 k = 0.4524 0.3712 0.1925 ( 1224 PWs) bands (ev): -9.8180 -9.8180 -9.8178 -9.8178 -4.0609 -4.0609 -4.0607 -4.0607 -0.0017 -0.0017 -0.0011 -0.0011 3.8060 3.8060 3.8060 3.8060 9.2738 9.2738 9.2738 9.2738 14.8176 14.8176 14.8185 14.8185 k = 0.4484 0.3780 0.1925 ( 1228 PWs) bands (ev): -9.8045 -9.8045 -9.8042 -9.8042 -4.0426 -4.0426 -4.0424 -4.0424 -0.0812 -0.0812 -0.0805 -0.0805 3.8266 3.8266 3.8267 3.8267 9.2769 9.2769 9.2769 9.2769 14.9350 14.9350 14.9360 14.9360 k = 0.4444 0.3849 0.1925 ( 1224 PWs) bands (ev): -9.7901 -9.7901 -9.7898 -9.7898 -4.0228 -4.0228 -4.0226 -4.0226 -0.1649 -0.1649 -0.1641 -0.1641 3.8487 3.8487 3.8488 3.8488 9.2798 9.2798 9.2798 9.2798 15.0591 15.0591 15.0602 15.0602 k = 0.4405 0.3918 0.1925 ( 1226 PWs) bands (ev): -9.7748 -9.7748 -9.7745 -9.7745 -4.0016 -4.0016 -4.0013 -4.0013 -0.2525 -0.2525 -0.2517 -0.2517 3.8721 3.8721 3.8722 3.8722 9.2825 9.2825 9.2825 9.2825 15.1892 15.1892 15.1905 15.1905 k = 0.4365 0.3986 0.1925 ( 1218 PWs) bands (ev): -9.7587 -9.7587 -9.7585 -9.7585 -3.9790 -3.9790 -3.9787 -3.9787 -0.3434 -0.3434 -0.3425 -0.3425 3.8969 3.8969 3.8969 3.8969 9.2848 9.2848 9.2848 9.2848 15.3249 15.3249 15.3263 15.3263 k = 0.4325 0.4055 0.1925 ( 1218 PWs) bands (ev): -9.7419 -9.7419 -9.7416 -9.7416 -3.9549 -3.9549 -3.9546 -3.9546 -0.4375 -0.4375 -0.4366 -0.4366 3.9228 3.9228 3.9228 3.9228 9.2868 9.2868 9.2868 9.2868 15.4653 15.4653 15.4668 15.4668 k = 0.4286 0.4124 0.1925 ( 1222 PWs) bands (ev): -9.7244 -9.7244 -9.7241 -9.7241 -3.9295 -3.9295 -3.9291 -3.9291 -0.5343 -0.5343 -0.5333 -0.5333 3.9497 3.9497 3.9498 3.9498 9.2883 9.2883 9.2883 9.2883 15.6097 15.6097 15.6114 15.6114 k = 0.4246 0.4193 0.1925 ( 1222 PWs) bands (ev): -9.7063 -9.7063 -9.7059 -9.7059 -3.9026 -3.9026 -3.9022 -3.9022 -0.6334 -0.6334 -0.6323 -0.6323 3.9779 3.9779 3.9779 3.9779 9.2892 9.2892 9.2892 9.2892 15.7575 15.7575 15.7593 15.7593 k = 0.4206 0.4261 0.1925 ( 1222 PWs) bands (ev): -9.6876 -9.6876 -9.6872 -9.6872 -3.8744 -3.8744 -3.8740 -3.8740 -0.7344 -0.7344 -0.7333 -0.7333 4.0070 4.0070 4.0070 4.0070 9.2894 9.2894 9.2894 9.2894 15.9076 15.9076 15.9096 15.9096 k = 0.4167 0.4330 0.1925 ( 1218 PWs) bands (ev): -9.6684 -9.6684 -9.6680 -9.6680 -3.8448 -3.8448 -3.8443 -3.8443 -0.8370 -0.8370 -0.8358 -0.8358 4.0369 4.0369 4.0370 4.0370 9.2889 9.2889 9.2889 9.2889 16.0592 16.0592 16.0614 16.0614 k = 0.4127 0.4399 0.1925 ( 1226 PWs) bands (ev): -9.6488 -9.6488 -9.6484 -9.6484 -3.8139 -3.8139 -3.8134 -3.8134 -0.9408 -0.9408 -0.9395 -0.9395 4.0676 4.0676 4.0676 4.0676 9.2875 9.2875 9.2875 9.2875 16.2110 16.2110 16.2133 16.2133 k = 0.4087 0.4468 0.1925 ( 1226 PWs) bands (ev): -9.6288 -9.6288 -9.6284 -9.6284 -3.7816 -3.7816 -3.7810 -3.7810 -1.0453 -1.0453 -1.0439 -1.0439 4.0989 4.0989 4.0990 4.0990 9.2852 9.2852 9.2852 9.2852 16.3615 16.3615 16.3639 16.3639 k = 0.4048 0.4536 0.1925 ( 1226 PWs) bands (ev): -9.6087 -9.6087 -9.6083 -9.6083 -3.7481 -3.7481 -3.7474 -3.7474 -1.1503 -1.1503 -1.1488 -1.1488 4.1308 4.1308 4.1309 4.1309 9.2820 9.2820 9.2820 9.2820 16.5084 16.5084 16.5108 16.5108 k = 0.4008 0.4605 0.1925 ( 1226 PWs) bands (ev): -9.5884 -9.5884 -9.5880 -9.5880 -3.7133 -3.7133 -3.7126 -3.7126 -1.2553 -1.2553 -1.2537 -1.2537 4.1630 4.1630 4.1631 4.1631 9.2778 9.2778 9.2778 9.2778 16.6474 16.6474 16.6495 16.6495 k = 0.3968 0.4674 0.1925 ( 1222 PWs) bands (ev): -9.5680 -9.5680 -9.5676 -9.5676 -3.6772 -3.6772 -3.6764 -3.6764 -1.3599 -1.3599 -1.3583 -1.3583 4.1955 4.1955 4.1956 4.1956 9.2725 9.2725 9.2725 9.2725 16.7677 16.7677 16.7690 16.7690 k = 0.3929 0.4743 0.1925 ( 1230 PWs) bands (ev): -9.5478 -9.5478 -9.5474 -9.5474 -3.6401 -3.6401 -3.6392 -3.6392 -1.4640 -1.4640 -1.4623 -1.4623 4.2279 4.2279 4.2280 4.2280 9.2662 9.2662 9.2662 9.2662 16.8418 16.8418 16.8422 16.8422 k = 0.3889 0.4811 0.1925 ( 1230 PWs) bands (ev): -9.5277 -9.5277 -9.5273 -9.5273 -3.6018 -3.6018 -3.6008 -3.6008 -1.5670 -1.5670 -1.5651 -1.5651 4.2603 4.2603 4.2603 4.2603 9.2589 9.2589 9.2589 9.2589 16.8484 16.8484 16.8498 16.8498 k = 0.3849 0.4880 0.1925 ( 1230 PWs) bands (ev): -9.5080 -9.5080 -9.5076 -9.5076 -3.5625 -3.5625 -3.5614 -3.5614 -1.6685 -1.6685 -1.6664 -1.6664 4.2922 4.2922 4.2923 4.2923 9.2506 9.2506 9.2506 9.2506 16.8178 16.8178 16.8193 16.8193 k = 0.3810 0.4949 0.1925 ( 1232 PWs) bands (ev): -9.4888 -9.4888 -9.4883 -9.4883 -3.5223 -3.5223 -3.5210 -3.5210 -1.7681 -1.7681 -1.7659 -1.7659 4.3237 4.3237 4.3237 4.3237 9.2414 9.2414 9.2414 9.2414 16.7752 16.7752 16.7766 16.7766 k = 0.3770 0.5017 0.1925 ( 1240 PWs) bands (ev): -9.4701 -9.4701 -9.4696 -9.4696 -3.4813 -3.4813 -3.4799 -3.4799 -1.8655 -1.8655 -1.8631 -1.8631 4.3542 4.3542 4.3542 4.3542 9.2313 9.2313 9.2313 9.2313 16.7298 16.7298 16.7312 16.7312 k = 0.3730 0.5086 0.1925 ( 1244 PWs) bands (ev): -9.4522 -9.4522 -9.4517 -9.4517 -3.4397 -3.4397 -3.4381 -3.4381 -1.9601 -1.9601 -1.9575 -1.9575 4.3838 4.3838 4.3838 4.3838 9.2206 9.2206 9.2206 9.2206 16.6852 16.6852 16.6864 16.6864 k = 0.3690 0.5155 0.1925 ( 1244 PWs) bands (ev): -9.4352 -9.4352 -9.4347 -9.4347 -3.3977 -3.3977 -3.3959 -3.3959 -2.0513 -2.0513 -2.0486 -2.0486 4.4120 4.4120 4.4121 4.4121 9.2094 9.2094 9.2094 9.2094 16.6428 16.6428 16.6441 16.6441 k = 0.3651 0.5224 0.1925 ( 1236 PWs) bands (ev): -9.4192 -9.4192 -9.4187 -9.4187 -3.3556 -3.3556 -3.3535 -3.3535 -2.1387 -2.1387 -2.1356 -2.1356 4.4387 4.4387 4.4387 4.4387 9.1980 9.1980 9.1980 9.1980 16.6038 16.6038 16.6050 16.6050 k = 0.3611 0.5292 0.1925 ( 1240 PWs) bands (ev): -9.4045 -9.4045 -9.4040 -9.4040 -3.3139 -3.3139 -3.3115 -3.3115 -2.2215 -2.2215 -2.2181 -2.2181 4.4634 4.4634 4.4634 4.4634 9.1865 9.1865 9.1865 9.1865 16.5686 16.5686 16.5697 16.5697 k = 0.3571 0.5361 0.1925 ( 1240 PWs) bands (ev): -9.3912 -9.3912 -9.3907 -9.3907 -3.2732 -3.2732 -3.2705 -3.2705 -2.2987 -2.2987 -2.2950 -2.2950 4.4859 4.4859 4.4860 4.4860 9.1753 9.1753 9.1753 9.1753 16.5376 16.5376 16.5388 16.5388 k = 0.3532 0.5430 0.1925 ( 1240 PWs) bands (ev): -9.3795 -9.3795 -9.3789 -9.3789 -3.2344 -3.2344 -3.2313 -3.2313 -2.3693 -2.3693 -2.3651 -2.3651 4.5059 4.5059 4.5059 4.5059 9.1648 9.1648 9.1648 9.1648 16.5112 16.5112 16.5124 16.5124 k = 0.3492 0.5499 0.1925 ( 1240 PWs) bands (ev): -9.3695 -9.3695 -9.3689 -9.3689 -3.1987 -3.1987 -3.1950 -3.1950 -2.4317 -2.4317 -2.4271 -2.4271 4.5230 4.5230 4.5230 4.5230 9.1552 9.1552 9.1552 9.1552 16.4896 16.4896 16.4907 16.4907 k = 0.3452 0.5567 0.1925 ( 1240 PWs) bands (ev): -9.3614 -9.3614 -9.3608 -9.3608 -3.1677 -3.1677 -3.1636 -3.1636 -2.4840 -2.4840 -2.4788 -2.4788 4.5368 4.5368 4.5369 4.5369 9.1470 9.1470 9.1470 9.1470 16.4729 16.4729 16.4740 16.4740 k = 0.3413 0.5636 0.1925 ( 1236 PWs) bands (ev): -9.3554 -9.3554 -9.3549 -9.3549 -3.1436 -3.1436 -3.1389 -3.1389 -2.5238 -2.5238 -2.5181 -2.5181 4.5472 4.5472 4.5473 4.5473 9.1407 9.1407 9.1407 9.1407 16.4610 16.4610 16.4621 16.4621 k = 0.3373 0.5705 0.1925 ( 1236 PWs) bands (ev): -9.3517 -9.3517 -9.3511 -9.3511 -3.1283 -3.1283 -3.1233 -3.1233 -2.5488 -2.5488 -2.5427 -2.5427 4.5536 4.5536 4.5537 4.5537 9.1365 9.1365 9.1365 9.1365 16.4540 16.4540 16.4550 16.4550 k = 0.3333 0.5774 0.1925 ( 1236 PWs) bands (ev): -9.3504 -9.3504 -9.3499 -9.3499 -3.1232 -3.1232 -3.1180 -3.1180 -2.5572 -2.5572 -2.5510 -2.5510 4.5558 4.5558 4.5559 4.5559 9.1350 9.1350 9.1350 9.1350 16.4516 16.4516 16.4527 16.4527 k = 0.3333 0.5774 0.1925 ( 1236 PWs) bands (ev): -9.3504 -9.3504 -9.3499 -9.3499 -3.1232 -3.1232 -3.1180 -3.1180 -2.5572 -2.5572 -2.5510 -2.5510 4.5558 4.5558 4.5559 4.5559 9.1350 9.1350 9.1350 9.1350 16.4516 16.4516 16.4527 16.4527 k = 0.3293 0.5704 0.1925 ( 1236 PWs) bands (ev): -9.3518 -9.3518 -9.3512 -9.3512 -3.1280 -3.1280 -3.1229 -3.1229 -2.5489 -2.5489 -2.5429 -2.5429 4.5535 4.5535 4.5535 4.5535 9.1367 9.1367 9.1367 9.1367 16.4539 16.4539 16.4550 16.4550 k = 0.3253 0.5634 0.1925 ( 1236 PWs) bands (ev): -9.3559 -9.3559 -9.3554 -9.3554 -3.1408 -3.1408 -3.1361 -3.1361 -2.5258 -2.5258 -2.5201 -2.5201 4.5462 4.5462 4.5463 4.5463 9.1419 9.1419 9.1420 9.1420 16.4606 16.4606 16.4617 16.4617 k = 0.3213 0.5565 0.1925 ( 1236 PWs) bands (ev): -9.3631 -9.3631 -9.3625 -9.3625 -3.1586 -3.1586 -3.1543 -3.1543 -2.4907 -2.4907 -2.4854 -2.4854 4.5339 4.5339 4.5339 4.5339 9.1512 9.1512 9.1512 9.1512 16.4714 16.4714 16.4725 16.4725 k = 0.3173 0.5495 0.1925 ( 1240 PWs) bands (ev): -9.3732 -9.3732 -9.3727 -9.3727 -3.1784 -3.1784 -3.1746 -3.1746 -2.4464 -2.4464 -2.4415 -2.4415 4.5161 4.5161 4.5162 4.5162 9.1648 9.1648 9.1648 9.1648 16.4857 16.4857 16.4868 16.4868 k = 0.3133 0.5426 0.1925 ( 1236 PWs) bands (ev): -9.3866 -9.3866 -9.3861 -9.3861 -3.1980 -3.1980 -3.1945 -3.1945 -2.3952 -2.3952 -2.3907 -2.3907 4.4930 4.4930 4.4931 4.4931 9.1831 9.1831 9.1831 9.1831 16.5033 16.5033 16.5044 16.5044 k = 0.3092 0.5356 0.1925 ( 1240 PWs) bands (ev): -9.4032 -9.4032 -9.4027 -9.4027 -3.2156 -3.2156 -3.2124 -3.2124 -2.3388 -2.3388 -2.3346 -2.3346 4.4643 4.4643 4.4644 4.4644 9.2064 9.2064 9.2064 9.2064 16.5233 16.5233 16.5244 16.5244 k = 0.3052 0.5287 0.1925 ( 1240 PWs) bands (ev): -9.4231 -9.4231 -9.4226 -9.4226 -3.2299 -3.2299 -3.2271 -3.2271 -2.2782 -2.2782 -2.2743 -2.2743 4.4301 4.4301 4.4301 4.4301 9.2348 9.2348 9.2348 9.2348 16.5452 16.5452 16.5463 16.5463 k = 0.3012 0.5217 0.1925 ( 1238 PWs) bands (ev): -9.4464 -9.4464 -9.4459 -9.4459 -3.2402 -3.2402 -3.2376 -3.2376 -2.2142 -2.2142 -2.2106 -2.2106 4.3904 4.3904 4.3904 4.3904 9.2685 9.2685 9.2685 9.2685 16.5681 16.5681 16.5691 16.5691 k = 0.2972 0.5147 0.1925 ( 1238 PWs) bands (ev): -9.4730 -9.4730 -9.4725 -9.4725 -3.2458 -3.2458 -3.2434 -3.2434 -2.1474 -2.1474 -2.1441 -2.1441 4.3452 4.3452 4.3452 4.3452 9.3076 9.3076 9.3076 9.3076 16.5909 16.5909 16.5919 16.5919 k = 0.2932 0.5078 0.1925 ( 1238 PWs) bands (ev): -9.5030 -9.5030 -9.5025 -9.5025 -3.2463 -3.2463 -3.2441 -3.2441 -2.0782 -2.0782 -2.0751 -2.0751 4.2947 4.2947 4.2947 4.2947 9.3522 9.3522 9.3522 9.3522 16.6128 16.6128 16.6137 16.6137 k = 0.2892 0.5008 0.1925 ( 1242 PWs) bands (ev): -9.5363 -9.5363 -9.5358 -9.5358 -3.2416 -3.2416 -3.2395 -3.2395 -2.0069 -2.0069 -2.0039 -2.0039 4.2390 4.2390 4.2391 4.2391 9.4021 9.4021 9.4021 9.4021 16.6323 16.6323 16.6331 16.6331 k = 0.2851 0.4939 0.1925 ( 1242 PWs) bands (ev): -9.5728 -9.5728 -9.5723 -9.5723 -3.2313 -3.2313 -3.2294 -3.2294 -1.9337 -1.9337 -1.9308 -1.9308 4.1786 4.1786 4.1786 4.1786 9.4574 9.4574 9.4574 9.4574 16.6482 16.6482 16.6489 16.6489 k = 0.2811 0.4869 0.1925 ( 1238 PWs) bands (ev): -9.6124 -9.6124 -9.6120 -9.6120 -3.2155 -3.2155 -3.2137 -3.2137 -1.8587 -1.8587 -1.8560 -1.8560 4.1135 4.1135 4.1135 4.1135 9.5179 9.5179 9.5179 9.5179 16.6591 16.6591 16.6597 16.6597 k = 0.2771 0.4800 0.1925 ( 1234 PWs) bands (ev): -9.6551 -9.6551 -9.6546 -9.6546 -3.1941 -3.1941 -3.1924 -3.1924 -1.7821 -1.7821 -1.7795 -1.7795 4.0440 4.0440 4.0441 4.0441 9.5834 9.5834 9.5834 9.5834 16.6638 16.6638 16.6642 16.6642 k = 0.2731 0.4730 0.1925 ( 1238 PWs) bands (ev): -9.7007 -9.7007 -9.7002 -9.7002 -3.1672 -3.1672 -3.1656 -3.1656 -1.7040 -1.7040 -1.7015 -1.7015 3.9705 3.9705 3.9705 3.9705 9.6539 9.6539 9.6539 9.6539 16.6612 16.6612 16.6614 16.6614 k = 0.2691 0.4661 0.1925 ( 1238 PWs) bands (ev): -9.7490 -9.7490 -9.7486 -9.7486 -3.1347 -3.1347 -3.1332 -3.1332 -1.6244 -1.6244 -1.6220 -1.6220 3.8933 3.8933 3.8934 3.8934 9.7290 9.7290 9.7290 9.7290 16.6504 16.6504 16.6506 16.6506 k = 0.2651 0.4591 0.1925 ( 1234 PWs) bands (ev): -9.7999 -9.7999 -9.7995 -9.7995 -3.0969 -3.0969 -3.0954 -3.0954 -1.5435 -1.5435 -1.5412 -1.5412 3.8128 3.8128 3.8128 3.8128 9.8086 9.8086 9.8086 9.8086 16.6311 16.6311 16.6316 16.6316 k = 0.2610 0.4521 0.1925 ( 1234 PWs) bands (ev): -9.8533 -9.8533 -9.8529 -9.8529 -3.0537 -3.0537 -3.0523 -3.0523 -1.4614 -1.4614 -1.4592 -1.4592 3.7291 3.7291 3.7292 3.7292 9.8925 9.8925 9.8925 9.8925 16.6036 16.6036 16.6043 16.6043 k = 0.2570 0.4452 0.1925 ( 1234 PWs) bands (ev): -9.9089 -9.9089 -9.9086 -9.9086 -3.0054 -3.0054 -3.0040 -3.0040 -1.3781 -1.3781 -1.3759 -1.3759 3.6427 3.6427 3.6428 3.6428 9.9803 9.9803 9.9803 9.9803 16.5682 16.5682 16.5692 16.5692 k = 0.2530 0.4382 0.1925 ( 1238 PWs) bands (ev): -9.9666 -9.9666 -9.9663 -9.9663 -2.9522 -2.9522 -2.9508 -2.9508 -1.2936 -1.2936 -1.2915 -1.2915 3.5539 3.5539 3.5539 3.5539 10.0718 10.0718 10.0718 10.0718 16.5259 16.5259 16.5270 16.5270 k = 0.2490 0.4313 0.1925 ( 1238 PWs) bands (ev): -10.0263 -10.0263 -10.0259 -10.0259 -2.8940 -2.8940 -2.8927 -2.8927 -1.2081 -1.2081 -1.2060 -1.2060 3.4629 3.4629 3.4629 3.4629 10.1668 10.1668 10.1668 10.1668 16.4774 16.4774 16.4787 16.4787 k = 0.2450 0.4243 0.1925 ( 1236 PWs) bands (ev): -10.0876 -10.0876 -10.0873 -10.0873 -2.8312 -2.8312 -2.8299 -2.8299 -1.1215 -1.1215 -1.1195 -1.1195 3.3701 3.3701 3.3701 3.3701 10.2650 10.2650 10.2650 10.2650 16.4237 16.4237 16.4252 16.4252 k = 0.2410 0.4174 0.1925 ( 1232 PWs) bands (ev): -10.1505 -10.1505 -10.1502 -10.1502 -2.7639 -2.7639 -2.7626 -2.7626 -1.0339 -1.0339 -1.0319 -1.0319 3.2757 3.2757 3.2758 3.2758 10.3662 10.3662 10.3662 10.3662 16.3657 16.3657 16.3673 16.3673 k = 0.2369 0.4104 0.1925 ( 1232 PWs) bands (ev): -10.2147 -10.2147 -10.2144 -10.2144 -2.6922 -2.6922 -2.6909 -2.6909 -0.9453 -0.9453 -0.9434 -0.9434 3.1799 3.1799 3.1800 3.1800 10.4700 10.4700 10.4700 10.4700 16.3041 16.3041 16.3059 16.3059 k = 0.2329 0.4034 0.1925 ( 1236 PWs) bands (ev): -10.2801 -10.2801 -10.2798 -10.2798 -2.6164 -2.6164 -2.6152 -2.6152 -0.8560 -0.8560 -0.8541 -0.8541 3.0832 3.0832 3.0832 3.0832 10.5762 10.5762 10.5762 10.5762 16.2398 16.2398 16.2416 16.2416 k = 0.2289 0.3965 0.1925 ( 1246 PWs) bands (ev): -10.3465 -10.3465 -10.3463 -10.3463 -2.5366 -2.5366 -2.5354 -2.5354 -0.7658 -0.7658 -0.7640 -0.7640 2.9854 2.9854 2.9855 2.9855 10.6844 10.6844 10.6844 10.6844 16.1734 16.1734 16.1752 16.1752 k = 0.2249 0.3895 0.1925 ( 1250 PWs) bands (ev): -10.4138 -10.4138 -10.4135 -10.4135 -2.4530 -2.4530 -2.4519 -2.4519 -0.6749 -0.6749 -0.6731 -0.6731 2.8872 2.8872 2.8873 2.8873 10.7945 10.7945 10.7945 10.7945 16.1055 16.1055 16.1073 16.1073 k = 0.2209 0.3826 0.1925 ( 1250 PWs) bands (ev): -10.4817 -10.4817 -10.4815 -10.4815 -2.3658 -2.3658 -2.3646 -2.3646 -0.5832 -0.5832 -0.5815 -0.5815 2.7886 2.7886 2.7887 2.7887 10.9061 10.9061 10.9061 10.9061 16.0368 16.0368 16.0386 16.0386 k = 0.2169 0.3756 0.1925 ( 1250 PWs) bands (ev): -10.5502 -10.5502 -10.5500 -10.5500 -2.2750 -2.2750 -2.2739 -2.2739 -0.4909 -0.4909 -0.4892 -0.4892 2.6899 2.6899 2.6899 2.6899 11.0189 11.0189 11.0189 11.0189 15.9676 15.9676 15.9694 15.9694 k = 0.2129 0.3687 0.1925 ( 1238 PWs) bands (ev): -10.6190 -10.6190 -10.6188 -10.6188 -2.1809 -2.1809 -2.1798 -2.1798 -0.3980 -0.3980 -0.3963 -0.3963 2.5911 2.5911 2.5912 2.5912 11.1325 11.1325 11.1325 11.1325 15.8986 15.8986 15.9004 15.9004 k = 0.2088 0.3617 0.1925 ( 1234 PWs) bands (ev): -10.6881 -10.6881 -10.6879 -10.6879 -2.0837 -2.0837 -2.0826 -2.0826 -0.3045 -0.3045 -0.3029 -0.3029 2.4925 2.4925 2.4926 2.4926 11.2467 11.2467 11.2467 11.2467 15.8301 15.8301 15.8318 15.8318 k = 0.2048 0.3548 0.1925 ( 1228 PWs) bands (ev): -10.7573 -10.7573 -10.7571 -10.7571 -1.9835 -1.9835 -1.9824 -1.9824 -0.2106 -0.2106 -0.2090 -0.2090 2.3942 2.3942 2.3943 2.3943 11.3610 11.3610 11.3610 11.3610 15.7626 15.7626 15.7643 15.7643 k = 0.2008 0.3478 0.1925 ( 1234 PWs) bands (ev): -10.8265 -10.8265 -10.8264 -10.8264 -1.8806 -1.8806 -1.8795 -1.8795 -0.1163 -0.1163 -0.1148 -0.1148 2.2964 2.2964 2.2965 2.2965 11.4750 11.4750 11.4750 11.4750 15.6965 15.6965 15.6981 15.6981 k = 0.1968 0.3408 0.1925 ( 1234 PWs) bands (ev): -10.8956 -10.8956 -10.8954 -10.8954 -1.7749 -1.7749 -1.7738 -1.7738 -0.0217 -0.0217 -0.0202 -0.0202 2.1992 2.1992 2.1993 2.1993 11.5883 11.5883 11.5884 11.5884 15.6323 15.6323 15.6339 15.6339 k = 0.1928 0.3339 0.1925 ( 1234 PWs) bands (ev): -10.9644 -10.9644 -10.9643 -10.9643 -1.6667 -1.6667 -1.6656 -1.6656 0.0732 0.0732 0.0746 0.0746 2.1028 2.1028 2.1029 2.1029 11.7005 11.7005 11.7005 11.7005 15.5706 15.5706 15.5721 15.5721 k = 0.1888 0.3269 0.1925 ( 1234 PWs) bands (ev): -11.0329 -11.0329 -11.0328 -11.0328 -1.5561 -1.5561 -1.5551 -1.5551 0.1683 0.1683 0.1696 0.1696 2.0073 2.0073 2.0074 2.0074 11.8110 11.8110 11.8110 11.8110 15.5117 15.5117 15.5132 15.5132 k = 0.1847 0.3200 0.1925 ( 1234 PWs) bands (ev): -11.1010 -11.1010 -11.1009 -11.1009 -1.4433 -1.4433 -1.4423 -1.4423 0.2634 0.2634 0.2648 0.2648 1.9128 1.9128 1.9129 1.9129 11.9192 11.9192 11.9193 11.9193 15.4562 15.4562 15.4576 15.4576 k = 0.1807 0.3130 0.1925 ( 1234 PWs) bands (ev): -11.1685 -11.1685 -11.1684 -11.1684 -1.3284 -1.3284 -1.3274 -1.3274 0.3586 0.3586 0.3599 0.3599 1.8195 1.8195 1.8196 1.8196 12.0247 12.0247 12.0247 12.0247 15.4048 15.4048 15.4061 15.4061 k = 0.1767 0.3061 0.1925 ( 1234 PWs) bands (ev): -11.2354 -11.2354 -11.2353 -11.2353 -1.2116 -1.2116 -1.2106 -1.2106 0.4537 0.4537 0.4549 0.4549 1.7275 1.7275 1.7276 1.7276 12.1265 12.1265 12.1266 12.1266 15.3579 15.3579 15.3591 15.3591 k = 0.1727 0.2991 0.1925 ( 1230 PWs) bands (ev): -11.3016 -11.3016 -11.3015 -11.3015 -1.0930 -1.0930 -1.0920 -1.0920 0.5486 0.5486 0.5497 0.5497 1.6370 1.6370 1.6371 1.6371 12.2242 12.2242 12.2242 12.2242 15.3162 15.3162 15.3174 15.3174 k = 0.1687 0.2922 0.1925 ( 1230 PWs) bands (ev): -11.3670 -11.3670 -11.3669 -11.3669 -0.9728 -0.9728 -0.9719 -0.9719 0.6430 0.6430 0.6441 0.6441 1.5481 1.5481 1.5483 1.5483 12.3169 12.3169 12.3169 12.3169 15.2804 15.2804 15.2815 15.2815 k = 0.1647 0.2852 0.1925 ( 1226 PWs) bands (ev): -11.4316 -11.4316 -11.4315 -11.4315 -0.8512 -0.8512 -0.8503 -0.8503 0.7369 0.7369 0.7379 0.7379 1.4611 1.4611 1.4614 1.4614 12.4038 12.4038 12.4039 12.4039 15.2511 15.2511 15.2522 15.2522 k = 0.1606 0.2782 0.1925 ( 1230 PWs) bands (ev): -11.4952 -11.4952 -11.4951 -11.4951 -0.7284 -0.7284 -0.7275 -0.7275 0.8296 0.8296 0.8305 0.8305 1.3766 1.3766 1.3769 1.3769 12.4842 12.4842 12.4842 12.4842 15.2290 15.2290 15.2300 15.2300 k = 0.1566 0.2713 0.1925 ( 1230 PWs) bands (ev): -11.5579 -11.5579 -11.5578 -11.5578 -0.6045 -0.6045 -0.6036 -0.6036 0.9202 0.9202 0.9208 0.9208 1.2956 1.2956 1.2960 1.2960 12.5572 12.5572 12.5573 12.5573 15.2147 15.2147 15.2156 15.2156 k = 0.1526 0.2643 0.1925 ( 1226 PWs) bands (ev): -11.6195 -11.6195 -11.6194 -11.6194 -0.4797 -0.4797 -0.4789 -0.4789 1.0044 1.0044 1.0046 1.0046 1.2223 1.2223 1.2232 1.2232 12.6223 12.6223 12.6224 12.6224 15.2087 15.2087 15.2095 15.2095 k = 0.1486 0.2574 0.1925 ( 1230 PWs) bands (ev): -11.6801 -11.6801 -11.6800 -11.6800 -0.3546 -0.3546 -0.3538 -0.3538 1.0550 1.0550 1.0559 1.0559 1.1834 1.1834 1.1854 1.1854 12.6788 12.6788 12.6789 12.6789 15.2114 15.2114 15.2121 15.2121 k = 0.1446 0.2504 0.1925 ( 1230 PWs) bands (ev): -11.7394 -11.7394 -11.7394 -11.7394 -0.2293 -0.2293 -0.2285 -0.2285 1.0210 1.0210 1.0218 1.0218 1.2320 1.2320 1.2338 1.2338 12.7264 12.7264 12.7265 12.7265 15.2229 15.2229 15.2236 15.2236 k = 0.1406 0.2435 0.1925 ( 1230 PWs) bands (ev): -11.7976 -11.7976 -11.7976 -11.7976 -0.1045 -0.1045 -0.1038 -0.1038 0.9560 0.9560 0.9566 0.9566 1.3137 1.3137 1.3152 1.3152 12.7648 12.7648 12.7650 12.7650 15.2433 15.2433 15.2438 15.2438 k = 0.1365 0.2365 0.1925 ( 1222 PWs) bands (ev): -11.8546 -11.8546 -11.8545 -11.8545 0.0189 0.0189 0.0196 0.0196 0.8887 0.8887 0.8892 0.8892 1.4007 1.4007 1.4020 1.4020 12.7943 12.7943 12.7945 12.7945 15.2721 15.2721 15.2725 15.2725 k = 0.1325 0.2295 0.1925 ( 1218 PWs) bands (ev): -11.9102 -11.9102 -11.9102 -11.9102 0.1390 0.1390 0.1396 0.1396 0.8251 0.8251 0.8256 0.8256 1.4884 1.4884 1.4896 1.4896 12.8151 12.8151 12.8152 12.8152 15.3087 15.3087 15.3091 15.3091 k = 0.1285 0.2226 0.1925 ( 1218 PWs) bands (ev): -11.9645 -11.9645 -11.9645 -11.9645 0.2517 0.2517 0.2522 0.2522 0.7703 0.7703 0.7708 0.7708 1.5758 1.5758 1.5769 1.5769 12.8276 12.8276 12.8278 12.8278 15.3523 15.3523 15.3525 15.3525 k = 0.1245 0.2156 0.1925 ( 1218 PWs) bands (ev): -12.0175 -12.0175 -12.0175 -12.0175 0.3470 0.3470 0.3473 0.3473 0.7345 0.7345 0.7351 0.7351 1.6623 1.6623 1.6634 1.6634 12.8326 12.8326 12.8328 12.8328 15.4018 15.4018 15.4019 15.4019 k = 0.1205 0.2087 0.1925 ( 1210 PWs) bands (ev): -12.0691 -12.0691 -12.0690 -12.0690 0.4034 0.4034 0.4035 0.4035 0.7393 0.7393 0.7401 0.7401 1.7478 1.7478 1.7488 1.7488 12.8308 12.8308 12.8310 12.8310 15.4558 15.4558 15.4558 15.4558 k = 0.1165 0.2017 0.1925 ( 1210 PWs) bands (ev): -12.1192 -12.1192 -12.1192 -12.1192 0.4061 0.4061 0.4062 0.4062 0.7992 0.7992 0.8001 0.8001 1.8319 1.8319 1.8329 1.8329 12.8230 12.8230 12.8232 12.8232 15.5128 15.5128 15.5130 15.5130 k = 0.1124 0.1948 0.1925 ( 1210 PWs) bands (ev): -12.1679 -12.1679 -12.1679 -12.1679 0.3738 0.3738 0.3738 0.3738 0.8958 0.8958 0.8967 0.8967 1.9145 1.9145 1.9154 1.9154 12.8101 12.8101 12.8103 12.8103 15.5710 15.5710 15.5714 15.5714 k = 0.1084 0.1878 0.1925 ( 1210 PWs) bands (ev): -12.2151 -12.2151 -12.2151 -12.2151 0.3271 0.3271 0.3271 0.3271 1.0080 1.0080 1.0088 1.0088 1.9956 1.9956 1.9965 1.9965 12.7927 12.7927 12.7929 12.7929 15.6284 15.6284 15.6290 15.6290 k = 0.1044 0.1809 0.1925 ( 1210 PWs) bands (ev): -12.2608 -12.2608 -12.2607 -12.2607 0.2754 0.2754 0.2754 0.2754 1.1265 1.1265 1.1273 1.1273 2.0749 2.0749 2.0758 2.0758 12.7717 12.7717 12.7719 12.7719 15.6822 15.6822 15.6830 15.6830 k = 0.1004 0.1739 0.1925 ( 1210 PWs) bands (ev): -12.3049 -12.3049 -12.3049 -12.3049 0.2222 0.2222 0.2222 0.2222 1.2474 1.2474 1.2481 1.2481 2.1524 2.1524 2.1532 2.1532 12.7478 12.7478 12.7480 12.7480 15.7290 15.7290 15.7301 15.7301 k = 0.0964 0.1669 0.1925 ( 1210 PWs) bands (ev): -12.3475 -12.3475 -12.3474 -12.3474 0.1692 0.1692 0.1692 0.1692 1.3689 1.3689 1.3696 1.3696 2.2280 2.2280 2.2287 2.2287 12.7214 12.7214 12.7216 12.7216 15.7658 15.7658 15.7670 15.7670 k = 0.0924 0.1600 0.1925 ( 1210 PWs) bands (ev): -12.3884 -12.3884 -12.3884 -12.3884 0.1172 0.1172 0.1172 0.1172 1.4900 1.4900 1.4906 1.4906 2.3014 2.3014 2.3021 2.3021 12.6932 12.6932 12.6933 12.6933 15.7909 15.7909 15.7922 15.7922 k = 0.0884 0.1530 0.1925 ( 1214 PWs) bands (ev): -12.4278 -12.4278 -12.4278 -12.4278 0.0666 0.0666 0.0666 0.0666 1.6100 1.6100 1.6106 1.6106 2.3727 2.3727 2.3734 2.3734 12.6635 12.6635 12.6636 12.6636 15.8059 15.8059 15.8071 15.8071 k = 0.0843 0.1461 0.1925 ( 1214 PWs) bands (ev): -12.4655 -12.4655 -12.4655 -12.4655 0.0178 0.0178 0.0178 0.0178 1.7285 1.7285 1.7290 1.7290 2.4417 2.4417 2.4423 2.4423 12.6328 12.6328 12.6330 12.6330 15.8139 15.8139 15.8149 15.8149 k = 0.0803 0.1391 0.1925 ( 1220 PWs) bands (ev): -12.5016 -12.5016 -12.5016 -12.5016 -0.0293 -0.0293 -0.0293 -0.0293 1.8448 1.8448 1.8454 1.8454 2.5083 2.5083 2.5089 2.5089 12.6015 12.6015 12.6017 12.6017 15.8179 15.8179 15.8187 15.8187 k = 0.0763 0.1322 0.1925 ( 1220 PWs) bands (ev): -12.5361 -12.5361 -12.5361 -12.5361 -0.0743 -0.0743 -0.0743 -0.0743 1.9588 1.9588 1.9594 1.9594 2.5723 2.5723 2.5729 2.5729 12.5699 12.5699 12.5701 12.5701 15.8202 15.8202 15.8207 15.8207 k = 0.0723 0.1252 0.1925 ( 1212 PWs) bands (ev): -12.5688 -12.5688 -12.5688 -12.5688 -0.1173 -0.1173 -0.1173 -0.1173 2.0702 2.0702 2.0707 2.0707 2.6339 2.6339 2.6344 2.6344 12.5383 12.5383 12.5384 12.5384 15.8219 15.8219 15.8223 15.8223 k = 0.0683 0.1183 0.1925 ( 1212 PWs) bands (ev): -12.5999 -12.5999 -12.5999 -12.5999 -0.1581 -0.1581 -0.1581 -0.1581 2.1783 2.1783 2.1788 2.1788 2.6926 2.6926 2.6931 2.6931 12.5069 12.5069 12.5070 12.5070 15.8239 15.8239 15.8242 15.8242 k = 0.0643 0.1113 0.1925 ( 1210 PWs) bands (ev): -12.6292 -12.6292 -12.6292 -12.6292 -0.1968 -0.1968 -0.1968 -0.1968 2.2830 2.2830 2.2834 2.2834 2.7486 2.7486 2.7491 2.7491 12.4760 12.4760 12.4761 12.4761 15.8266 15.8266 15.8268 15.8268 k = 0.0602 0.1043 0.1925 ( 1210 PWs) bands (ev): -12.6568 -12.6568 -12.6568 -12.6568 -0.2332 -0.2332 -0.2332 -0.2332 2.3838 2.3838 2.3842 2.3842 2.8017 2.8017 2.8021 2.8021 12.4457 12.4457 12.4458 12.4458 15.8301 15.8301 15.8303 15.8303 k = 0.0562 0.0974 0.1925 ( 1210 PWs) bands (ev): -12.6827 -12.6827 -12.6827 -12.6827 -0.2674 -0.2674 -0.2674 -0.2674 2.4804 2.4804 2.4808 2.4808 2.8517 2.8517 2.8521 2.8521 12.4163 12.4163 12.4163 12.4163 15.8347 15.8347 15.8348 15.8348 k = 0.0522 0.0904 0.1925 ( 1210 PWs) bands (ev): -12.7069 -12.7069 -12.7069 -12.7069 -0.2993 -0.2993 -0.2993 -0.2993 2.5724 2.5724 2.5728 2.5728 2.8988 2.8988 2.8991 2.8991 12.3879 12.3879 12.3879 12.3879 15.8401 15.8401 15.8402 15.8402 k = 0.0482 0.0835 0.1925 ( 1206 PWs) bands (ev): -12.7293 -12.7293 -12.7293 -12.7293 -0.3290 -0.3290 -0.3290 -0.3290 2.6595 2.6595 2.6599 2.6599 2.9427 2.9427 2.9430 2.9430 12.3607 12.3607 12.3608 12.3608 15.8464 15.8464 15.8465 15.8465 k = 0.0442 0.0765 0.1925 ( 1206 PWs) bands (ev): -12.7499 -12.7499 -12.7499 -12.7499 -0.3563 -0.3563 -0.3563 -0.3563 2.7413 2.7413 2.7416 2.7416 2.9833 2.9833 2.9836 2.9836 12.3350 12.3350 12.3350 12.3350 15.8534 15.8534 15.8534 15.8534 k = 0.0402 0.0696 0.1925 ( 1206 PWs) bands (ev): -12.7688 -12.7688 -12.7688 -12.7688 -0.3813 -0.3813 -0.3813 -0.3813 2.8174 2.8174 2.8177 2.8177 3.0207 3.0207 3.0210 3.0210 12.3108 12.3108 12.3108 12.3108 15.8609 15.8609 15.8609 15.8609 k = 0.0361 0.0626 0.1925 ( 1210 PWs) bands (ev): -12.7859 -12.7859 -12.7859 -12.7859 -0.4039 -0.4039 -0.4039 -0.4039 2.8875 2.8875 2.8878 2.8878 3.0546 3.0546 3.0549 3.0549 12.2883 12.2883 12.2883 12.2883 15.8687 15.8687 15.8687 15.8687 k = 0.0321 0.0556 0.1925 ( 1210 PWs) bands (ev): -12.8012 -12.8012 -12.8012 -12.8012 -0.4242 -0.4242 -0.4242 -0.4242 2.9513 2.9513 2.9515 2.9515 3.0853 3.0853 3.0855 3.0855 12.2677 12.2677 12.2677 12.2677 15.8766 15.8766 15.8766 15.8766 k = 0.0281 0.0487 0.1925 ( 1206 PWs) bands (ev): -12.8147 -12.8147 -12.8147 -12.8147 -0.4421 -0.4421 -0.4421 -0.4421 3.0085 3.0085 3.0086 3.0086 3.1125 3.1125 3.1126 3.1126 12.2491 12.2491 12.2491 12.2491 15.8844 15.8844 15.8844 15.8844 k = 0.0241 0.0417 0.1925 ( 1214 PWs) bands (ev): -12.8265 -12.8265 -12.8265 -12.8265 -0.4577 -0.4577 -0.4577 -0.4577 3.0585 3.0585 3.0586 3.0586 3.1361 3.1361 3.1363 3.1363 12.2326 12.2326 12.2326 12.2326 15.8916 15.8916 15.8917 15.8917 k = 0.0201 0.0348 0.1925 ( 1214 PWs) bands (ev): -12.8364 -12.8364 -12.8364 -12.8364 -0.4708 -0.4708 -0.4708 -0.4708 3.1012 3.1012 3.1013 3.1013 3.1564 3.1564 3.1565 3.1565 12.2185 12.2185 12.2185 12.2185 15.8983 15.8983 15.8983 15.8983 k = 0.0161 0.0278 0.1925 ( 1214 PWs) bands (ev): -12.8446 -12.8446 -12.8446 -12.8446 -0.4816 -0.4816 -0.4816 -0.4816 3.1363 3.1363 3.1364 3.1364 3.1732 3.1732 3.1733 3.1733 12.2068 12.2068 12.2068 12.2068 15.9041 15.9041 15.9042 15.9042 k = 0.0120 0.0209 0.1925 ( 1218 PWs) bands (ev): -12.8509 -12.8509 -12.8509 -12.8509 -0.4900 -0.4900 -0.4900 -0.4900 3.1634 3.1634 3.1634 3.1634 3.1868 3.1868 3.1868 3.1868 12.1975 12.1975 12.1975 12.1975 15.9088 15.9088 15.9088 15.9088 k = 0.0080 0.0139 0.1925 ( 1214 PWs) bands (ev): -12.8554 -12.8554 -12.8554 -12.8554 -0.4960 -0.4960 -0.4960 -0.4960 3.1820 3.1820 3.1820 3.1820 3.1975 3.1975 3.1975 3.1975 12.1909 12.1909 12.1909 12.1909 15.9121 15.9121 15.9122 15.9122 k = 0.0040 0.0070 0.1925 ( 1214 PWs) bands (ev): -12.8581 -12.8581 -12.8581 -12.8581 -0.4996 -0.4996 -0.4996 -0.4996 3.1920 3.1920 3.1920 3.1920 3.2050 3.2050 3.2051 3.2051 12.1868 12.1868 12.1868 12.1868 15.9133 15.9133 15.9133 15.9133 k = 0.0000 0.0000 0.1925 ( 1250 PWs) bands (ev): -12.8591 -12.8591 -12.8591 -12.8591 -0.5009 -0.5009 -0.5009 -0.5009 3.1947 3.1947 3.1947 3.1947 3.2076 3.2076 3.2076 3.2076 12.1854 12.1854 12.1854 12.1854 15.9123 15.9123 15.9125 15.9179 k = 0.5000 0.2887 0.1925 ( 1232 PWs) bands (ev): -9.8988 -9.8988 -9.8988 -9.8988 -4.1669 -4.1669 -4.1669 -4.1669 0.4966 0.4966 0.4966 0.4966 3.6828 3.6828 3.6828 3.6828 9.2492 9.2492 9.2492 9.2492 14.0909 14.0909 14.0909 14.0909 k = 0.5000 0.2887 0.1845 ( 1236 PWs) bands (ev): -9.9014 -9.9014 -9.8962 -9.8962 -4.1693 -4.1693 -4.1644 -4.1644 0.4941 0.4941 0.4990 0.4990 3.6472 3.6472 3.7182 3.7182 9.2049 9.2049 9.2955 9.2955 14.0820 14.0820 14.0984 14.0984 k = 0.5000 0.2887 0.1764 ( 1236 PWs) bands (ev): -9.9039 -9.9039 -9.8936 -9.8936 -4.1716 -4.1716 -4.1619 -4.1619 0.4917 0.4917 0.5014 0.5014 3.6116 3.6116 3.7532 3.7532 9.1626 9.1626 9.3434 9.3434 14.0717 14.0717 14.1048 14.1048 k = 0.5000 0.2887 0.1684 ( 1232 PWs) bands (ev): -9.9065 -9.9065 -9.8910 -9.8910 -4.1739 -4.1739 -4.1593 -4.1593 0.4894 0.4894 0.5038 0.5038 3.5764 3.5764 3.7877 3.7877 9.1226 9.1226 9.3929 9.3929 14.0600 14.0600 14.1099 14.1099 k = 0.5000 0.2887 0.1604 ( 1236 PWs) bands (ev): -9.9090 -9.9090 -9.8885 -9.8885 -4.1761 -4.1761 -4.1568 -4.1568 0.4870 0.4870 0.5062 0.5062 3.5412 3.5412 3.8215 3.8215 9.0849 9.0849 9.4435 9.4435 14.0469 14.0469 14.1138 14.1138 k = 0.5000 0.2887 0.1524 ( 1236 PWs) bands (ev): -9.9115 -9.9115 -9.8861 -9.8861 -4.1781 -4.1781 -4.1541 -4.1541 0.4847 0.4847 0.5085 0.5085 3.5066 3.5066 3.8545 3.8545 9.0497 9.0497 9.4951 9.4951 14.0324 14.0324 14.1168 14.1168 k = 0.5000 0.2887 0.1444 ( 1230 PWs) bands (ev): -9.9140 -9.9140 -9.8836 -9.8836 -4.1801 -4.1801 -4.1515 -4.1515 0.4825 0.4825 0.5108 0.5108 3.4728 3.4728 3.8866 3.8866 9.0170 9.0170 9.5473 9.5473 14.0167 14.0167 14.1189 14.1189 k = 0.5000 0.2887 0.1363 ( 1232 PWs) bands (ev): -9.9163 -9.9163 -9.8813 -9.8813 -4.1819 -4.1819 -4.1489 -4.1489 0.4803 0.4803 0.5130 0.5130 3.4397 3.4397 3.9175 3.9175 8.9869 8.9869 9.5998 9.5998 13.9997 13.9997 14.1201 14.1201 k = 0.5000 0.2887 0.1283 ( 1232 PWs) bands (ev): -9.9186 -9.9186 -9.8790 -9.8790 -4.1837 -4.1837 -4.1463 -4.1463 0.4782 0.4782 0.5152 0.5152 3.4077 3.4077 3.9472 3.9472 8.9594 8.9594 9.6523 9.6523 13.9817 13.9817 14.1207 14.1207 k = 0.5000 0.2887 0.1203 ( 1232 PWs) bands (ev): -9.9209 -9.9209 -9.8768 -9.8768 -4.1853 -4.1853 -4.1438 -4.1438 0.4761 0.4761 0.5173 0.5173 3.3768 3.3768 3.9754 3.9754 8.9345 8.9345 9.7045 9.7045 13.9627 13.9627 14.1206 14.1206 k = 0.5000 0.2887 0.1123 ( 1232 PWs) bands (ev): -9.9230 -9.9230 -9.8747 -9.8747 -4.1868 -4.1868 -4.1414 -4.1414 0.4742 0.4742 0.5192 0.5192 3.3472 3.3472 4.0023 4.0023 8.9121 8.9121 9.7558 9.7558 13.9430 13.9430 14.1200 14.1200 k = 0.5000 0.2887 0.1043 ( 1228 PWs) bands (ev): -9.9250 -9.9250 -9.8728 -9.8728 -4.1882 -4.1882 -4.1390 -4.1390 0.4723 0.4723 0.5212 0.5212 3.3190 3.3190 4.0275 4.0275 8.8921 8.8921 9.8061 9.8061 13.9229 13.9229 14.1190 14.1190 k = 0.5000 0.2887 0.0962 ( 1224 PWs) bands (ev): -9.9269 -9.9269 -9.8709 -9.8709 -4.1894 -4.1894 -4.1367 -4.1367 0.4706 0.4706 0.5230 0.5230 3.2924 3.2924 4.0511 4.0511 8.8745 8.8745 9.8548 9.8548 13.9024 13.9024 14.1177 14.1177 k = 0.5000 0.2887 0.0882 ( 1224 PWs) bands (ev): -9.9287 -9.9287 -9.8691 -9.8691 -4.1906 -4.1906 -4.1345 -4.1345 0.4689 0.4689 0.5247 0.5247 3.2675 3.2675 4.0729 4.0729 8.8591 8.8591 9.9016 9.9016 13.8821 13.8821 14.1162 14.1162 k = 0.5000 0.2887 0.0802 ( 1228 PWs) bands (ev): -9.9304 -9.9304 -9.8675 -9.8675 -4.1917 -4.1917 -4.1325 -4.1325 0.4674 0.4674 0.5262 0.5262 3.2443 3.2443 4.0928 4.0928 8.8457 8.8457 9.9460 9.9460 13.8620 13.8620 14.1145 14.1145 k = 0.5000 0.2887 0.0722 ( 1228 PWs) bands (ev): -9.9319 -9.9319 -9.8660 -9.8660 -4.1927 -4.1927 -4.1306 -4.1306 0.4660 0.4660 0.5276 0.5276 3.2230 3.2230 4.1111 4.1111 8.8344 8.8344 9.9877 9.9877 13.8427 13.8427 14.1128 14.1128 k = 0.5000 0.2887 0.0642 ( 1230 PWs) bands (ev): -9.9333 -9.9333 -9.8647 -9.8647 -4.1935 -4.1935 -4.1289 -4.1289 0.4647 0.4647 0.5289 0.5289 3.2037 3.2037 4.1274 4.1274 8.8248 8.8248 10.0263 10.0263 13.8243 13.8243 14.1110 14.1110 k = 0.5000 0.2887 0.0561 ( 1230 PWs) bands (ev): -9.9345 -9.9345 -9.8635 -9.8635 -4.1942 -4.1942 -4.1273 -4.1273 0.4636 0.4636 0.5300 0.5300 3.1865 3.1865 4.1419 4.1419 8.8168 8.8168 10.0614 10.0614 13.8071 13.8071 14.1093 14.1093 k = 0.5000 0.2887 0.0481 ( 1232 PWs) bands (ev): -9.9356 -9.9356 -9.8624 -9.8624 -4.1949 -4.1949 -4.1259 -4.1259 0.4625 0.4625 0.5311 0.5311 3.1714 3.1714 4.1544 4.1544 8.8103 8.8103 10.0926 10.0926 13.7916 13.7916 14.1076 14.1076 k = 0.5000 0.2887 0.0401 ( 1232 PWs) bands (ev): -9.9365 -9.9365 -9.8615 -9.8615 -4.1954 -4.1954 -4.1248 -4.1248 0.4617 0.4617 0.5319 0.5319 3.1586 3.1586 4.1651 4.1651 8.8051 8.8051 10.1197 10.1197 13.7779 13.7779 14.1062 14.1062 k = 0.5000 0.2887 0.0321 ( 1230 PWs) bands (ev): -9.9373 -9.9373 -9.8608 -9.8608 -4.1958 -4.1958 -4.1238 -4.1238 0.4610 0.4610 0.5326 0.5326 3.1480 3.1480 4.1739 4.1739 8.8011 8.8011 10.1422 10.1422 13.7664 13.7664 14.1050 14.1050 k = 0.5000 0.2887 0.0241 ( 1232 PWs) bands (ev): -9.9379 -9.9379 -9.8602 -9.8602 -4.1961 -4.1961 -4.1230 -4.1230 0.4604 0.4604 0.5332 0.5332 3.1396 3.1396 4.1806 4.1806 8.7981 8.7981 10.1600 10.1600 13.7572 13.7572 14.1040 14.1040 k = 0.5000 0.2887 0.0160 ( 1226 PWs) bands (ev): -9.9383 -9.9383 -9.8598 -9.8598 -4.1963 -4.1963 -4.1224 -4.1224 0.4601 0.4601 0.5337 0.5337 3.1336 3.1336 4.1856 4.1856 8.7960 8.7960 10.1729 10.1729 13.7504 13.7504 14.1033 14.1033 k = 0.5000 0.2887 0.0080 ( 1226 PWs) bands (ev): -9.9386 -9.9386 -9.8595 -9.8595 -4.1965 -4.1965 -4.1221 -4.1221 0.4599 0.4599 0.5339 0.5339 3.1301 3.1301 4.1885 4.1885 8.7948 8.7948 10.1807 10.1807 13.7463 13.7463 14.1028 14.1028 k = 0.5000 0.2887-0.0000 ( 1238 PWs) bands (ev): -9.9387 -9.9387 -9.8594 -9.8594 -4.1966 -4.1966 -4.1220 -4.1220 0.4597 0.4597 0.5339 0.5339 3.1288 3.1288 4.1893 4.1893 8.7944 8.7944 10.1833 10.1833 13.7449 13.7449 14.1027 14.1027 k = 0.3333 0.5774-0.0000 ( 1233 PWs) bands (ev): -9.3508 -9.3508 -9.3503 -9.3503 -3.2078 -3.2078 -3.0307 -3.0307 -2.5488 -2.5488 -2.5426 -2.5426 4.4636 4.4636 4.4636 4.4636 9.3758 9.3758 9.3758 9.3758 15.2216 15.2216 17.4510 17.4510 k = 0.3333 0.5774 0.0080 ( 1233 PWs) bands (ev): -9.3508 -9.3508 -9.3503 -9.3503 -3.2076 -3.2076 -3.0309 -3.0309 -2.5489 -2.5489 -2.5426 -2.5426 4.4640 4.4640 4.4640 4.4640 9.3747 9.3747 9.3747 9.3747 15.2239 15.2239 17.4535 17.4535 k = 0.3333 0.5774 0.0160 ( 1239 PWs) bands (ev): -9.3508 -9.3508 -9.3503 -9.3503 -3.2071 -3.2071 -3.0315 -3.0315 -2.5490 -2.5490 -2.5428 -2.5428 4.4650 4.4650 4.4650 4.4650 9.3716 9.3716 9.3716 9.3716 15.2308 15.2308 17.4608 17.4608 k = 0.3333 0.5774 0.0241 ( 1236 PWs) bands (ev): -9.3508 -9.3508 -9.3503 -9.3503 -3.2062 -3.2062 -3.0324 -3.0324 -2.5491 -2.5491 -2.5429 -2.5429 4.4670 4.4670 4.4670 4.4670 9.3665 9.3665 9.3665 9.3665 15.2422 15.2422 17.4729 17.4729 k = 0.3333 0.5774 0.0321 ( 1236 PWs) bands (ev): -9.3508 -9.3508 -9.3503 -9.3503 -3.2049 -3.2049 -3.0338 -3.0338 -2.5494 -2.5494 -2.5432 -2.5432 4.4696 4.4696 4.4696 4.4696 9.3594 9.3594 9.3594 9.3594 15.2582 15.2582 17.4896 17.4896 k = 0.3333 0.5774 0.0401 ( 1239 PWs) bands (ev): -9.3508 -9.3508 -9.3502 -9.3502 -3.2033 -3.2033 -3.0355 -3.0355 -2.5497 -2.5497 -2.5435 -2.5435 4.4728 4.4728 4.4729 4.4729 9.3505 9.3505 9.3505 9.3505 15.2787 15.2787 17.5107 17.5107 k = 0.3333 0.5774 0.0481 ( 1245 PWs) bands (ev): -9.3508 -9.3508 -9.3502 -9.3502 -3.2013 -3.2013 -3.0376 -3.0376 -2.5501 -2.5501 -2.5439 -2.5439 4.4767 4.4767 4.4767 4.4767 9.3400 9.3400 9.3400 9.3400 15.3037 15.3037 17.5358 17.5358 k = 0.3333 0.5774 0.0561 ( 1236 PWs) bands (ev): -9.3508 -9.3508 -9.3502 -9.3502 -3.1990 -3.1990 -3.0400 -3.0400 -2.5505 -2.5505 -2.5443 -2.5443 4.4812 4.4812 4.4812 4.4812 9.3281 9.3281 9.3281 9.3281 15.3332 15.3332 17.5648 17.5648 k = 0.3333 0.5774 0.0642 ( 1230 PWs) bands (ev): -9.3507 -9.3507 -9.3502 -9.3502 -3.1963 -3.1963 -3.0428 -3.0428 -2.5509 -2.5509 -2.5447 -2.5447 4.4861 4.4861 4.4861 4.4861 9.3149 9.3149 9.3149 9.3149 15.3671 15.3671 17.5971 17.5971 k = 0.3333 0.5774 0.0722 ( 1230 PWs) bands (ev): -9.3507 -9.3507 -9.3502 -9.3502 -3.1934 -3.1934 -3.0459 -3.0459 -2.5514 -2.5514 -2.5452 -2.5452 4.4914 4.4914 4.4915 4.4915 9.3006 9.3006 9.3007 9.3007 15.4053 15.4053 17.6321 17.6321 k = 0.3333 0.5774 0.0802 ( 1227 PWs) bands (ev): -9.3507 -9.3507 -9.3501 -9.3501 -3.1901 -3.1901 -3.0494 -3.0494 -2.5519 -2.5519 -2.5457 -2.5457 4.4972 4.4972 4.4972 4.4972 9.2857 9.2857 9.2857 9.2857 15.4480 15.4480 17.6694 17.6694 k = 0.3333 0.5774 0.0882 ( 1233 PWs) bands (ev): -9.3507 -9.3507 -9.3501 -9.3501 -3.1865 -3.1865 -3.0531 -3.0531 -2.5524 -2.5524 -2.5462 -2.5462 4.5030 4.5030 4.5030 4.5030 9.2702 9.2702 9.2702 9.2702 15.4948 15.4948 17.7084 17.7084 k = 0.3333 0.5774 0.0962 ( 1233 PWs) bands (ev): -9.3506 -9.3506 -9.3501 -9.3501 -3.1826 -3.1826 -3.0572 -3.0572 -2.5530 -2.5530 -2.5468 -2.5468 4.5090 4.5090 4.5090 4.5090 9.2545 9.2545 9.2545 9.2545 15.5459 15.5459 17.6773 17.6773 k = 0.3333 0.5774 0.1043 ( 1233 PWs) bands (ev): -9.3506 -9.3506 -9.3500 -9.3500 -3.1785 -3.1785 -3.0615 -3.0615 -2.5535 -2.5535 -2.5473 -2.5473 4.5150 4.5150 4.5150 4.5150 9.2388 9.2388 9.2388 9.2388 15.6012 15.6012 17.5766 17.5766 k = 0.3333 0.5774 0.1123 ( 1233 PWs) bands (ev): -9.3506 -9.3506 -9.3500 -9.3500 -3.1741 -3.1741 -3.0661 -3.0661 -2.5541 -2.5541 -2.5478 -2.5478 4.5210 4.5210 4.5210 4.5210 9.2234 9.2234 9.2234 9.2234 15.6605 15.6605 17.4739 17.4739 k = 0.3333 0.5774 0.1203 ( 1236 PWs) bands (ev): -9.3505 -9.3505 -9.3500 -9.3500 -3.1694 -3.1694 -3.0709 -3.0709 -2.5546 -2.5546 -2.5484 -2.5484 4.5267 4.5267 4.5267 4.5267 9.2086 9.2086 9.2086 9.2086 15.7237 15.7237 17.3699 17.3699 k = 0.3333 0.5774 0.1283 ( 1236 PWs) bands (ev): -9.3505 -9.3505 -9.3500 -9.3500 -3.1646 -3.1646 -3.0759 -3.0759 -2.5551 -2.5551 -2.5489 -2.5489 4.5322 4.5322 4.5322 4.5322 9.1946 9.1946 9.1946 9.1946 15.7908 15.7908 17.2651 17.2651 k = 0.3333 0.5774 0.1363 ( 1236 PWs) bands (ev): -9.3505 -9.3505 -9.3499 -9.3499 -3.1596 -3.1596 -3.0811 -3.0811 -2.5555 -2.5555 -2.5493 -2.5493 4.5374 4.5374 4.5374 4.5374 9.1816 9.1816 9.1816 9.1816 15.8617 15.8617 17.1600 17.1600 k = 0.3333 0.5774 0.1444 ( 1236 PWs) bands (ev): -9.3505 -9.3505 -9.3499 -9.3499 -3.1544 -3.1544 -3.0864 -3.0864 -2.5560 -2.5560 -2.5497 -2.5497 4.5420 4.5420 4.5421 4.5421 9.1699 9.1699 9.1699 9.1699 15.9363 15.9363 17.0552 17.0552 k = 0.3333 0.5774 0.1524 ( 1236 PWs) bands (ev): -9.3505 -9.3505 -9.3499 -9.3499 -3.1491 -3.1491 -3.0919 -3.0919 -2.5563 -2.5563 -2.5501 -2.5501 4.5461 4.5461 4.5461 4.5461 9.1596 9.1596 9.1596 9.1596 16.0143 16.0143 16.9510 16.9510 k = 0.3333 0.5774 0.1604 ( 1242 PWs) bands (ev): -9.3504 -9.3504 -9.3499 -9.3499 -3.1436 -3.1436 -3.0974 -3.0974 -2.5566 -2.5566 -2.5504 -2.5504 4.5494 4.5494 4.5494 4.5494 9.1509 9.1509 9.1509 9.1509 16.0958 16.0958 16.8478 16.8478 k = 0.3333 0.5774 0.1684 ( 1242 PWs) bands (ev): -9.3504 -9.3504 -9.3499 -9.3499 -3.1380 -3.1380 -3.1031 -3.1031 -2.5569 -2.5569 -2.5507 -2.5507 4.5521 4.5521 4.5522 4.5522 9.1441 9.1441 9.1441 9.1441 16.1805 16.1805 16.7461 16.7461 k = 0.3333 0.5774 0.1764 ( 1236 PWs) bands (ev): -9.3504 -9.3504 -9.3499 -9.3499 -3.1324 -3.1324 -3.1087 -3.1087 -2.5570 -2.5570 -2.5508 -2.5508 4.5542 4.5542 4.5543 4.5543 9.1391 9.1391 9.1391 9.1391 16.2682 16.2682 16.6461 16.6461 k = 0.3333 0.5774 0.1845 ( 1236 PWs) bands (ev): -9.3504 -9.3504 -9.3499 -9.3499 -3.1269 -3.1269 -3.1142 -3.1142 -2.5571 -2.5571 -2.5509 -2.5509 4.5554 4.5554 4.5555 4.5555 9.1360 9.1360 9.1361 9.1361 16.3589 16.3589 16.5480 16.5480 k = 0.3333 0.5774 0.1925 ( 1236 PWs) bands (ev): -9.3504 -9.3504 -9.3499 -9.3499 -3.1232 -3.1232 -3.1180 -3.1180 -2.5572 -2.5572 -2.5510 -2.5510 4.5558 4.5558 4.5559 4.5559 9.1350 9.1350 9.1350 9.1350 16.4516 16.4516 16.4527 16.4527 Writing output data file BN.save init_run : 0.06s CPU 0.77s WALL ( 1 calls) electrons : 44.39s CPU 49.81s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.32s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 44.39s CPU 49.81s 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 : 0.04s CPU 0.03s WALL ( 475 calls) cegterg : 40.34s CPU 41.36s WALL ( 581 calls) Called by sum_band: Called by *egterg: h_psi : 18.21s CPU 19.05s WALL ( 8907 calls) s_psi : 0.43s CPU 0.46s WALL ( 8907 calls) g_psi : 0.04s CPU 0.05s WALL ( 7851 calls) cdiaghg : 21.03s CPU 21.43s WALL ( 8326 calls) cegterg:over : 1.17s CPU 1.23s WALL ( 7851 calls) cegterg:upda : 0.96s CPU 0.94s WALL ( 7851 calls) cegterg:last : 0.48s CPU 0.49s WALL ( 1511 calls) cdiaghg:chol : 1.08s CPU 1.10s WALL ( 8326 calls) cdiaghg:inve : 0.36s CPU 0.35s WALL ( 8326 calls) cdiaghg:para : 1.35s CPU 1.39s WALL ( 16652 calls) Called by h_psi: h_psi:vloc : 16.89s CPU 17.57s WALL ( 8907 calls) h_psi:vnl : 1.30s CPU 1.44s WALL ( 8907 calls) add_vuspsi : 0.50s CPU 0.57s WALL ( 8907 calls) General routines calbec : 0.78s CPU 0.85s WALL ( 8907 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 16.00s CPU 16.60s WALL ( 467896 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.09s CPU 0.53s WALL ( 950 calls) Parallel routines fft_scatter : 8.49s CPU 8.57s WALL ( 467919 calls) PWSCF : 0m51.68s CPU 1m46.07s WALL This run was terminated on: 15:45:34 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=