Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 15:43:53 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./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 13 7 2 647 253 44 Max 14 8 3 664 272 55 Sum 499 265 85 23717 9377 1733 bravais-lattice index = 14 lattice parameter (alat) = 4.7281 a.u. unit-cell volume = 239.2286 (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)= 4.728094 celldm(2)= 1.000000 celldm(3)= 2.613509 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 2.613509 ) 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 0.382627 ) 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 ) ( -1.3067546 ) 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 ) ( 1.3067546 ) 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 ) ( -1.3067546 ) 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 ) ( -1.3067546 ) 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 ) ( 1.3067546 ) 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 ) ( 1.3067546 ) 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 ) ( 1.3067546 ) 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 ) ( -1.3067546 ) 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 ) ( 1.3067546 ) 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 ) ( 1.3067546 ) 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 ) ( -1.3067546 ) 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 ) ( -1.3067546 ) 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= 482 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020747 k( 2) = ( 0.0068493 0.0039545 -0.0000000), wk = 0.0020747 k( 3) = ( 0.0136986 0.0079089 -0.0000000), wk = 0.0020747 k( 4) = ( 0.0205479 0.0118634 -0.0000000), wk = 0.0020747 k( 5) = ( 0.0273973 0.0158178 -0.0000000), wk = 0.0020747 k( 6) = ( 0.0342466 0.0197723 -0.0000000), wk = 0.0020747 k( 7) = ( 0.0410959 0.0237267 -0.0000000), wk = 0.0020747 k( 8) = ( 0.0479452 0.0276812 -0.0000000), wk = 0.0020747 k( 9) = ( 0.0547945 0.0316356 -0.0000000), wk = 0.0020747 k( 10) = ( 0.0616438 0.0355901 -0.0000000), wk = 0.0020747 k( 11) = ( 0.0684932 0.0395445 -0.0000000), wk = 0.0020747 k( 12) = ( 0.0753425 0.0434990 -0.0000000), wk = 0.0020747 k( 13) = ( 0.0821918 0.0474534 -0.0000000), wk = 0.0020747 k( 14) = ( 0.0890411 0.0514079 -0.0000000), wk = 0.0020747 k( 15) = ( 0.0958904 0.0553624 -0.0000000), wk = 0.0020747 k( 16) = ( 0.1027397 0.0593168 -0.0000000), wk = 0.0020747 k( 17) = ( 0.1095890 0.0632713 -0.0000000), wk = 0.0020747 k( 18) = ( 0.1164384 0.0672257 -0.0000000), wk = 0.0020747 k( 19) = ( 0.1232877 0.0711802 -0.0000000), wk = 0.0020747 k( 20) = ( 0.1301370 0.0751346 -0.0000000), wk = 0.0020747 k( 21) = ( 0.1369863 0.0790891 -0.0000000), wk = 0.0020747 k( 22) = ( 0.1438356 0.0830435 -0.0000000), wk = 0.0020747 k( 23) = ( 0.1506849 0.0869980 -0.0000000), wk = 0.0020747 k( 24) = ( 0.1575342 0.0909524 -0.0000000), wk = 0.0020747 k( 25) = ( 0.1643836 0.0949069 -0.0000000), wk = 0.0020747 k( 26) = ( 0.1712329 0.0988613 -0.0000000), wk = 0.0020747 k( 27) = ( 0.1780822 0.1028158 -0.0000000), wk = 0.0020747 k( 28) = ( 0.1849315 0.1067703 -0.0000000), wk = 0.0020747 k( 29) = ( 0.1917808 0.1107247 -0.0000000), wk = 0.0020747 k( 30) = ( 0.1986301 0.1146792 -0.0000000), wk = 0.0020747 k( 31) = ( 0.2054795 0.1186336 -0.0000000), wk = 0.0020747 k( 32) = ( 0.2123288 0.1225881 -0.0000000), wk = 0.0020747 k( 33) = ( 0.2191781 0.1265425 -0.0000000), wk = 0.0020747 k( 34) = ( 0.2260274 0.1304970 -0.0000000), wk = 0.0020747 k( 35) = ( 0.2328767 0.1344514 -0.0000000), wk = 0.0020747 k( 36) = ( 0.2397260 0.1384059 -0.0000000), wk = 0.0020747 k( 37) = ( 0.2465753 0.1423603 -0.0000000), wk = 0.0020747 k( 38) = ( 0.2534247 0.1463148 -0.0000000), wk = 0.0020747 k( 39) = ( 0.2602740 0.1502692 -0.0000000), wk = 0.0020747 k( 40) = ( 0.2671233 0.1542237 -0.0000000), wk = 0.0020747 k( 41) = ( 0.2739726 0.1581782 -0.0000000), wk = 0.0020747 k( 42) = ( 0.2808219 0.1621326 -0.0000000), wk = 0.0020747 k( 43) = ( 0.2876712 0.1660871 -0.0000000), wk = 0.0020747 k( 44) = ( 0.2945205 0.1700415 -0.0000000), wk = 0.0020747 k( 45) = ( 0.3013699 0.1739960 -0.0000000), wk = 0.0020747 k( 46) = ( 0.3082192 0.1779504 -0.0000000), wk = 0.0020747 k( 47) = ( 0.3150685 0.1819049 -0.0000000), wk = 0.0020747 k( 48) = ( 0.3219178 0.1858593 -0.0000000), wk = 0.0020747 k( 49) = ( 0.3287671 0.1898138 -0.0000000), wk = 0.0020747 k( 50) = ( 0.3356164 0.1937682 -0.0000000), wk = 0.0020747 k( 51) = ( 0.3424658 0.1977227 -0.0000000), wk = 0.0020747 k( 52) = ( 0.3493151 0.2016771 -0.0000000), wk = 0.0020747 k( 53) = ( 0.3561644 0.2056316 -0.0000000), wk = 0.0020747 k( 54) = ( 0.3630137 0.2095861 -0.0000000), wk = 0.0020747 k( 55) = ( 0.3698630 0.2135405 -0.0000000), wk = 0.0020747 k( 56) = ( 0.3767123 0.2174950 -0.0000000), wk = 0.0020747 k( 57) = ( 0.3835616 0.2214494 -0.0000000), wk = 0.0020747 k( 58) = ( 0.3904110 0.2254039 -0.0000000), wk = 0.0020747 k( 59) = ( 0.3972603 0.2293583 -0.0000000), wk = 0.0020747 k( 60) = ( 0.4041096 0.2333128 -0.0000000), wk = 0.0020747 k( 61) = ( 0.4109589 0.2372672 -0.0000000), wk = 0.0020747 k( 62) = ( 0.4178082 0.2412217 -0.0000000), wk = 0.0020747 k( 63) = ( 0.4246575 0.2451761 -0.0000000), wk = 0.0020747 k( 64) = ( 0.4315068 0.2491306 -0.0000000), wk = 0.0020747 k( 65) = ( 0.4383562 0.2530850 -0.0000000), wk = 0.0020747 k( 66) = ( 0.4452055 0.2570395 -0.0000000), wk = 0.0020747 k( 67) = ( 0.4520548 0.2609940 -0.0000000), wk = 0.0020747 k( 68) = ( 0.4589041 0.2649484 -0.0000000), wk = 0.0020747 k( 69) = ( 0.4657534 0.2689029 -0.0000000), wk = 0.0020747 k( 70) = ( 0.4726027 0.2728573 -0.0000000), wk = 0.0020747 k( 71) = ( 0.4794521 0.2768118 -0.0000000), wk = 0.0020747 k( 72) = ( 0.4863014 0.2807662 -0.0000000), wk = 0.0020747 k( 73) = ( 0.4931507 0.2847207 -0.0000000), wk = 0.0020747 k( 74) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0020747 k( 75) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0020747 k( 76) = ( 0.4960317 0.2955484 -0.0000000), wk = 0.0020747 k( 77) = ( 0.4920635 0.3024216 -0.0000000), wk = 0.0020747 k( 78) = ( 0.4880952 0.3092948 -0.0000000), wk = 0.0020747 k( 79) = ( 0.4841270 0.3161680 -0.0000000), wk = 0.0020747 k( 80) = ( 0.4801587 0.3230412 -0.0000000), wk = 0.0020747 k( 81) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0020747 k( 82) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0020747 k( 83) = ( 0.4682540 0.3436609 -0.0000000), wk = 0.0020747 k( 84) = ( 0.4642857 0.3505341 -0.0000000), wk = 0.0020747 k( 85) = ( 0.4603175 0.3574073 -0.0000000), wk = 0.0020747 k( 86) = ( 0.4563492 0.3642805 -0.0000000), wk = 0.0020747 k( 87) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0020747 k( 88) = ( 0.4484127 0.3780270 -0.0000000), wk = 0.0020747 k( 89) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0020747 k( 90) = ( 0.4404762 0.3917734 -0.0000000), wk = 0.0020747 k( 91) = ( 0.4365079 0.3986466 -0.0000000), wk = 0.0020747 k( 92) = ( 0.4325397 0.4055198 -0.0000000), wk = 0.0020747 k( 93) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0020747 k( 94) = ( 0.4246032 0.4192663 -0.0000000), wk = 0.0020747 k( 95) = ( 0.4206349 0.4261395 -0.0000000), wk = 0.0020747 k( 96) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0020747 k( 97) = ( 0.4126984 0.4398859 -0.0000000), wk = 0.0020747 k( 98) = ( 0.4087302 0.4467591 -0.0000000), wk = 0.0020747 k( 99) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0020747 k( 100) = ( 0.4007937 0.4605056 -0.0000000), wk = 0.0020747 k( 101) = ( 0.3968254 0.4673788 -0.0000000), wk = 0.0020747 k( 102) = ( 0.3928571 0.4742520 -0.0000000), wk = 0.0020747 k( 103) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0020747 k( 104) = ( 0.3849206 0.4879984 -0.0000000), wk = 0.0020747 k( 105) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0020747 k( 106) = ( 0.3769841 0.5017449 -0.0000000), wk = 0.0020747 k( 107) = ( 0.3730159 0.5086181 -0.0000000), wk = 0.0020747 k( 108) = ( 0.3690476 0.5154913 -0.0000000), wk = 0.0020747 k( 109) = ( 0.3650794 0.5223645 -0.0000000), wk = 0.0020747 k( 110) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0020747 k( 111) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0020747 k( 112) = ( 0.3531746 0.5429842 -0.0000000), wk = 0.0020747 k( 113) = ( 0.3492063 0.5498574 -0.0000000), wk = 0.0020747 k( 114) = ( 0.3452381 0.5567306 -0.0000000), wk = 0.0020747 k( 115) = ( 0.3412698 0.5636038 -0.0000000), wk = 0.0020747 k( 116) = ( 0.3373016 0.5704771 -0.0000000), wk = 0.0020747 k( 117) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0020747 k( 118) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0020747 k( 119) = ( 0.3293651 0.5704771 -0.0000000), wk = 0.0020747 k( 120) = ( 0.3253968 0.5636038 -0.0000000), wk = 0.0020747 k( 121) = ( 0.3214286 0.5567306 -0.0000000), wk = 0.0020747 k( 122) = ( 0.3174603 0.5498574 -0.0000000), wk = 0.0020747 k( 123) = ( 0.3134921 0.5429842 -0.0000000), wk = 0.0020747 k( 124) = ( 0.3095238 0.5361110 -0.0000000), wk = 0.0020747 k( 125) = ( 0.3055556 0.5292378 -0.0000000), wk = 0.0020747 k( 126) = ( 0.3015873 0.5223645 -0.0000000), wk = 0.0020747 k( 127) = ( 0.2976190 0.5154913 -0.0000000), wk = 0.0020747 k( 128) = ( 0.2936508 0.5086181 -0.0000000), wk = 0.0020747 k( 129) = ( 0.2896825 0.5017449 -0.0000000), wk = 0.0020747 k( 130) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0020747 k( 131) = ( 0.2817460 0.4879984 -0.0000000), wk = 0.0020747 k( 132) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0020747 k( 133) = ( 0.2738095 0.4742520 -0.0000000), wk = 0.0020747 k( 134) = ( 0.2698413 0.4673788 -0.0000000), wk = 0.0020747 k( 135) = ( 0.2658730 0.4605056 -0.0000000), wk = 0.0020747 k( 136) = ( 0.2619048 0.4536324 -0.0000000), wk = 0.0020747 k( 137) = ( 0.2579365 0.4467591 -0.0000000), wk = 0.0020747 k( 138) = ( 0.2539683 0.4398859 -0.0000000), wk = 0.0020747 k( 139) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0020747 k( 140) = ( 0.2460317 0.4261395 -0.0000000), wk = 0.0020747 k( 141) = ( 0.2420635 0.4192663 -0.0000000), wk = 0.0020747 k( 142) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0020747 k( 143) = ( 0.2341270 0.4055198 -0.0000000), wk = 0.0020747 k( 144) = ( 0.2301587 0.3986466 -0.0000000), wk = 0.0020747 k( 145) = ( 0.2261905 0.3917734 -0.0000000), wk = 0.0020747 k( 146) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0020747 k( 147) = ( 0.2182540 0.3780270 -0.0000000), wk = 0.0020747 k( 148) = ( 0.2142857 0.3711537 -0.0000000), wk = 0.0020747 k( 149) = ( 0.2103175 0.3642805 -0.0000000), wk = 0.0020747 k( 150) = ( 0.2063492 0.3574073 -0.0000000), wk = 0.0020747 k( 151) = ( 0.2023810 0.3505341 -0.0000000), wk = 0.0020747 k( 152) = ( 0.1984127 0.3436609 -0.0000000), wk = 0.0020747 k( 153) = ( 0.1944444 0.3367876 -0.0000000), wk = 0.0020747 k( 154) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0020747 k( 155) = ( 0.1865079 0.3230412 -0.0000000), wk = 0.0020747 k( 156) = ( 0.1825397 0.3161680 -0.0000000), wk = 0.0020747 k( 157) = ( 0.1785714 0.3092948 -0.0000000), wk = 0.0020747 k( 158) = ( 0.1746032 0.3024216 -0.0000000), wk = 0.0020747 k( 159) = ( 0.1706349 0.2955484 -0.0000000), wk = 0.0020747 k( 160) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0020747 k( 161) = ( 0.1626984 0.2818019 -0.0000000), wk = 0.0020747 k( 162) = ( 0.1587302 0.2749287 -0.0000000), wk = 0.0020747 k( 163) = ( 0.1547619 0.2680555 -0.0000000), wk = 0.0020747 k( 164) = ( 0.1507937 0.2611823 -0.0000000), wk = 0.0020747 k( 165) = ( 0.1468254 0.2543091 -0.0000000), wk = 0.0020747 k( 166) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0020747 k( 167) = ( 0.1388889 0.2405626 -0.0000000), wk = 0.0020747 k( 168) = ( 0.1349206 0.2336894 -0.0000000), wk = 0.0020747 k( 169) = ( 0.1309524 0.2268162 -0.0000000), wk = 0.0020747 k( 170) = ( 0.1269841 0.2199430 -0.0000000), wk = 0.0020747 k( 171) = ( 0.1230159 0.2130697 -0.0000000), wk = 0.0020747 k( 172) = ( 0.1190476 0.2061965 -0.0000000), wk = 0.0020747 k( 173) = ( 0.1150794 0.1993233 -0.0000000), wk = 0.0020747 k( 174) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0020747 k( 175) = ( 0.1071429 0.1855769 -0.0000000), wk = 0.0020747 k( 176) = ( 0.1031746 0.1787036 -0.0000000), wk = 0.0020747 k( 177) = ( 0.0992063 0.1718304 -0.0000000), wk = 0.0020747 k( 178) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0020747 k( 179) = ( 0.0912698 0.1580840 -0.0000000), wk = 0.0020747 k( 180) = ( 0.0873016 0.1512108 -0.0000000), wk = 0.0020747 k( 181) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0020747 k( 182) = ( 0.0793651 0.1374644 -0.0000000), wk = 0.0020747 k( 183) = ( 0.0753968 0.1305911 -0.0000000), wk = 0.0020747 k( 184) = ( 0.0714286 0.1237179 -0.0000000), wk = 0.0020747 k( 185) = ( 0.0674603 0.1168447 -0.0000000), wk = 0.0020747 k( 186) = ( 0.0634921 0.1099715 -0.0000000), wk = 0.0020747 k( 187) = ( 0.0595238 0.1030983 -0.0000000), wk = 0.0020747 k( 188) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0020747 k( 189) = ( 0.0515873 0.0893518 -0.0000000), wk = 0.0020747 k( 190) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0020747 k( 191) = ( 0.0436508 0.0756054 -0.0000000), wk = 0.0020747 k( 192) = ( 0.0396825 0.0687322 -0.0000000), wk = 0.0020747 k( 193) = ( 0.0357143 0.0618590 -0.0000000), wk = 0.0020747 k( 194) = ( 0.0317460 0.0549857 -0.0000000), wk = 0.0020747 k( 195) = ( 0.0277778 0.0481125 -0.0000000), wk = 0.0020747 k( 196) = ( 0.0238095 0.0412393 -0.0000000), wk = 0.0020747 k( 197) = ( 0.0198413 0.0343661 -0.0000000), wk = 0.0020747 k( 198) = ( 0.0158730 0.0274929 -0.0000000), wk = 0.0020747 k( 199) = ( 0.0119048 0.0206196 -0.0000000), wk = 0.0020747 k( 200) = ( 0.0079365 0.0137464 -0.0000000), wk = 0.0020747 k( 201) = ( 0.0039683 0.0068732 -0.0000000), wk = 0.0020747 k( 202) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020747 k( 203) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020747 k( 204) = ( 0.0000000 0.0000000 0.0076525), wk = 0.0020747 k( 205) = ( 0.0000000 0.0000000 0.0153051), wk = 0.0020747 k( 206) = ( 0.0000000 0.0000000 0.0229576), wk = 0.0020747 k( 207) = ( 0.0000000 0.0000000 0.0306102), wk = 0.0020747 k( 208) = ( 0.0000000 0.0000000 0.0382627), wk = 0.0020747 k( 209) = ( 0.0000000 0.0000000 0.0459153), wk = 0.0020747 k( 210) = ( 0.0000000 0.0000000 0.0535678), wk = 0.0020747 k( 211) = ( 0.0000000 0.0000000 0.0612204), wk = 0.0020747 k( 212) = ( 0.0000000 0.0000000 0.0688729), wk = 0.0020747 k( 213) = ( 0.0000000 0.0000000 0.0765255), wk = 0.0020747 k( 214) = ( 0.0000000 0.0000000 0.0841780), wk = 0.0020747 k( 215) = ( 0.0000000 0.0000000 0.0918306), wk = 0.0020747 k( 216) = ( 0.0000000 0.0000000 0.0994831), wk = 0.0020747 k( 217) = ( 0.0000000 0.0000000 0.1071356), wk = 0.0020747 k( 218) = ( 0.0000000 0.0000000 0.1147882), wk = 0.0020747 k( 219) = ( 0.0000000 0.0000000 0.1224407), wk = 0.0020747 k( 220) = ( 0.0000000 0.0000000 0.1300933), wk = 0.0020747 k( 221) = ( 0.0000000 0.0000000 0.1377458), wk = 0.0020747 k( 222) = ( 0.0000000 0.0000000 0.1453984), wk = 0.0020747 k( 223) = ( 0.0000000 0.0000000 0.1530509), wk = 0.0020747 k( 224) = ( 0.0000000 0.0000000 0.1607035), wk = 0.0020747 k( 225) = ( 0.0000000 0.0000000 0.1683560), wk = 0.0020747 k( 226) = ( 0.0000000 0.0000000 0.1760086), wk = 0.0020747 k( 227) = ( 0.0000000 0.0000000 0.1836611), wk = 0.0020747 k( 228) = ( 0.0000000 0.0000000 0.1913137), wk = 0.0020747 k( 229) = ( 0.0000000 0.0000000 0.1913137), wk = 0.0020747 k( 230) = ( 0.0068493 0.0039545 0.1913137), wk = 0.0020747 k( 231) = ( 0.0136986 0.0079089 0.1913137), wk = 0.0020747 k( 232) = ( 0.0205479 0.0118634 0.1913137), wk = 0.0020747 k( 233) = ( 0.0273973 0.0158178 0.1913137), wk = 0.0020747 k( 234) = ( 0.0342466 0.0197723 0.1913137), wk = 0.0020747 k( 235) = ( 0.0410959 0.0237267 0.1913137), wk = 0.0020747 k( 236) = ( 0.0479452 0.0276812 0.1913137), wk = 0.0020747 k( 237) = ( 0.0547945 0.0316356 0.1913137), wk = 0.0020747 k( 238) = ( 0.0616438 0.0355901 0.1913137), wk = 0.0020747 k( 239) = ( 0.0684932 0.0395445 0.1913137), wk = 0.0020747 k( 240) = ( 0.0753425 0.0434990 0.1913137), wk = 0.0020747 k( 241) = ( 0.0821918 0.0474534 0.1913137), wk = 0.0020747 k( 242) = ( 0.0890411 0.0514079 0.1913137), wk = 0.0020747 k( 243) = ( 0.0958904 0.0553624 0.1913137), wk = 0.0020747 k( 244) = ( 0.1027397 0.0593168 0.1913137), wk = 0.0020747 k( 245) = ( 0.1095890 0.0632713 0.1913137), wk = 0.0020747 k( 246) = ( 0.1164384 0.0672257 0.1913137), wk = 0.0020747 k( 247) = ( 0.1232877 0.0711802 0.1913137), wk = 0.0020747 k( 248) = ( 0.1301370 0.0751346 0.1913137), wk = 0.0020747 k( 249) = ( 0.1369863 0.0790891 0.1913137), wk = 0.0020747 k( 250) = ( 0.1438356 0.0830435 0.1913137), wk = 0.0020747 k( 251) = ( 0.1506849 0.0869980 0.1913137), wk = 0.0020747 k( 252) = ( 0.1575342 0.0909524 0.1913137), wk = 0.0020747 k( 253) = ( 0.1643836 0.0949069 0.1913137), wk = 0.0020747 k( 254) = ( 0.1712329 0.0988613 0.1913137), wk = 0.0020747 k( 255) = ( 0.1780822 0.1028158 0.1913137), wk = 0.0020747 k( 256) = ( 0.1849315 0.1067703 0.1913137), wk = 0.0020747 k( 257) = ( 0.1917808 0.1107247 0.1913137), wk = 0.0020747 k( 258) = ( 0.1986301 0.1146792 0.1913137), wk = 0.0020747 k( 259) = ( 0.2054795 0.1186336 0.1913137), wk = 0.0020747 k( 260) = ( 0.2123288 0.1225881 0.1913137), wk = 0.0020747 k( 261) = ( 0.2191781 0.1265425 0.1913137), wk = 0.0020747 k( 262) = ( 0.2260274 0.1304970 0.1913137), wk = 0.0020747 k( 263) = ( 0.2328767 0.1344514 0.1913137), wk = 0.0020747 k( 264) = ( 0.2397260 0.1384059 0.1913137), wk = 0.0020747 k( 265) = ( 0.2465753 0.1423603 0.1913137), wk = 0.0020747 k( 266) = ( 0.2534247 0.1463148 0.1913137), wk = 0.0020747 k( 267) = ( 0.2602740 0.1502692 0.1913137), wk = 0.0020747 k( 268) = ( 0.2671233 0.1542237 0.1913137), wk = 0.0020747 k( 269) = ( 0.2739726 0.1581782 0.1913137), wk = 0.0020747 k( 270) = ( 0.2808219 0.1621326 0.1913137), wk = 0.0020747 k( 271) = ( 0.2876712 0.1660871 0.1913137), wk = 0.0020747 k( 272) = ( 0.2945205 0.1700415 0.1913137), wk = 0.0020747 k( 273) = ( 0.3013699 0.1739960 0.1913137), wk = 0.0020747 k( 274) = ( 0.3082192 0.1779504 0.1913137), wk = 0.0020747 k( 275) = ( 0.3150685 0.1819049 0.1913137), wk = 0.0020747 k( 276) = ( 0.3219178 0.1858593 0.1913137), wk = 0.0020747 k( 277) = ( 0.3287671 0.1898138 0.1913137), wk = 0.0020747 k( 278) = ( 0.3356164 0.1937682 0.1913137), wk = 0.0020747 k( 279) = ( 0.3424658 0.1977227 0.1913137), wk = 0.0020747 k( 280) = ( 0.3493151 0.2016771 0.1913137), wk = 0.0020747 k( 281) = ( 0.3561644 0.2056316 0.1913137), wk = 0.0020747 k( 282) = ( 0.3630137 0.2095861 0.1913137), wk = 0.0020747 k( 283) = ( 0.3698630 0.2135405 0.1913137), wk = 0.0020747 k( 284) = ( 0.3767123 0.2174950 0.1913137), wk = 0.0020747 k( 285) = ( 0.3835616 0.2214494 0.1913137), wk = 0.0020747 k( 286) = ( 0.3904110 0.2254039 0.1913137), wk = 0.0020747 k( 287) = ( 0.3972603 0.2293583 0.1913137), wk = 0.0020747 k( 288) = ( 0.4041096 0.2333128 0.1913137), wk = 0.0020747 k( 289) = ( 0.4109589 0.2372672 0.1913137), wk = 0.0020747 k( 290) = ( 0.4178082 0.2412217 0.1913137), wk = 0.0020747 k( 291) = ( 0.4246575 0.2451761 0.1913137), wk = 0.0020747 k( 292) = ( 0.4315068 0.2491306 0.1913137), wk = 0.0020747 k( 293) = ( 0.4383562 0.2530850 0.1913137), wk = 0.0020747 k( 294) = ( 0.4452055 0.2570395 0.1913137), wk = 0.0020747 k( 295) = ( 0.4520548 0.2609940 0.1913137), wk = 0.0020747 k( 296) = ( 0.4589041 0.2649484 0.1913137), wk = 0.0020747 k( 297) = ( 0.4657534 0.2689029 0.1913137), wk = 0.0020747 k( 298) = ( 0.4726027 0.2728573 0.1913137), wk = 0.0020747 k( 299) = ( 0.4794521 0.2768118 0.1913137), wk = 0.0020747 k( 300) = ( 0.4863014 0.2807662 0.1913137), wk = 0.0020747 k( 301) = ( 0.4931507 0.2847207 0.1913137), wk = 0.0020747 k( 302) = ( 0.5000000 0.2886751 0.1913137), wk = 0.0020747 k( 303) = ( 0.5000000 0.2886751 0.1913137), wk = 0.0020747 k( 304) = ( 0.4960317 0.2955484 0.1913137), wk = 0.0020747 k( 305) = ( 0.4920635 0.3024216 0.1913137), wk = 0.0020747 k( 306) = ( 0.4880952 0.3092948 0.1913137), wk = 0.0020747 k( 307) = ( 0.4841270 0.3161680 0.1913137), wk = 0.0020747 k( 308) = ( 0.4801587 0.3230412 0.1913137), wk = 0.0020747 k( 309) = ( 0.4761905 0.3299144 0.1913137), wk = 0.0020747 k( 310) = ( 0.4722222 0.3367877 0.1913137), wk = 0.0020747 k( 311) = ( 0.4682540 0.3436609 0.1913137), wk = 0.0020747 k( 312) = ( 0.4642857 0.3505341 0.1913137), wk = 0.0020747 k( 313) = ( 0.4603175 0.3574073 0.1913137), wk = 0.0020747 k( 314) = ( 0.4563492 0.3642805 0.1913137), wk = 0.0020747 k( 315) = ( 0.4523810 0.3711537 0.1913137), wk = 0.0020747 k( 316) = ( 0.4484127 0.3780270 0.1913137), wk = 0.0020747 k( 317) = ( 0.4444444 0.3849002 0.1913137), wk = 0.0020747 k( 318) = ( 0.4404762 0.3917734 0.1913137), wk = 0.0020747 k( 319) = ( 0.4365079 0.3986466 0.1913137), wk = 0.0020747 k( 320) = ( 0.4325397 0.4055198 0.1913137), wk = 0.0020747 k( 321) = ( 0.4285714 0.4123930 0.1913137), wk = 0.0020747 k( 322) = ( 0.4246032 0.4192663 0.1913137), wk = 0.0020747 k( 323) = ( 0.4206349 0.4261395 0.1913137), wk = 0.0020747 k( 324) = ( 0.4166667 0.4330127 0.1913137), wk = 0.0020747 k( 325) = ( 0.4126984 0.4398859 0.1913137), wk = 0.0020747 k( 326) = ( 0.4087302 0.4467591 0.1913137), wk = 0.0020747 k( 327) = ( 0.4047619 0.4536324 0.1913137), wk = 0.0020747 k( 328) = ( 0.4007937 0.4605056 0.1913137), wk = 0.0020747 k( 329) = ( 0.3968254 0.4673788 0.1913137), wk = 0.0020747 k( 330) = ( 0.3928571 0.4742520 0.1913137), wk = 0.0020747 k( 331) = ( 0.3888889 0.4811252 0.1913137), wk = 0.0020747 k( 332) = ( 0.3849206 0.4879984 0.1913137), wk = 0.0020747 k( 333) = ( 0.3809524 0.4948717 0.1913137), wk = 0.0020747 k( 334) = ( 0.3769841 0.5017449 0.1913137), wk = 0.0020747 k( 335) = ( 0.3730159 0.5086181 0.1913137), wk = 0.0020747 k( 336) = ( 0.3690476 0.5154913 0.1913137), wk = 0.0020747 k( 337) = ( 0.3650794 0.5223645 0.1913137), wk = 0.0020747 k( 338) = ( 0.3611111 0.5292377 0.1913137), wk = 0.0020747 k( 339) = ( 0.3571429 0.5361110 0.1913137), wk = 0.0020747 k( 340) = ( 0.3531746 0.5429842 0.1913137), wk = 0.0020747 k( 341) = ( 0.3492063 0.5498574 0.1913137), wk = 0.0020747 k( 342) = ( 0.3452381 0.5567306 0.1913137), wk = 0.0020747 k( 343) = ( 0.3412698 0.5636038 0.1913137), wk = 0.0020747 k( 344) = ( 0.3373016 0.5704771 0.1913137), wk = 0.0020747 k( 345) = ( 0.3333333 0.5773503 0.1913137), wk = 0.0020747 k( 346) = ( 0.3333333 0.5773503 0.1913137), wk = 0.0020747 k( 347) = ( 0.3293651 0.5704771 0.1913137), wk = 0.0020747 k( 348) = ( 0.3253968 0.5636038 0.1913137), wk = 0.0020747 k( 349) = ( 0.3214286 0.5567306 0.1913137), wk = 0.0020747 k( 350) = ( 0.3174603 0.5498574 0.1913137), wk = 0.0020747 k( 351) = ( 0.3134921 0.5429842 0.1913137), wk = 0.0020747 k( 352) = ( 0.3095238 0.5361110 0.1913137), wk = 0.0020747 k( 353) = ( 0.3055556 0.5292378 0.1913137), wk = 0.0020747 k( 354) = ( 0.3015873 0.5223645 0.1913137), wk = 0.0020747 k( 355) = ( 0.2976190 0.5154913 0.1913137), wk = 0.0020747 k( 356) = ( 0.2936508 0.5086181 0.1913137), wk = 0.0020747 k( 357) = ( 0.2896825 0.5017449 0.1913137), wk = 0.0020747 k( 358) = ( 0.2857143 0.4948717 0.1913137), wk = 0.0020747 k( 359) = ( 0.2817460 0.4879984 0.1913137), wk = 0.0020747 k( 360) = ( 0.2777778 0.4811252 0.1913137), wk = 0.0020747 k( 361) = ( 0.2738095 0.4742520 0.1913137), wk = 0.0020747 k( 362) = ( 0.2698413 0.4673788 0.1913137), wk = 0.0020747 k( 363) = ( 0.2658730 0.4605056 0.1913137), wk = 0.0020747 k( 364) = ( 0.2619048 0.4536324 0.1913137), wk = 0.0020747 k( 365) = ( 0.2579365 0.4467591 0.1913137), wk = 0.0020747 k( 366) = ( 0.2539683 0.4398859 0.1913137), wk = 0.0020747 k( 367) = ( 0.2500000 0.4330127 0.1913137), wk = 0.0020747 k( 368) = ( 0.2460317 0.4261395 0.1913137), wk = 0.0020747 k( 369) = ( 0.2420635 0.4192663 0.1913137), wk = 0.0020747 k( 370) = ( 0.2380952 0.4123931 0.1913137), wk = 0.0020747 k( 371) = ( 0.2341270 0.4055198 0.1913137), wk = 0.0020747 k( 372) = ( 0.2301587 0.3986466 0.1913137), wk = 0.0020747 k( 373) = ( 0.2261905 0.3917734 0.1913137), wk = 0.0020747 k( 374) = ( 0.2222222 0.3849002 0.1913137), wk = 0.0020747 k( 375) = ( 0.2182540 0.3780270 0.1913137), wk = 0.0020747 k( 376) = ( 0.2142857 0.3711537 0.1913137), wk = 0.0020747 k( 377) = ( 0.2103175 0.3642805 0.1913137), wk = 0.0020747 k( 378) = ( 0.2063492 0.3574073 0.1913137), wk = 0.0020747 k( 379) = ( 0.2023810 0.3505341 0.1913137), wk = 0.0020747 k( 380) = ( 0.1984127 0.3436609 0.1913137), wk = 0.0020747 k( 381) = ( 0.1944444 0.3367876 0.1913137), wk = 0.0020747 k( 382) = ( 0.1904762 0.3299144 0.1913137), wk = 0.0020747 k( 383) = ( 0.1865079 0.3230412 0.1913137), wk = 0.0020747 k( 384) = ( 0.1825397 0.3161680 0.1913137), wk = 0.0020747 k( 385) = ( 0.1785714 0.3092948 0.1913137), wk = 0.0020747 k( 386) = ( 0.1746032 0.3024216 0.1913137), wk = 0.0020747 k( 387) = ( 0.1706349 0.2955484 0.1913137), wk = 0.0020747 k( 388) = ( 0.1666667 0.2886751 0.1913137), wk = 0.0020747 k( 389) = ( 0.1626984 0.2818019 0.1913137), wk = 0.0020747 k( 390) = ( 0.1587302 0.2749287 0.1913137), wk = 0.0020747 k( 391) = ( 0.1547619 0.2680555 0.1913137), wk = 0.0020747 k( 392) = ( 0.1507937 0.2611823 0.1913137), wk = 0.0020747 k( 393) = ( 0.1468254 0.2543091 0.1913137), wk = 0.0020747 k( 394) = ( 0.1428571 0.2474358 0.1913137), wk = 0.0020747 k( 395) = ( 0.1388889 0.2405626 0.1913137), wk = 0.0020747 k( 396) = ( 0.1349206 0.2336894 0.1913137), wk = 0.0020747 k( 397) = ( 0.1309524 0.2268162 0.1913137), wk = 0.0020747 k( 398) = ( 0.1269841 0.2199430 0.1913137), wk = 0.0020747 k( 399) = ( 0.1230159 0.2130697 0.1913137), wk = 0.0020747 k( 400) = ( 0.1190476 0.2061965 0.1913137), wk = 0.0020747 k( 401) = ( 0.1150794 0.1993233 0.1913137), wk = 0.0020747 k( 402) = ( 0.1111111 0.1924501 0.1913137), wk = 0.0020747 k( 403) = ( 0.1071429 0.1855769 0.1913137), wk = 0.0020747 k( 404) = ( 0.1031746 0.1787036 0.1913137), wk = 0.0020747 k( 405) = ( 0.0992063 0.1718304 0.1913137), wk = 0.0020747 k( 406) = ( 0.0952381 0.1649572 0.1913137), wk = 0.0020747 k( 407) = ( 0.0912698 0.1580840 0.1913137), wk = 0.0020747 k( 408) = ( 0.0873016 0.1512108 0.1913137), wk = 0.0020747 k( 409) = ( 0.0833333 0.1443376 0.1913137), wk = 0.0020747 k( 410) = ( 0.0793651 0.1374644 0.1913137), wk = 0.0020747 k( 411) = ( 0.0753968 0.1305911 0.1913137), wk = 0.0020747 k( 412) = ( 0.0714286 0.1237179 0.1913137), wk = 0.0020747 k( 413) = ( 0.0674603 0.1168447 0.1913137), wk = 0.0020747 k( 414) = ( 0.0634921 0.1099715 0.1913137), wk = 0.0020747 k( 415) = ( 0.0595238 0.1030983 0.1913137), wk = 0.0020747 k( 416) = ( 0.0555556 0.0962251 0.1913137), wk = 0.0020747 k( 417) = ( 0.0515873 0.0893518 0.1913137), wk = 0.0020747 k( 418) = ( 0.0476191 0.0824786 0.1913137), wk = 0.0020747 k( 419) = ( 0.0436508 0.0756054 0.1913137), wk = 0.0020747 k( 420) = ( 0.0396825 0.0687322 0.1913137), wk = 0.0020747 k( 421) = ( 0.0357143 0.0618590 0.1913137), wk = 0.0020747 k( 422) = ( 0.0317460 0.0549857 0.1913137), wk = 0.0020747 k( 423) = ( 0.0277778 0.0481125 0.1913137), wk = 0.0020747 k( 424) = ( 0.0238095 0.0412393 0.1913137), wk = 0.0020747 k( 425) = ( 0.0198413 0.0343661 0.1913137), wk = 0.0020747 k( 426) = ( 0.0158730 0.0274929 0.1913137), wk = 0.0020747 k( 427) = ( 0.0119048 0.0206196 0.1913137), wk = 0.0020747 k( 428) = ( 0.0079365 0.0137464 0.1913137), wk = 0.0020747 k( 429) = ( 0.0039683 0.0068732 0.1913137), wk = 0.0020747 k( 430) = ( 0.0000000 0.0000000 0.1913137), wk = 0.0020747 k( 431) = ( 0.5000000 0.2886751 0.1913137), wk = 0.0020747 k( 432) = ( 0.5000000 0.2886751 0.1836611), wk = 0.0020747 k( 433) = ( 0.5000000 0.2886751 0.1760086), wk = 0.0020747 k( 434) = ( 0.5000000 0.2886751 0.1683560), wk = 0.0020747 k( 435) = ( 0.5000000 0.2886751 0.1607035), wk = 0.0020747 k( 436) = ( 0.5000000 0.2886751 0.1530509), wk = 0.0020747 k( 437) = ( 0.5000000 0.2886751 0.1453984), wk = 0.0020747 k( 438) = ( 0.5000000 0.2886751 0.1377458), wk = 0.0020747 k( 439) = ( 0.5000000 0.2886751 0.1300933), wk = 0.0020747 k( 440) = ( 0.5000000 0.2886751 0.1224407), wk = 0.0020747 k( 441) = ( 0.5000000 0.2886751 0.1147882), wk = 0.0020747 k( 442) = ( 0.5000000 0.2886751 0.1071356), wk = 0.0020747 k( 443) = ( 0.5000000 0.2886751 0.0994831), wk = 0.0020747 k( 444) = ( 0.5000000 0.2886751 0.0918306), wk = 0.0020747 k( 445) = ( 0.5000000 0.2886751 0.0841780), wk = 0.0020747 k( 446) = ( 0.5000000 0.2886751 0.0765255), wk = 0.0020747 k( 447) = ( 0.5000000 0.2886751 0.0688729), wk = 0.0020747 k( 448) = ( 0.5000000 0.2886751 0.0612204), wk = 0.0020747 k( 449) = ( 0.5000000 0.2886751 0.0535678), wk = 0.0020747 k( 450) = ( 0.5000000 0.2886751 0.0459153), wk = 0.0020747 k( 451) = ( 0.5000000 0.2886751 0.0382627), wk = 0.0020747 k( 452) = ( 0.5000000 0.2886751 0.0306102), wk = 0.0020747 k( 453) = ( 0.5000000 0.2886751 0.0229576), wk = 0.0020747 k( 454) = ( 0.5000000 0.2886751 0.0153051), wk = 0.0020747 k( 455) = ( 0.5000000 0.2886751 0.0076525), wk = 0.0020747 k( 456) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0020747 k( 457) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0020747 k( 458) = ( 0.3333333 0.5773503 0.0076525), wk = 0.0020747 k( 459) = ( 0.3333333 0.5773503 0.0153051), wk = 0.0020747 k( 460) = ( 0.3333333 0.5773503 0.0229576), wk = 0.0020747 k( 461) = ( 0.3333333 0.5773503 0.0306102), wk = 0.0020747 k( 462) = ( 0.3333333 0.5773503 0.0382627), wk = 0.0020747 k( 463) = ( 0.3333333 0.5773503 0.0459153), wk = 0.0020747 k( 464) = ( 0.3333333 0.5773503 0.0535678), wk = 0.0020747 k( 465) = ( 0.3333333 0.5773503 0.0612204), wk = 0.0020747 k( 466) = ( 0.3333333 0.5773503 0.0688729), wk = 0.0020747 k( 467) = ( 0.3333333 0.5773503 0.0765255), wk = 0.0020747 k( 468) = ( 0.3333333 0.5773503 0.0841780), wk = 0.0020747 k( 469) = ( 0.3333333 0.5773503 0.0918306), wk = 0.0020747 k( 470) = ( 0.3333333 0.5773503 0.0994831), wk = 0.0020747 k( 471) = ( 0.3333333 0.5773503 0.1071356), wk = 0.0020747 k( 472) = ( 0.3333333 0.5773503 0.1147882), wk = 0.0020747 k( 473) = ( 0.3333333 0.5773503 0.1224407), wk = 0.0020747 k( 474) = ( 0.3333333 0.5773503 0.1300933), wk = 0.0020747 k( 475) = ( 0.3333333 0.5773503 0.1377458), wk = 0.0020747 k( 476) = ( 0.3333333 0.5773503 0.1453984), wk = 0.0020747 k( 477) = ( 0.3333333 0.5773503 0.1530509), wk = 0.0020747 k( 478) = ( 0.3333333 0.5773503 0.1607035), wk = 0.0020747 k( 479) = ( 0.3333333 0.5773503 0.1683560), wk = 0.0020747 k( 480) = ( 0.3333333 0.5773503 0.1760086), wk = 0.0020747 k( 481) = ( 0.3333333 0.5773503 0.1836611), wk = 0.0020747 k( 482) = ( 0.3333333 0.5773503 0.1913137), wk = 0.0020747 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020747 k( 2) = ( 0.0068493 0.0000000 0.0000000), wk = 0.0020747 k( 3) = ( 0.0136986 0.0000000 -0.0000000), wk = 0.0020747 k( 4) = ( 0.0205479 0.0000000 -0.0000000), wk = 0.0020747 k( 5) = ( 0.0273973 0.0000000 -0.0000000), wk = 0.0020747 k( 6) = ( 0.0342466 -0.0000000 -0.0000000), wk = 0.0020747 k( 7) = ( 0.0410959 0.0000000 0.0000000), wk = 0.0020747 k( 8) = ( 0.0479452 0.0000000 0.0000000), wk = 0.0020747 k( 9) = ( 0.0547945 0.0000000 -0.0000000), wk = 0.0020747 k( 10) = ( 0.0616438 0.0000000 0.0000000), wk = 0.0020747 k( 11) = ( 0.0684932 -0.0000000 0.0000000), wk = 0.0020747 k( 12) = ( 0.0753425 0.0000000 -0.0000000), wk = 0.0020747 k( 13) = ( 0.0821918 0.0000000 0.0000000), wk = 0.0020747 k( 14) = ( 0.0890411 0.0000000 -0.0000000), wk = 0.0020747 k( 15) = ( 0.0958904 0.0000000 0.0000000), wk = 0.0020747 k( 16) = ( 0.1027397 0.0000000 0.0000000), wk = 0.0020747 k( 17) = ( 0.1095890 0.0000000 -0.0000000), wk = 0.0020747 k( 18) = ( 0.1164384 0.0000000 -0.0000000), wk = 0.0020747 k( 19) = ( 0.1232877 0.0000000 0.0000000), wk = 0.0020747 k( 20) = ( 0.1301370 -0.0000000 0.0000000), wk = 0.0020747 k( 21) = ( 0.1369863 -0.0000000 0.0000000), wk = 0.0020747 k( 22) = ( 0.1438356 0.0000000 -0.0000000), wk = 0.0020747 k( 23) = ( 0.1506849 0.0000000 -0.0000000), wk = 0.0020747 k( 24) = ( 0.1575342 0.0000000 0.0000000), wk = 0.0020747 k( 25) = ( 0.1643836 0.0000000 0.0000000), wk = 0.0020747 k( 26) = ( 0.1712329 0.0000000 0.0000000), wk = 0.0020747 k( 27) = ( 0.1780822 0.0000000 0.0000000), wk = 0.0020747 k( 28) = ( 0.1849315 0.0000000 -0.0000000), wk = 0.0020747 k( 29) = ( 0.1917808 0.0000000 0.0000000), wk = 0.0020747 k( 30) = ( 0.1986301 0.0000000 -0.0000000), wk = 0.0020747 k( 31) = ( 0.2054795 0.0000000 -0.0000000), wk = 0.0020747 k( 32) = ( 0.2123288 0.0000000 0.0000000), wk = 0.0020747 k( 33) = ( 0.2191781 0.0000000 -0.0000000), wk = 0.0020747 k( 34) = ( 0.2260274 0.0000000 0.0000000), wk = 0.0020747 k( 35) = ( 0.2328767 0.0000000 0.0000000), wk = 0.0020747 k( 36) = ( 0.2397260 0.0000000 0.0000000), wk = 0.0020747 k( 37) = ( 0.2465753 0.0000000 0.0000000), wk = 0.0020747 k( 38) = ( 0.2534247 0.0000000 -0.0000000), wk = 0.0020747 k( 39) = ( 0.2602740 -0.0000000 0.0000000), wk = 0.0020747 k( 40) = ( 0.2671233 0.0000000 0.0000000), wk = 0.0020747 k( 41) = ( 0.2739726 -0.0000000 0.0000000), wk = 0.0020747 k( 42) = ( 0.2808219 -0.0000000 -0.0000000), wk = 0.0020747 k( 43) = ( 0.2876712 0.0000000 0.0000000), wk = 0.0020747 k( 44) = ( 0.2945205 0.0000000 -0.0000000), wk = 0.0020747 k( 45) = ( 0.3013699 0.0000000 -0.0000000), wk = 0.0020747 k( 46) = ( 0.3082192 0.0000000 0.0000000), wk = 0.0020747 k( 47) = ( 0.3150685 0.0000000 -0.0000000), wk = 0.0020747 k( 48) = ( 0.3219178 0.0000000 -0.0000000), wk = 0.0020747 k( 49) = ( 0.3287671 0.0000000 0.0000000), wk = 0.0020747 k( 50) = ( 0.3356164 0.0000000 -0.0000000), wk = 0.0020747 k( 51) = ( 0.3424658 0.0000000 0.0000000), wk = 0.0020747 k( 52) = ( 0.3493151 0.0000000 0.0000000), wk = 0.0020747 k( 53) = ( 0.3561644 0.0000000 0.0000000), wk = 0.0020747 k( 54) = ( 0.3630137 0.0000000 -0.0000000), wk = 0.0020747 k( 55) = ( 0.3698630 0.0000000 -0.0000000), wk = 0.0020747 k( 56) = ( 0.3767123 0.0000000 0.0000000), wk = 0.0020747 k( 57) = ( 0.3835616 0.0000000 0.0000000), wk = 0.0020747 k( 58) = ( 0.3904110 0.0000000 -0.0000000), wk = 0.0020747 k( 59) = ( 0.3972603 0.0000000 0.0000000), wk = 0.0020747 k( 60) = ( 0.4041096 0.0000000 0.0000000), wk = 0.0020747 k( 61) = ( 0.4109589 0.0000000 -0.0000000), wk = 0.0020747 k( 62) = ( 0.4178082 0.0000000 0.0000000), wk = 0.0020747 k( 63) = ( 0.4246575 0.0000000 0.0000000), wk = 0.0020747 k( 64) = ( 0.4315068 0.0000000 0.0000000), wk = 0.0020747 k( 65) = ( 0.4383562 0.0000000 -0.0000000), wk = 0.0020747 k( 66) = ( 0.4452055 0.0000000 0.0000000), wk = 0.0020747 k( 67) = ( 0.4520548 -0.0000000 0.0000000), wk = 0.0020747 k( 68) = ( 0.4589041 0.0000000 -0.0000000), wk = 0.0020747 k( 69) = ( 0.4657534 0.0000000 0.0000000), wk = 0.0020747 k( 70) = ( 0.4726027 0.0000000 0.0000000), wk = 0.0020747 k( 71) = ( 0.4794521 0.0000000 -0.0000000), wk = 0.0020747 k( 72) = ( 0.4863014 0.0000000 -0.0000000), wk = 0.0020747 k( 73) = ( 0.4931507 0.0000000 0.0000000), wk = 0.0020747 k( 74) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0020747 k( 75) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0020747 k( 76) = ( 0.4960317 0.0079365 0.0000000), wk = 0.0020747 k( 77) = ( 0.4920635 0.0158730 -0.0000000), wk = 0.0020747 k( 78) = ( 0.4880952 0.0238095 0.0000000), wk = 0.0020747 k( 79) = ( 0.4841270 0.0317460 0.0000000), wk = 0.0020747 k( 80) = ( 0.4801587 0.0396825 0.0000000), wk = 0.0020747 k( 81) = ( 0.4761905 0.0476191 -0.0000000), wk = 0.0020747 k( 82) = ( 0.4722222 0.0555556 0.0000000), wk = 0.0020747 k( 83) = ( 0.4682540 0.0634921 -0.0000000), wk = 0.0020747 k( 84) = ( 0.4642857 0.0714286 0.0000000), wk = 0.0020747 k( 85) = ( 0.4603175 0.0793651 0.0000000), wk = 0.0020747 k( 86) = ( 0.4563492 0.0873016 -0.0000000), wk = 0.0020747 k( 87) = ( 0.4523810 0.0952381 0.0000000), wk = 0.0020747 k( 88) = ( 0.4484127 0.1031746 0.0000000), wk = 0.0020747 k( 89) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0020747 k( 90) = ( 0.4404762 0.1190476 0.0000000), wk = 0.0020747 k( 91) = ( 0.4365079 0.1269841 0.0000000), wk = 0.0020747 k( 92) = ( 0.4325397 0.1349206 -0.0000000), wk = 0.0020747 k( 93) = ( 0.4285714 0.1428571 0.0000000), wk = 0.0020747 k( 94) = ( 0.4246032 0.1507937 0.0000000), wk = 0.0020747 k( 95) = ( 0.4206349 0.1587302 0.0000000), wk = 0.0020747 k( 96) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0020747 k( 97) = ( 0.4126984 0.1746032 0.0000000), wk = 0.0020747 k( 98) = ( 0.4087302 0.1825397 -0.0000000), wk = 0.0020747 k( 99) = ( 0.4047619 0.1904762 0.0000000), wk = 0.0020747 k( 100) = ( 0.4007937 0.1984127 0.0000000), wk = 0.0020747 k( 101) = ( 0.3968254 0.2063492 -0.0000000), wk = 0.0020747 k( 102) = ( 0.3928571 0.2142857 0.0000000), wk = 0.0020747 k( 103) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0020747 k( 104) = ( 0.3849206 0.2301587 -0.0000000), wk = 0.0020747 k( 105) = ( 0.3809524 0.2380952 0.0000000), wk = 0.0020747 k( 106) = ( 0.3769841 0.2460318 -0.0000000), wk = 0.0020747 k( 107) = ( 0.3730159 0.2539683 0.0000000), wk = 0.0020747 k( 108) = ( 0.3690476 0.2619048 -0.0000000), wk = 0.0020747 k( 109) = ( 0.3650794 0.2698413 -0.0000000), wk = 0.0020747 k( 110) = ( 0.3611111 0.2777778 0.0000000), wk = 0.0020747 k( 111) = ( 0.3571429 0.2857143 -0.0000000), wk = 0.0020747 k( 112) = ( 0.3531746 0.2936508 0.0000000), wk = 0.0020747 k( 113) = ( 0.3492063 0.3015873 0.0000000), wk = 0.0020747 k( 114) = ( 0.3452381 0.3095238 0.0000000), wk = 0.0020747 k( 115) = ( 0.3412698 0.3174603 0.0000000), wk = 0.0020747 k( 116) = ( 0.3373016 0.3253968 0.0000000), wk = 0.0020747 k( 117) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0020747 k( 118) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0020747 k( 119) = ( 0.3293651 0.3293651 0.0000000), wk = 0.0020747 k( 120) = ( 0.3253968 0.3253968 0.0000000), wk = 0.0020747 k( 121) = ( 0.3214286 0.3214286 0.0000000), wk = 0.0020747 k( 122) = ( 0.3174603 0.3174603 0.0000000), wk = 0.0020747 k( 123) = ( 0.3134921 0.3134921 0.0000000), wk = 0.0020747 k( 124) = ( 0.3095238 0.3095238 0.0000000), wk = 0.0020747 k( 125) = ( 0.3055556 0.3055556 0.0000000), wk = 0.0020747 k( 126) = ( 0.3015873 0.3015873 0.0000000), wk = 0.0020747 k( 127) = ( 0.2976190 0.2976190 -0.0000000), wk = 0.0020747 k( 128) = ( 0.2936508 0.2936508 0.0000000), wk = 0.0020747 k( 129) = ( 0.2896825 0.2896825 0.0000000), wk = 0.0020747 k( 130) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0020747 k( 131) = ( 0.2817460 0.2817460 0.0000000), wk = 0.0020747 k( 132) = ( 0.2777778 0.2777778 0.0000000), wk = 0.0020747 k( 133) = ( 0.2738095 0.2738095 -0.0000000), wk = 0.0020747 k( 134) = ( 0.2698413 0.2698413 0.0000000), wk = 0.0020747 k( 135) = ( 0.2658730 0.2658730 0.0000000), wk = 0.0020747 k( 136) = ( 0.2619048 0.2619048 -0.0000000), wk = 0.0020747 k( 137) = ( 0.2579365 0.2579365 0.0000000), wk = 0.0020747 k( 138) = ( 0.2539683 0.2539683 0.0000000), wk = 0.0020747 k( 139) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0020747 k( 140) = ( 0.2460317 0.2460318 -0.0000000), wk = 0.0020747 k( 141) = ( 0.2420635 0.2420635 0.0000000), wk = 0.0020747 k( 142) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0020747 k( 143) = ( 0.2341270 0.2341270 -0.0000000), wk = 0.0020747 k( 144) = ( 0.2301587 0.2301587 -0.0000000), wk = 0.0020747 k( 145) = ( 0.2261905 0.2261905 0.0000000), wk = 0.0020747 k( 146) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0020747 k( 147) = ( 0.2182540 0.2182540 0.0000000), wk = 0.0020747 k( 148) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0020747 k( 149) = ( 0.2103175 0.2103175 0.0000000), wk = 0.0020747 k( 150) = ( 0.2063492 0.2063492 -0.0000000), wk = 0.0020747 k( 151) = ( 0.2023810 0.2023810 0.0000000), wk = 0.0020747 k( 152) = ( 0.1984127 0.1984127 0.0000000), wk = 0.0020747 k( 153) = ( 0.1944444 0.1944444 0.0000000), wk = 0.0020747 k( 154) = ( 0.1904762 0.1904762 0.0000000), wk = 0.0020747 k( 155) = ( 0.1865079 0.1865079 0.0000000), wk = 0.0020747 k( 156) = ( 0.1825397 0.1825397 -0.0000000), wk = 0.0020747 k( 157) = ( 0.1785714 0.1785714 0.0000000), wk = 0.0020747 k( 158) = ( 0.1746032 0.1746032 0.0000000), wk = 0.0020747 k( 159) = ( 0.1706349 0.1706349 0.0000000), wk = 0.0020747 k( 160) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0020747 k( 161) = ( 0.1626984 0.1626984 0.0000000), wk = 0.0020747 k( 162) = ( 0.1587302 0.1587302 0.0000000), wk = 0.0020747 k( 163) = ( 0.1547619 0.1547619 0.0000000), wk = 0.0020747 k( 164) = ( 0.1507937 0.1507937 0.0000000), wk = 0.0020747 k( 165) = ( 0.1468254 0.1468254 -0.0000000), wk = 0.0020747 k( 166) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0020747 k( 167) = ( 0.1388889 0.1388889 0.0000000), wk = 0.0020747 k( 168) = ( 0.1349206 0.1349206 -0.0000000), wk = 0.0020747 k( 169) = ( 0.1309524 0.1309524 -0.0000000), wk = 0.0020747 k( 170) = ( 0.1269841 0.1269841 -0.0000000), wk = 0.0020747 k( 171) = ( 0.1230159 0.1230159 0.0000000), wk = 0.0020747 k( 172) = ( 0.1190476 0.1190476 0.0000000), wk = 0.0020747 k( 173) = ( 0.1150794 0.1150794 0.0000000), wk = 0.0020747 k( 174) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0020747 k( 175) = ( 0.1071429 0.1071429 0.0000000), wk = 0.0020747 k( 176) = ( 0.1031746 0.1031746 0.0000000), wk = 0.0020747 k( 177) = ( 0.0992063 0.0992063 0.0000000), wk = 0.0020747 k( 178) = ( 0.0952381 0.0952381 0.0000000), wk = 0.0020747 k( 179) = ( 0.0912698 0.0912698 -0.0000000), wk = 0.0020747 k( 180) = ( 0.0873016 0.0873016 -0.0000000), wk = 0.0020747 k( 181) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0020747 k( 182) = ( 0.0793651 0.0793651 0.0000000), wk = 0.0020747 k( 183) = ( 0.0753968 0.0753968 0.0000000), wk = 0.0020747 k( 184) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0020747 k( 185) = ( 0.0674603 0.0674603 0.0000000), wk = 0.0020747 k( 186) = ( 0.0634921 0.0634921 0.0000000), wk = 0.0020747 k( 187) = ( 0.0595238 0.0595238 0.0000000), wk = 0.0020747 k( 188) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0020747 k( 189) = ( 0.0515873 0.0515873 0.0000000), wk = 0.0020747 k( 190) = ( 0.0476191 0.0476191 0.0000000), wk = 0.0020747 k( 191) = ( 0.0436508 0.0436508 0.0000000), wk = 0.0020747 k( 192) = ( 0.0396825 0.0396825 0.0000000), wk = 0.0020747 k( 193) = ( 0.0357143 0.0357143 -0.0000000), wk = 0.0020747 k( 194) = ( 0.0317460 0.0317460 0.0000000), wk = 0.0020747 k( 195) = ( 0.0277778 0.0277778 0.0000000), wk = 0.0020747 k( 196) = ( 0.0238095 0.0238095 0.0000000), wk = 0.0020747 k( 197) = ( 0.0198413 0.0198413 0.0000000), wk = 0.0020747 k( 198) = ( 0.0158730 0.0158730 0.0000000), wk = 0.0020747 k( 199) = ( 0.0119048 0.0119048 0.0000000), wk = 0.0020747 k( 200) = ( 0.0079365 0.0079365 0.0000000), wk = 0.0020747 k( 201) = ( 0.0039683 0.0039683 -0.0000000), wk = 0.0020747 k( 202) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020747 k( 203) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020747 k( 204) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0020747 k( 205) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0020747 k( 206) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0020747 k( 207) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0020747 k( 208) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0020747 k( 209) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0020747 k( 210) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0020747 k( 211) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0020747 k( 212) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0020747 k( 213) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0020747 k( 214) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0020747 k( 215) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0020747 k( 216) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0020747 k( 217) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0020747 k( 218) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0020747 k( 219) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0020747 k( 220) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0020747 k( 221) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0020747 k( 222) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0020747 k( 223) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0020747 k( 224) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0020747 k( 225) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0020747 k( 226) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0020747 k( 227) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0020747 k( 228) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020747 k( 229) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020747 k( 230) = ( 0.0068493 0.0000000 0.5000000), wk = 0.0020747 k( 231) = ( 0.0136986 0.0000000 0.5000000), wk = 0.0020747 k( 232) = ( 0.0205479 0.0000000 0.5000000), wk = 0.0020747 k( 233) = ( 0.0273973 0.0000000 0.5000000), wk = 0.0020747 k( 234) = ( 0.0342466 -0.0000000 0.5000000), wk = 0.0020747 k( 235) = ( 0.0410959 0.0000000 0.5000000), wk = 0.0020747 k( 236) = ( 0.0479452 0.0000000 0.5000000), wk = 0.0020747 k( 237) = ( 0.0547945 0.0000000 0.5000000), wk = 0.0020747 k( 238) = ( 0.0616438 0.0000000 0.5000000), wk = 0.0020747 k( 239) = ( 0.0684932 -0.0000000 0.5000000), wk = 0.0020747 k( 240) = ( 0.0753425 0.0000000 0.5000000), wk = 0.0020747 k( 241) = ( 0.0821918 0.0000000 0.5000000), wk = 0.0020747 k( 242) = ( 0.0890411 0.0000000 0.5000000), wk = 0.0020747 k( 243) = ( 0.0958904 0.0000000 0.5000000), wk = 0.0020747 k( 244) = ( 0.1027397 0.0000000 0.5000000), wk = 0.0020747 k( 245) = ( 0.1095890 0.0000000 0.5000000), wk = 0.0020747 k( 246) = ( 0.1164384 0.0000000 0.5000000), wk = 0.0020747 k( 247) = ( 0.1232877 0.0000000 0.5000000), wk = 0.0020747 k( 248) = ( 0.1301370 -0.0000000 0.5000000), wk = 0.0020747 k( 249) = ( 0.1369863 -0.0000000 0.5000000), wk = 0.0020747 k( 250) = ( 0.1438356 0.0000000 0.5000000), wk = 0.0020747 k( 251) = ( 0.1506849 0.0000000 0.5000000), wk = 0.0020747 k( 252) = ( 0.1575342 0.0000000 0.5000000), wk = 0.0020747 k( 253) = ( 0.1643836 0.0000000 0.5000000), wk = 0.0020747 k( 254) = ( 0.1712329 0.0000000 0.5000000), wk = 0.0020747 k( 255) = ( 0.1780822 0.0000000 0.5000000), wk = 0.0020747 k( 256) = ( 0.1849315 0.0000000 0.5000000), wk = 0.0020747 k( 257) = ( 0.1917808 0.0000000 0.5000000), wk = 0.0020747 k( 258) = ( 0.1986301 0.0000000 0.5000000), wk = 0.0020747 k( 259) = ( 0.2054795 0.0000000 0.5000000), wk = 0.0020747 k( 260) = ( 0.2123288 0.0000000 0.5000000), wk = 0.0020747 k( 261) = ( 0.2191781 0.0000000 0.5000000), wk = 0.0020747 k( 262) = ( 0.2260274 0.0000000 0.5000000), wk = 0.0020747 k( 263) = ( 0.2328767 0.0000000 0.5000000), wk = 0.0020747 k( 264) = ( 0.2397260 0.0000000 0.5000000), wk = 0.0020747 k( 265) = ( 0.2465753 0.0000000 0.5000000), wk = 0.0020747 k( 266) = ( 0.2534247 0.0000000 0.5000000), wk = 0.0020747 k( 267) = ( 0.2602740 -0.0000000 0.5000000), wk = 0.0020747 k( 268) = ( 0.2671233 0.0000000 0.5000000), wk = 0.0020747 k( 269) = ( 0.2739726 -0.0000000 0.5000000), wk = 0.0020747 k( 270) = ( 0.2808219 -0.0000000 0.5000000), wk = 0.0020747 k( 271) = ( 0.2876712 0.0000000 0.5000000), wk = 0.0020747 k( 272) = ( 0.2945205 0.0000000 0.5000000), wk = 0.0020747 k( 273) = ( 0.3013699 0.0000000 0.5000000), wk = 0.0020747 k( 274) = ( 0.3082192 0.0000000 0.5000000), wk = 0.0020747 k( 275) = ( 0.3150685 0.0000000 0.5000000), wk = 0.0020747 k( 276) = ( 0.3219178 0.0000000 0.5000000), wk = 0.0020747 k( 277) = ( 0.3287671 0.0000000 0.5000000), wk = 0.0020747 k( 278) = ( 0.3356164 0.0000000 0.5000000), wk = 0.0020747 k( 279) = ( 0.3424658 0.0000000 0.5000000), wk = 0.0020747 k( 280) = ( 0.3493151 0.0000000 0.5000000), wk = 0.0020747 k( 281) = ( 0.3561644 0.0000000 0.5000000), wk = 0.0020747 k( 282) = ( 0.3630137 0.0000000 0.5000000), wk = 0.0020747 k( 283) = ( 0.3698630 0.0000000 0.5000000), wk = 0.0020747 k( 284) = ( 0.3767123 0.0000000 0.5000000), wk = 0.0020747 k( 285) = ( 0.3835616 0.0000000 0.5000000), wk = 0.0020747 k( 286) = ( 0.3904110 0.0000000 0.5000000), wk = 0.0020747 k( 287) = ( 0.3972603 0.0000000 0.5000000), wk = 0.0020747 k( 288) = ( 0.4041096 0.0000000 0.5000000), wk = 0.0020747 k( 289) = ( 0.4109589 0.0000000 0.5000000), wk = 0.0020747 k( 290) = ( 0.4178082 0.0000000 0.5000000), wk = 0.0020747 k( 291) = ( 0.4246575 0.0000000 0.5000000), wk = 0.0020747 k( 292) = ( 0.4315068 0.0000000 0.5000000), wk = 0.0020747 k( 293) = ( 0.4383562 0.0000000 0.5000000), wk = 0.0020747 k( 294) = ( 0.4452055 0.0000000 0.5000000), wk = 0.0020747 k( 295) = ( 0.4520548 -0.0000000 0.5000000), wk = 0.0020747 k( 296) = ( 0.4589041 0.0000000 0.5000000), wk = 0.0020747 k( 297) = ( 0.4657534 0.0000000 0.5000000), wk = 0.0020747 k( 298) = ( 0.4726027 0.0000000 0.5000000), wk = 0.0020747 k( 299) = ( 0.4794521 0.0000000 0.5000000), wk = 0.0020747 k( 300) = ( 0.4863014 0.0000000 0.5000000), wk = 0.0020747 k( 301) = ( 0.4931507 0.0000000 0.5000000), wk = 0.0020747 k( 302) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020747 k( 303) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020747 k( 304) = ( 0.4960317 0.0079365 0.5000000), wk = 0.0020747 k( 305) = ( 0.4920635 0.0158730 0.5000000), wk = 0.0020747 k( 306) = ( 0.4880952 0.0238095 0.5000000), wk = 0.0020747 k( 307) = ( 0.4841270 0.0317460 0.5000000), wk = 0.0020747 k( 308) = ( 0.4801587 0.0396825 0.5000000), wk = 0.0020747 k( 309) = ( 0.4761905 0.0476191 0.5000000), wk = 0.0020747 k( 310) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0020747 k( 311) = ( 0.4682540 0.0634921 0.5000000), wk = 0.0020747 k( 312) = ( 0.4642857 0.0714286 0.5000000), wk = 0.0020747 k( 313) = ( 0.4603175 0.0793651 0.5000000), wk = 0.0020747 k( 314) = ( 0.4563492 0.0873016 0.5000000), wk = 0.0020747 k( 315) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0020747 k( 316) = ( 0.4484127 0.1031746 0.5000000), wk = 0.0020747 k( 317) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0020747 k( 318) = ( 0.4404762 0.1190476 0.5000000), wk = 0.0020747 k( 319) = ( 0.4365079 0.1269841 0.5000000), wk = 0.0020747 k( 320) = ( 0.4325397 0.1349206 0.5000000), wk = 0.0020747 k( 321) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0020747 k( 322) = ( 0.4246032 0.1507937 0.5000000), wk = 0.0020747 k( 323) = ( 0.4206349 0.1587302 0.5000000), wk = 0.0020747 k( 324) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0020747 k( 325) = ( 0.4126984 0.1746032 0.5000000), wk = 0.0020747 k( 326) = ( 0.4087302 0.1825397 0.5000000), wk = 0.0020747 k( 327) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0020747 k( 328) = ( 0.4007937 0.1984127 0.5000000), wk = 0.0020747 k( 329) = ( 0.3968254 0.2063492 0.5000000), wk = 0.0020747 k( 330) = ( 0.3928571 0.2142857 0.5000000), wk = 0.0020747 k( 331) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0020747 k( 332) = ( 0.3849206 0.2301587 0.5000000), wk = 0.0020747 k( 333) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0020747 k( 334) = ( 0.3769841 0.2460318 0.5000000), wk = 0.0020747 k( 335) = ( 0.3730159 0.2539683 0.5000000), wk = 0.0020747 k( 336) = ( 0.3690476 0.2619048 0.5000000), wk = 0.0020747 k( 337) = ( 0.3650794 0.2698413 0.5000000), wk = 0.0020747 k( 338) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0020747 k( 339) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0020747 k( 340) = ( 0.3531746 0.2936508 0.5000000), wk = 0.0020747 k( 341) = ( 0.3492063 0.3015873 0.5000000), wk = 0.0020747 k( 342) = ( 0.3452381 0.3095238 0.5000000), wk = 0.0020747 k( 343) = ( 0.3412698 0.3174603 0.5000000), wk = 0.0020747 k( 344) = ( 0.3373016 0.3253968 0.5000000), wk = 0.0020747 k( 345) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0020747 k( 346) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0020747 k( 347) = ( 0.3293651 0.3293651 0.5000000), wk = 0.0020747 k( 348) = ( 0.3253968 0.3253968 0.5000000), wk = 0.0020747 k( 349) = ( 0.3214286 0.3214286 0.5000000), wk = 0.0020747 k( 350) = ( 0.3174603 0.3174603 0.5000000), wk = 0.0020747 k( 351) = ( 0.3134921 0.3134921 0.5000000), wk = 0.0020747 k( 352) = ( 0.3095238 0.3095238 0.5000000), wk = 0.0020747 k( 353) = ( 0.3055556 0.3055556 0.5000000), wk = 0.0020747 k( 354) = ( 0.3015873 0.3015873 0.5000000), wk = 0.0020747 k( 355) = ( 0.2976190 0.2976190 0.5000000), wk = 0.0020747 k( 356) = ( 0.2936508 0.2936508 0.5000000), wk = 0.0020747 k( 357) = ( 0.2896825 0.2896825 0.5000000), wk = 0.0020747 k( 358) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0020747 k( 359) = ( 0.2817460 0.2817460 0.5000000), wk = 0.0020747 k( 360) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0020747 k( 361) = ( 0.2738095 0.2738095 0.5000000), wk = 0.0020747 k( 362) = ( 0.2698413 0.2698413 0.5000000), wk = 0.0020747 k( 363) = ( 0.2658730 0.2658730 0.5000000), wk = 0.0020747 k( 364) = ( 0.2619048 0.2619048 0.5000000), wk = 0.0020747 k( 365) = ( 0.2579365 0.2579365 0.5000000), wk = 0.0020747 k( 366) = ( 0.2539683 0.2539683 0.5000000), wk = 0.0020747 k( 367) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0020747 k( 368) = ( 0.2460317 0.2460318 0.5000000), wk = 0.0020747 k( 369) = ( 0.2420635 0.2420635 0.5000000), wk = 0.0020747 k( 370) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0020747 k( 371) = ( 0.2341270 0.2341270 0.5000000), wk = 0.0020747 k( 372) = ( 0.2301587 0.2301587 0.5000000), wk = 0.0020747 k( 373) = ( 0.2261905 0.2261905 0.5000000), wk = 0.0020747 k( 374) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0020747 k( 375) = ( 0.2182540 0.2182540 0.5000000), wk = 0.0020747 k( 376) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0020747 k( 377) = ( 0.2103175 0.2103175 0.5000000), wk = 0.0020747 k( 378) = ( 0.2063492 0.2063492 0.5000000), wk = 0.0020747 k( 379) = ( 0.2023810 0.2023810 0.5000000), wk = 0.0020747 k( 380) = ( 0.1984127 0.1984127 0.5000000), wk = 0.0020747 k( 381) = ( 0.1944444 0.1944444 0.5000000), wk = 0.0020747 k( 382) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0020747 k( 383) = ( 0.1865079 0.1865079 0.5000000), wk = 0.0020747 k( 384) = ( 0.1825397 0.1825397 0.5000000), wk = 0.0020747 k( 385) = ( 0.1785714 0.1785714 0.5000000), wk = 0.0020747 k( 386) = ( 0.1746032 0.1746032 0.5000000), wk = 0.0020747 k( 387) = ( 0.1706349 0.1706349 0.5000000), wk = 0.0020747 k( 388) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0020747 k( 389) = ( 0.1626984 0.1626984 0.5000000), wk = 0.0020747 k( 390) = ( 0.1587302 0.1587302 0.5000000), wk = 0.0020747 k( 391) = ( 0.1547619 0.1547619 0.5000000), wk = 0.0020747 k( 392) = ( 0.1507937 0.1507937 0.5000000), wk = 0.0020747 k( 393) = ( 0.1468254 0.1468254 0.5000000), wk = 0.0020747 k( 394) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0020747 k( 395) = ( 0.1388889 0.1388889 0.5000000), wk = 0.0020747 k( 396) = ( 0.1349206 0.1349206 0.5000000), wk = 0.0020747 k( 397) = ( 0.1309524 0.1309524 0.5000000), wk = 0.0020747 k( 398) = ( 0.1269841 0.1269841 0.5000000), wk = 0.0020747 k( 399) = ( 0.1230159 0.1230159 0.5000000), wk = 0.0020747 k( 400) = ( 0.1190476 0.1190476 0.5000000), wk = 0.0020747 k( 401) = ( 0.1150794 0.1150794 0.5000000), wk = 0.0020747 k( 402) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0020747 k( 403) = ( 0.1071429 0.1071429 0.5000000), wk = 0.0020747 k( 404) = ( 0.1031746 0.1031746 0.5000000), wk = 0.0020747 k( 405) = ( 0.0992063 0.0992063 0.5000000), wk = 0.0020747 k( 406) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0020747 k( 407) = ( 0.0912698 0.0912698 0.5000000), wk = 0.0020747 k( 408) = ( 0.0873016 0.0873016 0.5000000), wk = 0.0020747 k( 409) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0020747 k( 410) = ( 0.0793651 0.0793651 0.5000000), wk = 0.0020747 k( 411) = ( 0.0753968 0.0753968 0.5000000), wk = 0.0020747 k( 412) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0020747 k( 413) = ( 0.0674603 0.0674603 0.5000000), wk = 0.0020747 k( 414) = ( 0.0634921 0.0634921 0.5000000), wk = 0.0020747 k( 415) = ( 0.0595238 0.0595238 0.5000000), wk = 0.0020747 k( 416) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0020747 k( 417) = ( 0.0515873 0.0515873 0.5000000), wk = 0.0020747 k( 418) = ( 0.0476191 0.0476191 0.5000000), wk = 0.0020747 k( 419) = ( 0.0436508 0.0436508 0.5000000), wk = 0.0020747 k( 420) = ( 0.0396825 0.0396825 0.5000000), wk = 0.0020747 k( 421) = ( 0.0357143 0.0357143 0.5000000), wk = 0.0020747 k( 422) = ( 0.0317460 0.0317460 0.5000000), wk = 0.0020747 k( 423) = ( 0.0277778 0.0277778 0.5000000), wk = 0.0020747 k( 424) = ( 0.0238095 0.0238095 0.5000000), wk = 0.0020747 k( 425) = ( 0.0198413 0.0198413 0.5000000), wk = 0.0020747 k( 426) = ( 0.0158730 0.0158730 0.5000000), wk = 0.0020747 k( 427) = ( 0.0119048 0.0119048 0.5000000), wk = 0.0020747 k( 428) = ( 0.0079365 0.0079365 0.5000000), wk = 0.0020747 k( 429) = ( 0.0039683 0.0039683 0.5000000), wk = 0.0020747 k( 430) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020747 k( 431) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020747 k( 432) = ( 0.5000000 0.0000000 0.4800000), wk = 0.0020747 k( 433) = ( 0.5000000 0.0000000 0.4600000), wk = 0.0020747 k( 434) = ( 0.5000000 0.0000000 0.4400000), wk = 0.0020747 k( 435) = ( 0.5000000 0.0000000 0.4200000), wk = 0.0020747 k( 436) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0020747 k( 437) = ( 0.5000000 0.0000000 0.3800000), wk = 0.0020747 k( 438) = ( 0.5000000 0.0000000 0.3600000), wk = 0.0020747 k( 439) = ( 0.5000000 0.0000000 0.3400000), wk = 0.0020747 k( 440) = ( 0.5000000 0.0000000 0.3200000), wk = 0.0020747 k( 441) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0020747 k( 442) = ( 0.5000000 0.0000000 0.2800000), wk = 0.0020747 k( 443) = ( 0.5000000 0.0000000 0.2600000), wk = 0.0020747 k( 444) = ( 0.5000000 0.0000000 0.2400000), wk = 0.0020747 k( 445) = ( 0.5000000 0.0000000 0.2200000), wk = 0.0020747 k( 446) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0020747 k( 447) = ( 0.5000000 0.0000000 0.1800000), wk = 0.0020747 k( 448) = ( 0.5000000 0.0000000 0.1600000), wk = 0.0020747 k( 449) = ( 0.5000000 0.0000000 0.1400000), wk = 0.0020747 k( 450) = ( 0.5000000 0.0000000 0.1200000), wk = 0.0020747 k( 451) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0020747 k( 452) = ( 0.5000000 0.0000000 0.0800000), wk = 0.0020747 k( 453) = ( 0.5000000 0.0000000 0.0600000), wk = 0.0020747 k( 454) = ( 0.5000000 0.0000000 0.0400000), wk = 0.0020747 k( 455) = ( 0.5000000 0.0000000 0.0200000), wk = 0.0020747 k( 456) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0020747 k( 457) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0020747 k( 458) = ( 0.3333333 0.3333333 0.0200000), wk = 0.0020747 k( 459) = ( 0.3333333 0.3333333 0.0400000), wk = 0.0020747 k( 460) = ( 0.3333333 0.3333333 0.0600000), wk = 0.0020747 k( 461) = ( 0.3333333 0.3333333 0.0800000), wk = 0.0020747 k( 462) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0020747 k( 463) = ( 0.3333333 0.3333333 0.1200000), wk = 0.0020747 k( 464) = ( 0.3333333 0.3333333 0.1400000), wk = 0.0020747 k( 465) = ( 0.3333333 0.3333333 0.1600000), wk = 0.0020747 k( 466) = ( 0.3333333 0.3333333 0.1800000), wk = 0.0020747 k( 467) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0020747 k( 468) = ( 0.3333333 0.3333333 0.2200000), wk = 0.0020747 k( 469) = ( 0.3333333 0.3333333 0.2400000), wk = 0.0020747 k( 470) = ( 0.3333333 0.3333333 0.2600000), wk = 0.0020747 k( 471) = ( 0.3333333 0.3333333 0.2800000), wk = 0.0020747 k( 472) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0020747 k( 473) = ( 0.3333333 0.3333333 0.3200000), wk = 0.0020747 k( 474) = ( 0.3333333 0.3333333 0.3400000), wk = 0.0020747 k( 475) = ( 0.3333333 0.3333333 0.3600000), wk = 0.0020747 k( 476) = ( 0.3333333 0.3333333 0.3800000), wk = 0.0020747 k( 477) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0020747 k( 478) = ( 0.3333333 0.3333333 0.4200000), wk = 0.0020747 k( 479) = ( 0.3333333 0.3333333 0.4400000), wk = 0.0020747 k( 480) = ( 0.3333333 0.3333333 0.4600000), wk = 0.0020747 k( 481) = ( 0.3333333 0.3333333 0.4800000), wk = 0.0020747 k( 482) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0020747 Dense grid: 23717 G-vectors FFT dimensions: ( 27, 27, 72) Smooth grid: 9377 G-vectors FFT dimensions: ( 20, 20, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 60, 24) NL pseudopotentials 0.03 Mb ( 30, 56) Each V/rho on FFT grid 0.02 Mb ( 1458) Each G-vector array 0.01 Mb ( 660) G-vector shells 0.00 Mb ( 337) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.09 Mb ( 60, 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): 1.428E-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 3.0 secs Computing kpt #: 2 total cpu time spent up to now is 3.1 secs Computing kpt #: 3 total cpu time spent up to now is 3.2 secs Computing kpt #: 4 total cpu time spent up to now is 3.4 secs Computing kpt #: 5 total cpu time spent up to now is 3.5 secs Computing kpt #: 6 total cpu time spent up to now is 3.6 secs Computing kpt #: 7 total cpu time spent up to now is 3.7 secs Computing kpt #: 8 total cpu time spent up to now is 3.9 secs Computing kpt #: 9 total cpu time spent up to now is 4.0 secs Computing kpt #: 10 total cpu time spent up to now is 4.1 secs Computing kpt #: 11 total cpu time spent up to now is 4.2 secs Computing kpt #: 12 total cpu time spent up to now is 4.4 secs Computing kpt #: 13 total cpu time spent up to now is 4.5 secs Computing kpt #: 14 total cpu time spent up to now is 4.6 secs Computing kpt #: 15 total cpu time spent up to now is 4.7 secs Computing kpt #: 16 total cpu time spent up to now is 4.8 secs Computing kpt #: 17 total cpu time spent up to now is 5.0 secs Computing kpt #: 18 total cpu time spent up to now is 5.1 secs Computing kpt #: 19 total cpu time spent up to now is 5.2 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 5.5 secs Computing kpt #: 22 total cpu time spent up to now is 5.6 secs Computing kpt #: 23 total cpu time spent up to now is 5.7 secs Computing kpt #: 24 total cpu time spent up to now is 5.8 secs Computing kpt #: 25 total cpu time spent up to now is 6.0 secs Computing kpt #: 26 total cpu time spent up to now is 6.1 secs Computing kpt #: 27 total cpu time spent up to now is 6.2 secs Computing kpt #: 28 total cpu time spent up to now is 6.3 secs Computing kpt #: 29 total cpu time spent up to now is 6.4 secs Computing kpt #: 30 total cpu time spent up to now is 6.5 secs Computing kpt #: 31 total cpu time spent up to now is 6.6 secs Computing kpt #: 32 total cpu time spent up to now is 6.7 secs Computing kpt #: 33 total cpu time spent up to now is 6.8 secs Computing kpt #: 34 total cpu time spent up to now is 6.9 secs Computing kpt #: 35 total cpu time spent up to now is 7.0 secs Computing kpt #: 36 total cpu time spent up to now is 7.1 secs Computing kpt #: 37 total cpu time spent up to now is 7.2 secs Computing kpt #: 38 total cpu time spent up to now is 7.3 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 7.8 secs Computing kpt #: 45 total cpu time spent up to now is 7.9 secs Computing kpt #: 46 total cpu time spent up to now is 8.0 secs Computing kpt #: 47 total cpu time spent up to now is 8.1 secs Computing kpt #: 48 total cpu time spent up to now is 8.2 secs Computing kpt #: 49 total cpu time spent up to now is 8.3 secs Computing kpt #: 50 total cpu time spent up to now is 8.3 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 8.6 secs Computing kpt #: 54 total cpu time spent up to now is 8.7 secs Computing kpt #: 55 total cpu time spent up to now is 8.7 secs Computing kpt #: 56 total cpu time spent up to now is 8.8 secs Computing kpt #: 57 total cpu time spent up to now is 8.9 secs Computing kpt #: 58 total cpu time spent up to now is 9.0 secs Computing kpt #: 59 total cpu time spent up to now is 9.1 secs Computing kpt #: 60 total cpu time spent up to now is 9.1 secs Computing kpt #: 61 total cpu time spent up to now is 9.2 secs Computing kpt #: 62 total cpu time spent up to now is 9.3 secs Computing kpt #: 63 total cpu time spent up to now is 9.4 secs Computing kpt #: 64 total cpu time spent up to now is 9.5 secs Computing kpt #: 65 total cpu time spent up to now is 9.5 secs Computing kpt #: 66 total cpu time spent up to now is 9.6 secs Computing kpt #: 67 total cpu time spent up to now is 9.7 secs Computing kpt #: 68 total cpu time spent up to now is 9.8 secs Computing kpt #: 69 total cpu time spent up to now is 9.8 secs Computing kpt #: 70 total cpu time spent up to now is 9.9 secs Computing kpt #: 71 total cpu time spent up to now is 10.0 secs Computing kpt #: 72 total cpu time spent up to now is 10.1 secs Computing kpt #: 73 total cpu time spent up to now is 10.1 secs Computing kpt #: 74 total cpu time spent up to now is 10.2 secs Computing kpt #: 75 total cpu time spent up to now is 10.3 secs Computing kpt #: 76 total cpu time spent up to now is 10.3 secs Computing kpt #: 77 total cpu time spent up to now is 10.4 secs Computing kpt #: 78 total cpu time spent up to now is 10.5 secs Computing kpt #: 79 total cpu time spent up to now is 10.5 secs Computing kpt #: 80 total cpu time spent up to now is 10.6 secs Computing kpt #: 81 total cpu time spent up to now is 10.7 secs Computing kpt #: 82 total cpu time spent up to now is 10.8 secs Computing kpt #: 83 total cpu time spent up to now is 10.9 secs Computing kpt #: 84 total cpu time spent up to now is 10.9 secs Computing kpt #: 85 total cpu time spent up to now is 11.0 secs Computing kpt #: 86 total cpu time spent up to now is 11.1 secs Computing kpt #: 87 total cpu time spent up to now is 11.2 secs Computing kpt #: 88 total cpu time spent up to now is 11.2 secs Computing kpt #: 89 total cpu time spent up to now is 11.3 secs Computing kpt #: 90 total cpu time spent up to now is 11.4 secs Computing kpt #: 91 total cpu time spent up to now is 11.5 secs Computing kpt #: 92 total cpu time spent up to now is 11.5 secs Computing kpt #: 93 total cpu time spent up to now is 11.6 secs Computing kpt #: 94 total cpu time spent up to now is 11.7 secs Computing kpt #: 95 total cpu time spent up to now is 11.8 secs Computing kpt #: 96 total cpu time spent up to now is 11.8 secs Computing kpt #: 97 total cpu time spent up to now is 11.9 secs Computing kpt #: 98 total cpu time spent up to now is 12.0 secs Computing kpt #: 99 total cpu time spent up to now is 12.1 secs Computing kpt #: 100 total cpu time spent up to now is 12.2 secs Computing kpt #: 101 total cpu time spent up to now is 12.2 secs Computing kpt #: 102 total cpu time spent up to now is 12.3 secs Computing kpt #: 103 total cpu time spent up to now is 12.5 secs Computing kpt #: 104 total cpu time spent up to now is 12.6 secs Computing kpt #: 105 total cpu time spent up to now is 12.7 secs Computing kpt #: 106 total cpu time spent up to now is 12.9 secs Computing kpt #: 107 total cpu time spent up to now is 13.0 secs Computing kpt #: 108 total cpu time spent up to now is 13.1 secs Computing kpt #: 109 total cpu time spent up to now is 13.2 secs Computing kpt #: 110 total cpu time spent up to now is 13.3 secs Computing kpt #: 111 total cpu time spent up to now is 13.4 secs Computing kpt #: 112 total cpu time spent up to now is 13.5 secs Computing kpt #: 113 total cpu time spent up to now is 13.6 secs Computing kpt #: 114 total cpu time spent up to now is 13.7 secs Computing kpt #: 115 total cpu time spent up to now is 13.8 secs Computing kpt #: 116 total cpu time spent up to now is 13.9 secs Computing kpt #: 117 total cpu time spent up to now is 14.0 secs Computing kpt #: 118 total cpu time spent up to now is 14.1 secs Computing kpt #: 119 total cpu time spent up to now is 14.3 secs Computing kpt #: 120 total cpu time spent up to now is 14.4 secs Computing kpt #: 121 total cpu time spent up to now is 14.5 secs Computing kpt #: 122 total cpu time spent up to now is 14.7 secs Computing kpt #: 123 total cpu time spent up to now is 14.8 secs Computing kpt #: 124 total cpu time spent up to now is 14.9 secs Computing kpt #: 125 total cpu time spent up to now is 15.1 secs Computing kpt #: 126 total cpu time spent up to now is 15.2 secs Computing kpt #: 127 total cpu time spent up to now is 15.3 secs Computing kpt #: 128 total cpu time spent up to now is 15.4 secs Computing kpt #: 129 total cpu time spent up to now is 15.6 secs Computing kpt #: 130 total cpu time spent up to now is 15.7 secs Computing kpt #: 131 total cpu time spent up to now is 15.8 secs Computing kpt #: 132 total cpu time spent up to now is 16.0 secs Computing kpt #: 133 total cpu time spent up to now is 16.1 secs Computing kpt #: 134 total cpu time spent up to now is 16.2 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 16.7 secs Computing kpt #: 138 total cpu time spent up to now is 16.8 secs Computing kpt #: 139 total cpu time spent up to now is 17.0 secs Computing kpt #: 140 total cpu time spent up to now is 17.2 secs Computing kpt #: 141 total cpu time spent up to now is 17.4 secs Computing kpt #: 142 total cpu time spent up to now is 17.6 secs Computing kpt #: 143 total cpu time spent up to now is 17.7 secs Computing kpt #: 144 total cpu time spent up to now is 17.8 secs Computing kpt #: 145 total cpu time spent up to now is 18.0 secs Computing kpt #: 146 total cpu time spent up to now is 18.1 secs Computing kpt #: 147 total cpu time spent up to now is 18.2 secs Computing kpt #: 148 total cpu time spent up to now is 18.3 secs Computing kpt #: 149 total cpu time spent up to now is 18.5 secs Computing kpt #: 150 total cpu time spent up to now is 18.6 secs Computing kpt #: 151 total cpu time spent up to now is 18.7 secs Computing kpt #: 152 total cpu time spent up to now is 18.9 secs Computing kpt #: 153 total cpu time spent up to now is 19.1 secs Computing kpt #: 154 total cpu time spent up to now is 19.3 secs Computing kpt #: 155 total cpu time spent up to now is 19.4 secs Computing kpt #: 156 total cpu time spent up to now is 19.6 secs Computing kpt #: 157 total cpu time spent up to now is 19.8 secs Computing kpt #: 158 total cpu time spent up to now is 19.9 secs Computing kpt #: 159 total cpu time spent up to now is 20.1 secs Computing kpt #: 160 total cpu time spent up to now is 20.2 secs Computing kpt #: 161 total cpu time spent up to now is 20.3 secs Computing kpt #: 162 total cpu time spent up to now is 20.4 secs Computing kpt #: 163 total cpu time spent up to now is 20.5 secs Computing kpt #: 164 total cpu time spent up to now is 20.7 secs Computing kpt #: 165 total cpu time spent up to now is 20.8 secs Computing kpt #: 166 total cpu time spent up to now is 20.9 secs Computing kpt #: 167 total cpu time spent up to now is 21.0 secs Computing kpt #: 168 total cpu time spent up to now is 21.1 secs Computing kpt #: 169 total cpu time spent up to now is 21.2 secs Computing kpt #: 170 total cpu time spent up to now is 21.3 secs Computing kpt #: 171 total cpu time spent up to now is 21.5 secs Computing kpt #: 172 total cpu time spent up to now is 21.6 secs Computing kpt #: 173 total cpu time spent up to now is 21.7 secs Computing kpt #: 174 total cpu time spent up to now is 21.8 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 22.3 secs Computing kpt #: 179 total cpu time spent up to now is 22.4 secs Computing kpt #: 180 total cpu time spent up to now is 22.5 secs Computing kpt #: 181 total cpu time spent up to now is 22.6 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 23.0 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 23.5 secs Computing kpt #: 189 total cpu time spent up to now is 23.6 secs Computing kpt #: 190 total cpu time spent up to now is 23.7 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 24.1 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 24.4 secs Computing kpt #: 197 total cpu time spent up to now is 24.5 secs Computing kpt #: 198 total cpu time spent up to now is 24.6 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 24.9 secs Computing kpt #: 201 total cpu time spent up to now is 25.0 secs Computing kpt #: 202 total cpu time spent up to now is 25.1 secs Computing kpt #: 203 total cpu time spent up to now is 25.2 secs Computing kpt #: 204 total cpu time spent up to now is 25.3 secs Computing kpt #: 205 total cpu time spent up to now is 25.5 secs Computing kpt #: 206 total cpu time spent up to now is 25.6 secs Computing kpt #: 207 total cpu time spent up to now is 25.7 secs Computing kpt #: 208 total cpu time spent up to now is 25.8 secs Computing kpt #: 209 total cpu time spent up to now is 25.9 secs Computing kpt #: 210 total cpu time spent up to now is 26.1 secs Computing kpt #: 211 total cpu time spent up to now is 26.2 secs Computing kpt #: 212 total cpu time spent up to now is 26.3 secs Computing kpt #: 213 total cpu time spent up to now is 26.4 secs Computing kpt #: 214 total cpu time spent up to now is 26.6 secs Computing kpt #: 215 total cpu time spent up to now is 26.7 secs Computing kpt #: 216 total cpu time spent up to now is 26.8 secs Computing kpt #: 217 total cpu time spent up to now is 26.9 secs Computing kpt #: 218 total cpu time spent up to now is 27.0 secs Computing kpt #: 219 total cpu time spent up to now is 27.2 secs Computing kpt #: 220 total cpu time spent up to now is 27.3 secs Computing kpt #: 221 total cpu time spent up to now is 27.4 secs Computing kpt #: 222 total cpu time spent up to now is 27.6 secs Computing kpt #: 223 total cpu time spent up to now is 27.7 secs Computing kpt #: 224 total cpu time spent up to now is 27.8 secs Computing kpt #: 225 total cpu time spent up to now is 27.9 secs Computing kpt #: 226 total cpu time spent up to now is 28.0 secs Computing kpt #: 227 total cpu time spent up to now is 28.2 secs Computing kpt #: 228 total cpu time spent up to now is 28.3 secs Computing kpt #: 229 total cpu time spent up to now is 28.4 secs Computing kpt #: 230 total cpu time spent up to now is 28.5 secs Computing kpt #: 231 total cpu time spent up to now is 28.7 secs Computing kpt #: 232 total cpu time spent up to now is 28.8 secs Computing kpt #: 233 total cpu time spent up to now is 28.9 secs Computing kpt #: 234 total cpu time spent up to now is 29.0 secs Computing kpt #: 235 total cpu time spent up to now is 29.2 secs Computing kpt #: 236 total cpu time spent up to now is 29.3 secs Computing kpt #: 237 total cpu time spent up to now is 29.4 secs Computing kpt #: 238 total cpu time spent up to now is 29.5 secs Computing kpt #: 239 total cpu time spent up to now is 29.6 secs Computing kpt #: 240 total cpu time spent up to now is 29.7 secs Computing kpt #: 241 total cpu time spent up to now is 29.8 secs Computing kpt #: 242 total cpu time spent up to now is 29.9 secs Computing kpt #: 243 total cpu time spent up to now is 30.0 secs Computing kpt #: 244 total cpu time spent up to now is 30.1 secs Computing kpt #: 245 total cpu time spent up to now is 30.2 secs Computing kpt #: 246 total cpu time spent up to now is 30.3 secs Computing kpt #: 247 total cpu time spent up to now is 30.4 secs Computing kpt #: 248 total cpu time spent up to now is 30.5 secs Computing kpt #: 249 total cpu time spent up to now is 30.6 secs Computing kpt #: 250 total cpu time spent up to now is 30.7 secs Computing kpt #: 251 total cpu time spent up to now is 30.8 secs Computing kpt #: 252 total cpu time spent up to now is 30.9 secs Computing kpt #: 253 total cpu time spent up to now is 31.0 secs Computing kpt #: 254 total cpu time spent up to now is 31.1 secs Computing kpt #: 255 total cpu time spent up to now is 31.2 secs Computing kpt #: 256 total cpu time spent up to now is 31.3 secs Computing kpt #: 257 total cpu time spent up to now is 31.4 secs Computing kpt #: 258 total cpu time spent up to now is 31.5 secs Computing kpt #: 259 total cpu time spent up to now is 31.6 secs Computing kpt #: 260 total cpu time spent up to now is 31.7 secs Computing kpt #: 261 total cpu time spent up to now is 31.8 secs Computing kpt #: 262 total cpu time spent up to now is 31.9 secs Computing kpt #: 263 total cpu time spent up to now is 32.0 secs Computing kpt #: 264 total cpu time spent up to now is 32.0 secs Computing kpt #: 265 total cpu time spent up to now is 32.1 secs Computing kpt #: 266 total cpu time spent up to now is 32.2 secs Computing kpt #: 267 total cpu time spent up to now is 32.3 secs Computing kpt #: 268 total cpu time spent up to now is 32.4 secs Computing kpt #: 269 total cpu time spent up to now is 32.5 secs Computing kpt #: 270 total cpu time spent up to now is 32.5 secs Computing kpt #: 271 total cpu time spent up to now is 32.6 secs Computing kpt #: 272 total cpu time spent up to now is 32.7 secs Computing kpt #: 273 total cpu time spent up to now is 32.8 secs Computing kpt #: 274 total cpu time spent up to now is 32.9 secs Computing kpt #: 275 total cpu time spent up to now is 32.9 secs Computing kpt #: 276 total cpu time spent up to now is 33.0 secs Computing kpt #: 277 total cpu time spent up to now is 33.1 secs Computing kpt #: 278 total cpu time spent up to now is 33.2 secs Computing kpt #: 279 total cpu time spent up to now is 33.2 secs Computing kpt #: 280 total cpu time spent up to now is 33.3 secs Computing kpt #: 281 total cpu time spent up to now is 33.4 secs Computing kpt #: 282 total cpu time spent up to now is 33.5 secs Computing kpt #: 283 total cpu time spent up to now is 33.6 secs Computing kpt #: 284 total cpu time spent up to now is 33.6 secs Computing kpt #: 285 total cpu time spent up to now is 33.7 secs Computing kpt #: 286 total cpu time spent up to now is 33.8 secs Computing kpt #: 287 total cpu time spent up to now is 33.8 secs Computing kpt #: 288 total cpu time spent up to now is 33.9 secs Computing kpt #: 289 total cpu time spent up to now is 34.0 secs Computing kpt #: 290 total cpu time spent up to now is 34.1 secs Computing kpt #: 291 total cpu time spent up to now is 34.1 secs Computing kpt #: 292 total cpu time spent up to now is 34.2 secs Computing kpt #: 293 total cpu time spent up to now is 34.3 secs Computing kpt #: 294 total cpu time spent up to now is 34.4 secs Computing kpt #: 295 total cpu time spent up to now is 34.4 secs Computing kpt #: 296 total cpu time spent up to now is 34.5 secs Computing kpt #: 297 total cpu time spent up to now is 34.6 secs Computing kpt #: 298 total cpu time spent up to now is 34.6 secs Computing kpt #: 299 total cpu time spent up to now is 34.7 secs Computing kpt #: 300 total cpu time spent up to now is 34.8 secs Computing kpt #: 301 total cpu time spent up to now is 34.9 secs Computing kpt #: 302 total cpu time spent up to now is 34.9 secs Computing kpt #: 303 total cpu time spent up to now is 35.0 secs Computing kpt #: 304 total cpu time spent up to now is 35.1 secs Computing kpt #: 305 total cpu time spent up to now is 35.1 secs Computing kpt #: 306 total cpu time spent up to now is 35.2 secs Computing kpt #: 307 total cpu time spent up to now is 35.3 secs Computing kpt #: 308 total cpu time spent up to now is 35.4 secs Computing kpt #: 309 total cpu time spent up to now is 35.4 secs Computing kpt #: 310 total cpu time spent up to now is 35.5 secs Computing kpt #: 311 total cpu time spent up to now is 35.6 secs Computing kpt #: 312 total cpu time spent up to now is 35.7 secs Computing kpt #: 313 total cpu time spent up to now is 35.7 secs Computing kpt #: 314 total cpu time spent up to now is 35.8 secs Computing kpt #: 315 total cpu time spent up to now is 35.9 secs Computing kpt #: 316 total cpu time spent up to now is 36.0 secs Computing kpt #: 317 total cpu time spent up to now is 36.0 secs Computing kpt #: 318 total cpu time spent up to now is 36.1 secs Computing kpt #: 319 total cpu time spent up to now is 36.2 secs Computing kpt #: 320 total cpu time spent up to now is 36.3 secs Computing kpt #: 321 total cpu time spent up to now is 36.3 secs Computing kpt #: 322 total cpu time spent up to now is 36.4 secs Computing kpt #: 323 total cpu time spent up to now is 36.5 secs Computing kpt #: 324 total cpu time spent up to now is 36.6 secs Computing kpt #: 325 total cpu time spent up to now is 36.7 secs Computing kpt #: 326 total cpu time spent up to now is 36.8 secs Computing kpt #: 327 total cpu time spent up to now is 36.9 secs Computing kpt #: 328 total cpu time spent up to now is 37.0 secs Computing kpt #: 329 total cpu time spent up to now is 37.1 secs Computing kpt #: 330 total cpu time spent up to now is 37.2 secs Computing kpt #: 331 total cpu time spent up to now is 37.4 secs Computing kpt #: 332 total cpu time spent up to now is 37.5 secs Computing kpt #: 333 total cpu time spent up to now is 37.6 secs Computing kpt #: 334 total cpu time spent up to now is 37.7 secs Computing kpt #: 335 total cpu time spent up to now is 37.8 secs Computing kpt #: 336 total cpu time spent up to now is 37.9 secs Computing kpt #: 337 total cpu time spent up to now is 37.9 secs Computing kpt #: 338 total cpu time spent up to now is 38.0 secs Computing kpt #: 339 total cpu time spent up to now is 38.1 secs Computing kpt #: 340 total cpu time spent up to now is 38.2 secs Computing kpt #: 341 total cpu time spent up to now is 38.3 secs Computing kpt #: 342 total cpu time spent up to now is 38.4 secs Computing kpt #: 343 total cpu time spent up to now is 38.5 secs Computing kpt #: 344 total cpu time spent up to now is 38.6 secs Computing kpt #: 345 total cpu time spent up to now is 38.7 secs Computing kpt #: 346 total cpu time spent up to now is 38.8 secs Computing kpt #: 347 total cpu time spent up to now is 38.8 secs Computing kpt #: 348 total cpu time spent up to now is 38.9 secs Computing kpt #: 349 total cpu time spent up to now is 39.0 secs Computing kpt #: 350 total cpu time spent up to now is 39.1 secs Computing kpt #: 351 total cpu time spent up to now is 39.2 secs Computing kpt #: 352 total cpu time spent up to now is 39.3 secs Computing kpt #: 353 total cpu time spent up to now is 39.4 secs Computing kpt #: 354 total cpu time spent up to now is 39.5 secs Computing kpt #: 355 total cpu time spent up to now is 39.6 secs Computing kpt #: 356 total cpu time spent up to now is 39.7 secs Computing kpt #: 357 total cpu time spent up to now is 39.8 secs Computing kpt #: 358 total cpu time spent up to now is 39.9 secs Computing kpt #: 359 total cpu time spent up to now is 40.0 secs Computing kpt #: 360 total cpu time spent up to now is 40.1 secs Computing kpt #: 361 total cpu time spent up to now is 40.2 secs Computing kpt #: 362 total cpu time spent up to now is 40.3 secs Computing kpt #: 363 total cpu time spent up to now is 40.4 secs Computing kpt #: 364 total cpu time spent up to now is 40.5 secs Computing kpt #: 365 total cpu time spent up to now is 40.6 secs Computing kpt #: 366 total cpu time spent up to now is 40.7 secs Computing kpt #: 367 total cpu time spent up to now is 40.8 secs Computing kpt #: 368 total cpu time spent up to now is 40.9 secs Computing kpt #: 369 total cpu time spent up to now is 41.0 secs Computing kpt #: 370 total cpu time spent up to now is 41.1 secs Computing kpt #: 371 total cpu time spent up to now is 41.2 secs Computing kpt #: 372 total cpu time spent up to now is 41.3 secs Computing kpt #: 373 total cpu time spent up to now is 41.3 secs Computing kpt #: 374 total cpu time spent up to now is 41.4 secs Computing kpt #: 375 total cpu time spent up to now is 41.5 secs Computing kpt #: 376 total cpu time spent up to now is 41.6 secs Computing kpt #: 377 total cpu time spent up to now is 41.7 secs Computing kpt #: 378 total cpu time spent up to now is 41.8 secs Computing kpt #: 379 total cpu time spent up to now is 41.9 secs Computing kpt #: 380 total cpu time spent up to now is 42.0 secs Computing kpt #: 381 total cpu time spent up to now is 42.0 secs Computing kpt #: 382 total cpu time spent up to now is 42.1 secs Computing kpt #: 383 total cpu time spent up to now is 42.2 secs Computing kpt #: 384 total cpu time spent up to now is 42.3 secs Computing kpt #: 385 total cpu time spent up to now is 42.4 secs Computing kpt #: 386 total cpu time spent up to now is 42.5 secs Computing kpt #: 387 total cpu time spent up to now is 42.6 secs Computing kpt #: 388 total cpu time spent up to now is 42.7 secs Computing kpt #: 389 total cpu time spent up to now is 42.8 secs Computing kpt #: 390 total cpu time spent up to now is 42.9 secs Computing kpt #: 391 total cpu time spent up to now is 43.0 secs Computing kpt #: 392 total cpu time spent up to now is 43.1 secs Computing kpt #: 393 total cpu time spent up to now is 43.2 secs Computing kpt #: 394 total cpu time spent up to now is 43.3 secs Computing kpt #: 395 total cpu time spent up to now is 43.4 secs Computing kpt #: 396 total cpu time spent up to now is 43.5 secs Computing kpt #: 397 total cpu time spent up to now is 43.6 secs Computing kpt #: 398 total cpu time spent up to now is 43.6 secs Computing kpt #: 399 total cpu time spent up to now is 43.7 secs Computing kpt #: 400 total cpu time spent up to now is 43.8 secs Computing kpt #: 401 total cpu time spent up to now is 43.9 secs Computing kpt #: 402 total cpu time spent up to now is 44.0 secs Computing kpt #: 403 total cpu time spent up to now is 44.1 secs Computing kpt #: 404 total cpu time spent up to now is 44.2 secs Computing kpt #: 405 total cpu time spent up to now is 44.3 secs Computing kpt #: 406 total cpu time spent up to now is 44.4 secs Computing kpt #: 407 total cpu time spent up to now is 44.6 secs Computing kpt #: 408 total cpu time spent up to now is 44.7 secs Computing kpt #: 409 total cpu time spent up to now is 44.8 secs Computing kpt #: 410 total cpu time spent up to now is 44.9 secs Computing kpt #: 411 total cpu time spent up to now is 45.0 secs Computing kpt #: 412 total cpu time spent up to now is 45.1 secs Computing kpt #: 413 total cpu time spent up to now is 45.2 secs Computing kpt #: 414 total cpu time spent up to now is 45.3 secs Computing kpt #: 415 total cpu time spent up to now is 45.4 secs Computing kpt #: 416 total cpu time spent up to now is 45.5 secs Computing kpt #: 417 total cpu time spent up to now is 45.6 secs Computing kpt #: 418 total cpu time spent up to now is 45.7 secs Computing kpt #: 419 total cpu time spent up to now is 45.8 secs Computing kpt #: 420 total cpu time spent up to now is 45.9 secs Computing kpt #: 421 total cpu time spent up to now is 46.0 secs Computing kpt #: 422 total cpu time spent up to now is 46.1 secs Computing kpt #: 423 total cpu time spent up to now is 46.2 secs Computing kpt #: 424 total cpu time spent up to now is 46.3 secs Computing kpt #: 425 total cpu time spent up to now is 46.5 secs Computing kpt #: 426 total cpu time spent up to now is 46.6 secs Computing kpt #: 427 total cpu time spent up to now is 46.7 secs Computing kpt #: 428 total cpu time spent up to now is 46.8 secs Computing kpt #: 429 total cpu time spent up to now is 46.9 secs Computing kpt #: 430 total cpu time spent up to now is 47.1 secs Computing kpt #: 431 total cpu time spent up to now is 47.1 secs Computing kpt #: 432 total cpu time spent up to now is 47.2 secs Computing kpt #: 433 total cpu time spent up to now is 47.3 secs Computing kpt #: 434 total cpu time spent up to now is 47.3 secs Computing kpt #: 435 total cpu time spent up to now is 47.4 secs Computing kpt #: 436 total cpu time spent up to now is 47.5 secs Computing kpt #: 437 total cpu time spent up to now is 47.6 secs Computing kpt #: 438 total cpu time spent up to now is 47.6 secs Computing kpt #: 439 total cpu time spent up to now is 47.7 secs Computing kpt #: 440 total cpu time spent up to now is 47.8 secs Computing kpt #: 441 total cpu time spent up to now is 47.8 secs Computing kpt #: 442 total cpu time spent up to now is 47.9 secs Computing kpt #: 443 total cpu time spent up to now is 48.0 secs Computing kpt #: 444 total cpu time spent up to now is 48.0 secs Computing kpt #: 445 total cpu time spent up to now is 48.1 secs Computing kpt #: 446 total cpu time spent up to now is 48.2 secs Computing kpt #: 447 total cpu time spent up to now is 48.3 secs Computing kpt #: 448 total cpu time spent up to now is 48.3 secs Computing kpt #: 449 total cpu time spent up to now is 48.4 secs Computing kpt #: 450 total cpu time spent up to now is 48.5 secs Computing kpt #: 451 total cpu time spent up to now is 48.5 secs Computing kpt #: 452 total cpu time spent up to now is 48.6 secs Computing kpt #: 453 total cpu time spent up to now is 48.7 secs Computing kpt #: 454 total cpu time spent up to now is 48.7 secs Computing kpt #: 455 total cpu time spent up to now is 48.8 secs Computing kpt #: 456 total cpu time spent up to now is 48.9 secs Computing kpt #: 457 total cpu time spent up to now is 49.0 secs Computing kpt #: 458 total cpu time spent up to now is 49.1 secs Computing kpt #: 459 total cpu time spent up to now is 49.2 secs Computing kpt #: 460 total cpu time spent up to now is 49.2 secs Computing kpt #: 461 total cpu time spent up to now is 49.3 secs Computing kpt #: 462 total cpu time spent up to now is 49.4 secs Computing kpt #: 463 total cpu time spent up to now is 49.5 secs Computing kpt #: 464 total cpu time spent up to now is 49.6 secs Computing kpt #: 465 total cpu time spent up to now is 49.7 secs Computing kpt #: 466 total cpu time spent up to now is 49.8 secs Computing kpt #: 467 total cpu time spent up to now is 49.9 secs Computing kpt #: 468 total cpu time spent up to now is 50.1 secs Computing kpt #: 469 total cpu time spent up to now is 50.2 secs Computing kpt #: 470 total cpu time spent up to now is 50.3 secs Computing kpt #: 471 total cpu time spent up to now is 50.4 secs Computing kpt #: 472 total cpu time spent up to now is 50.5 secs Computing kpt #: 473 total cpu time spent up to now is 50.6 secs Computing kpt #: 474 total cpu time spent up to now is 50.6 secs Computing kpt #: 475 total cpu time spent up to now is 50.7 secs Computing kpt #: 476 total cpu time spent up to now is 50.8 secs Computing kpt #: 477 total cpu time spent up to now is 50.9 secs Computing kpt #: 478 total cpu time spent up to now is 51.0 secs Computing kpt #: 479 total cpu time spent up to now is 51.1 secs Computing kpt #: 480 total cpu time spent up to now is 51.2 secs Computing kpt #: 481 total cpu time spent up to now is 51.2 secs Computing kpt #: 482 total cpu time spent up to now is 51.3 secs ethr = 6.25E-08, avg # of iterations = 17.0 total cpu time spent up to now is 51.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1143 PWs) bands (ev): -12.9375 -12.9375 -12.6111 -12.6111 -1.3833 -1.3833 0.8820 0.8820 3.5869 3.5869 3.5921 3.5921 3.6000 3.6000 3.6052 3.6052 10.2183 10.2183 15.2615 15.2615 16.6329 16.6329 16.6392 16.6392 k = 0.0068 0.0040-0.0000 ( 1143 PWs) bands (ev): -12.9366 -12.9366 -12.6102 -12.6102 -1.3821 -1.3821 0.8831 0.8831 3.5837 3.5837 3.5889 3.5889 3.5973 3.5973 3.6024 3.6024 10.2201 10.2201 15.2606 15.2606 16.6340 16.6340 16.6418 16.6418 k = 0.0137 0.0079-0.0000 ( 1145 PWs) bands (ev): -12.9338 -12.9338 -12.6076 -12.6076 -1.3782 -1.3782 0.8865 0.8865 3.5731 3.5731 3.5791 3.5791 3.5895 3.5895 3.5953 3.5953 10.2254 10.2254 15.2580 15.2580 16.6336 16.6336 16.6531 16.6531 k = 0.0205 0.0119-0.0000 ( 1149 PWs) bands (ev): -12.9292 -12.9292 -12.6031 -12.6031 -1.3718 -1.3718 0.8921 0.8921 3.5534 3.5534 3.5622 3.5622 3.5775 3.5775 3.5853 3.5853 10.2343 10.2343 15.2536 15.2536 16.6311 16.6311 16.6546 16.6546 k = 0.0274 0.0158-0.0000 ( 1149 PWs) bands (ev): -12.9227 -12.9227 -12.5969 -12.5969 -1.3629 -1.3629 0.9000 0.9000 3.5250 3.5250 3.5369 3.5369 3.5624 3.5624 3.5727 3.5727 10.2468 10.2468 15.2474 15.2474 16.6259 16.6259 16.6451 16.6451 k = 0.0342 0.0198-0.0000 ( 1149 PWs) bands (ev): -12.9144 -12.9144 -12.5889 -12.5889 -1.3514 -1.3514 0.9101 0.9101 3.4883 3.4883 3.5034 3.5034 3.5442 3.5442 3.5569 3.5569 10.2627 10.2627 15.2394 15.2394 16.6159 16.6159 16.6370 16.6370 k = 0.0411 0.0237-0.0000 ( 1151 PWs) bands (ev): -12.9043 -12.9043 -12.5792 -12.5792 -1.3373 -1.3373 0.9225 0.9225 3.4438 3.4438 3.4622 3.4622 3.5228 3.5228 3.5378 3.5378 10.2819 10.2819 15.2294 15.2294 16.6007 16.6007 16.6310 16.6310 k = 0.0479 0.0277-0.0000 ( 1153 PWs) bands (ev): -12.8923 -12.8923 -12.5676 -12.5676 -1.3207 -1.3207 0.9370 0.9370 3.3918 3.3918 3.4135 3.4135 3.4981 3.4981 3.5153 3.5153 10.3045 10.3045 15.2175 15.2175 16.5821 16.5821 16.6257 16.6257 k = 0.0548 0.0316-0.0000 ( 1157 PWs) bands (ev): -12.8785 -12.8785 -12.5544 -12.5544 -1.3016 -1.3016 0.9538 0.9538 3.3324 3.3324 3.3574 3.3574 3.4701 3.4701 3.4896 3.4896 10.3302 10.3302 15.2035 15.2035 16.5614 16.5614 16.6201 16.6201 k = 0.0616 0.0356-0.0000 ( 1161 PWs) bands (ev): -12.8629 -12.8629 -12.5393 -12.5393 -1.2799 -1.2799 0.9728 0.9728 3.2659 3.2659 3.2946 3.2946 3.4390 3.4390 3.4606 3.4606 10.3591 10.3591 15.1873 15.1873 16.5389 16.5389 16.6141 16.6141 k = 0.0685 0.0395-0.0000 ( 1161 PWs) bands (ev): -12.8454 -12.8454 -12.5225 -12.5225 -1.2557 -1.2557 0.9941 0.9941 3.1927 3.1927 3.2250 3.2250 3.4048 3.4048 3.4286 3.4286 10.3910 10.3910 15.1688 15.1688 16.5153 16.5153 16.6074 16.6074 k = 0.0753 0.0435-0.0000 ( 1161 PWs) bands (ev): -12.8262 -12.8262 -12.5040 -12.5040 -1.2290 -1.2290 1.0176 1.0176 3.1130 3.1130 3.1491 3.1491 3.3678 3.3678 3.3937 3.3937 10.4258 10.4258 15.1479 15.1479 16.4906 16.4906 16.6001 16.6001 k = 0.0822 0.0475-0.0000 ( 1161 PWs) bands (ev): -12.8051 -12.8051 -12.4837 -12.4837 -1.1997 -1.1997 1.0432 1.0432 3.0269 3.0269 3.0670 3.0670 3.3281 3.3281 3.3560 3.3560 10.4634 10.4634 15.1244 15.1244 16.4650 16.4650 16.5921 16.5921 k = 0.0890 0.0514-0.0000 ( 1161 PWs) bands (ev): -12.7822 -12.7822 -12.4617 -12.4617 -1.1679 -1.1679 1.0711 1.0711 2.9350 2.9350 2.9790 2.9790 3.2858 3.2858 3.3157 3.3157 10.5037 10.5037 15.0983 15.0983 16.4387 16.4387 16.5833 16.5833 k = 0.0959 0.0554-0.0000 ( 1165 PWs) bands (ev): -12.7575 -12.7575 -12.4380 -12.4380 -1.1336 -1.1336 1.1011 1.1011 2.8372 2.8372 2.8853 2.8853 3.2410 3.2410 3.2729 3.2729 10.5466 10.5466 15.0692 15.0692 16.4117 16.4117 16.5739 16.5739 k = 0.1027 0.0593-0.0000 ( 1165 PWs) bands (ev): -12.7310 -12.7310 -12.4125 -12.4125 -1.0968 -1.0968 1.1332 1.1332 2.7341 2.7341 2.7864 2.7864 3.1940 3.1940 3.2277 3.2277 10.5920 10.5920 15.0371 15.0371 16.3842 16.3842 16.5639 16.5639 k = 0.1096 0.0633-0.0000 ( 1169 PWs) bands (ev): -12.7028 -12.7028 -12.3854 -12.3854 -1.0575 -1.0575 1.1675 1.1675 2.6261 2.6261 2.6823 2.6823 3.1448 3.1448 3.1804 3.1804 10.6398 10.6398 15.0018 15.0018 16.3562 16.3562 16.5532 16.5532 k = 0.1164 0.0672-0.0000 ( 1167 PWs) bands (ev): -12.6728 -12.6728 -12.3566 -12.3566 -1.0157 -1.0157 1.2039 1.2039 2.5133 2.5133 2.5737 2.5737 3.0937 3.0937 3.1312 3.1312 10.6899 10.6899 14.9632 14.9632 16.3277 16.3277 16.5421 16.5421 k = 0.1233 0.0712-0.0000 ( 1167 PWs) bands (ev): -12.6410 -12.6410 -12.3261 -12.3261 -0.9715 -0.9715 1.2425 1.2425 2.3960 2.3960 2.4605 2.4605 3.0409 3.0409 3.0801 3.0801 10.7423 10.7423 14.9210 14.9210 16.2988 16.2988 16.5305 16.5305 k = 0.1301 0.0751-0.0000 ( 1165 PWs) bands (ev): -12.6075 -12.6075 -12.2939 -12.2939 -0.9247 -0.9247 1.2831 1.2831 2.2746 2.2746 2.3432 2.3432 2.9865 2.9865 3.0273 3.0273 10.7968 10.7968 14.8751 14.8751 16.2696 16.2696 16.5184 16.5184 k = 0.1370 0.0791-0.0000 ( 1165 PWs) bands (ev): -12.5723 -12.5723 -12.2600 -12.2600 -0.8756 -0.8756 1.3257 1.3257 2.1492 2.1492 2.2220 2.2220 2.9306 2.9306 2.9731 2.9731 10.8534 10.8534 14.8253 14.8253 16.2401 16.2401 16.5060 16.5060 k = 0.1438 0.0830-0.0000 ( 1157 PWs) bands (ev): -12.5353 -12.5353 -12.2246 -12.2246 -0.8239 -0.8239 1.3705 1.3705 2.0203 2.0203 2.0973 2.0973 2.8736 2.8736 2.9177 2.9177 10.9121 10.9121 14.7715 14.7715 16.2103 16.2103 16.4934 16.4934 k = 0.1507 0.0870-0.0000 ( 1157 PWs) bands (ev): -12.4967 -12.4967 -12.1875 -12.1875 -0.7699 -0.7699 1.4172 1.4172 1.8881 1.8881 1.9691 1.9691 2.8154 2.8154 2.8609 2.8609 10.9727 10.9727 14.7134 14.7134 16.1803 16.1803 16.4806 16.4806 k = 0.1575 0.0910-0.0000 ( 1157 PWs) bands (ev): -12.4564 -12.4564 -12.1488 -12.1488 -0.7134 -0.7134 1.4658 1.4658 1.7529 1.7529 1.8379 1.8379 2.7562 2.7562 2.8032 2.8032 11.0352 11.0352 14.6510 14.6510 16.1502 16.1502 16.4676 16.4676 k = 0.1644 0.0949-0.0000 ( 1159 PWs) bands (ev): -12.4144 -12.4144 -12.1085 -12.1085 -0.6546 -0.6546 1.5164 1.5164 1.6148 1.6148 1.7038 1.7038 2.6962 2.6962 2.7447 2.7447 11.0995 11.0995 14.5840 14.5840 16.1198 16.1198 16.4546 16.4546 k = 0.1712 0.0989-0.0000 ( 1159 PWs) bands (ev): -12.3708 -12.3708 -12.0667 -12.0667 -0.5933 -0.5933 1.4740 1.4740 1.5655 1.5655 1.5707 1.5707 2.6356 2.6356 2.6854 2.6854 11.1656 11.1656 14.5125 14.5125 16.0894 16.0894 16.4416 16.4416 k = 0.1781 0.1028-0.0000 ( 1159 PWs) bands (ev): -12.3255 -12.3255 -12.0234 -12.0234 -0.5297 -0.5297 1.3312 1.3312 1.4280 1.4280 1.6236 1.6236 2.5745 2.5745 2.6256 2.6256 11.2335 11.2335 14.4363 14.4363 16.0590 16.0590 16.4288 16.4288 k = 0.1849 0.1068-0.0000 ( 1159 PWs) bands (ev): -12.2787 -12.2787 -11.9785 -11.9785 -0.4638 -0.4638 1.1863 1.1863 1.2871 1.2871 1.6799 1.6799 2.5130 2.5130 2.5653 2.5653 11.3030 11.3030 14.3552 14.3552 16.0285 16.0285 16.3434 16.3434 k = 0.1918 0.1107-0.0000 ( 1163 PWs) bands (ev): -12.2303 -12.2303 -11.9321 -11.9321 -0.3956 -0.3956 1.0395 1.0395 1.1442 1.1442 1.7380 1.7380 2.4513 2.4513 2.5047 2.5047 11.3742 11.3742 14.2694 14.2694 15.9980 15.9980 16.2057 16.2057 k = 0.1986 0.1147-0.0000 ( 1167 PWs) bands (ev): -12.1803 -12.1803 -11.8843 -11.8843 -0.3250 -0.3250 0.8911 0.8911 0.9997 0.9997 1.7978 1.7978 2.3895 2.3895 2.4440 2.4440 11.4470 11.4470 14.1787 14.1787 15.9676 15.9676 16.0651 16.0651 k = 0.2055 0.1186-0.0000 ( 1167 PWs) bands (ev): -12.1288 -12.1288 -11.8350 -11.8350 -0.2522 -0.2522 0.7414 0.7414 0.8538 0.8538 1.8594 1.8594 2.3277 2.3277 2.3833 2.3833 11.5213 11.5213 14.0832 14.0832 15.9219 15.9219 15.9373 15.9373 k = 0.2123 0.1226-0.0000 ( 1161 PWs) bands (ev): -12.0759 -12.0759 -11.7844 -11.7844 -0.1771 -0.1771 0.5906 0.5906 0.7068 0.7068 1.9226 1.9226 2.2660 2.2660 2.3226 2.3226 11.5971 11.5971 13.9830 13.9830 15.7764 15.7764 15.9071 15.9071 k = 0.2192 0.1265-0.0000 ( 1161 PWs) bands (ev): -12.0215 -12.0215 -11.7324 -11.7324 -0.0998 -0.0998 0.4388 0.4388 0.5588 0.5588 1.9875 1.9875 2.2046 2.2046 2.2622 2.2622 11.6743 11.6743 13.8780 13.8780 15.6288 15.6288 15.8771 15.8771 k = 0.2260 0.1305-0.0000 ( 1159 PWs) bands (ev): -11.9656 -11.9656 -11.6790 -11.6790 -0.0203 -0.0203 0.2863 0.2863 0.4100 0.4100 2.0538 2.0538 2.1435 2.1435 2.2022 2.2022 11.7529 11.7529 13.7685 13.7685 15.4792 15.4792 15.8473 15.8473 k = 0.2329 0.1345-0.0000 ( 1159 PWs) bands (ev): -11.9084 -11.9084 -11.6244 -11.6244 0.0613 0.0613 0.1332 0.1332 0.2606 0.2606 2.0827 2.0827 2.1214 2.1214 2.1429 2.1429 11.8327 11.8327 13.6544 13.6544 15.3280 15.3280 15.8177 15.8177 k = 0.2397 0.1384-0.0000 ( 1155 PWs) bands (ev): -11.8499 -11.8499 -11.5686 -11.5686 -0.0204 -0.0204 0.1107 0.1107 0.1453 0.1453 2.0227 2.0227 2.0830 2.0830 2.1912 2.1912 11.9138 11.9138 13.5360 13.5360 15.1754 15.1754 15.7884 15.7884 k = 0.2466 0.1424-0.0000 ( 1151 PWs) bands (ev): -11.7901 -11.7901 -11.5115 -11.5115 -0.1740 -0.1740 -0.0391 -0.0391 0.2311 0.2311 1.9633 1.9633 2.0245 2.0245 2.2618 2.2618 11.9961 11.9961 13.4135 13.4135 15.0217 15.0217 15.7594 15.7594 k = 0.2534 0.1463-0.0000 ( 1151 PWs) bands (ev): -11.7290 -11.7290 -11.4533 -11.4533 -0.3277 -0.3277 -0.1891 -0.1891 0.3190 0.3190 1.9046 1.9046 1.9666 1.9666 2.3336 2.3336 12.0794 12.0794 13.2869 13.2869 14.8670 14.8670 15.7306 15.7306 k = 0.2603 0.1503-0.0000 ( 1151 PWs) bands (ev): -11.6667 -11.6667 -11.3941 -11.3941 -0.4812 -0.4812 -0.3390 -0.3390 0.4089 0.4089 1.8467 1.8467 1.9094 1.9094 2.4067 2.4067 12.1637 12.1637 13.1566 13.1566 14.7116 14.7116 15.7023 15.7023 k = 0.2671 0.1542-0.0000 ( 1153 PWs) bands (ev): -11.6033 -11.6033 -11.3338 -11.3338 -0.6344 -0.6344 -0.4885 -0.4885 0.5008 0.5008 1.7897 1.7897 1.8532 1.8532 2.4807 2.4807 12.2488 12.2488 13.0229 13.0229 14.5558 14.5558 15.6742 15.6742 k = 0.2740 0.1582-0.0000 ( 1155 PWs) bands (ev): -11.5389 -11.5389 -11.2726 -11.2726 -0.7871 -0.7871 -0.6375 -0.6375 0.5946 0.5946 1.7336 1.7336 1.7978 1.7978 2.5558 2.5558 12.3347 12.3347 12.8859 12.8859 14.3998 14.3998 15.6466 15.6466 k = 0.2808 0.1621-0.0000 ( 1159 PWs) bands (ev): -11.4734 -11.4734 -11.2105 -11.2105 -0.9391 -0.9391 -0.7858 -0.7858 0.6902 0.6902 1.6786 1.6786 1.7434 1.7434 2.6317 2.6317 12.4213 12.4213 12.7461 12.7461 14.2437 14.2437 15.6194 15.6194 k = 0.2877 0.1661-0.0000 ( 1163 PWs) bands (ev): -11.4070 -11.4070 -11.1476 -11.1476 -1.0901 -1.0901 -0.9332 -0.9332 0.7876 0.7876 1.6247 1.6247 1.6901 1.6901 2.7083 2.7083 12.5083 12.5083 12.6036 12.6036 14.0878 14.0878 15.5926 15.5926 k = 0.2945 0.1700-0.0000 ( 1163 PWs) bands (ev): -11.3397 -11.3397 -11.0839 -11.0839 -1.2400 -1.2400 -1.0796 -1.0796 0.8868 0.8868 1.5719 1.5719 1.6380 1.6380 2.7855 2.7855 12.4589 12.4589 12.5958 12.5958 13.9323 13.9323 15.5662 15.5662 k = 0.3014 0.1740-0.0000 ( 1163 PWs) bands (ev): -11.2716 -11.2716 -11.0196 -11.0196 -1.3887 -1.3887 -1.2248 -1.2248 0.9877 0.9877 1.5204 1.5204 1.5871 1.5871 2.8630 2.8630 12.3124 12.3124 12.6834 12.6834 13.7775 13.7775 15.5404 15.5404 k = 0.3082 0.1780-0.0000 ( 1165 PWs) bands (ev): -11.2029 -11.2029 -10.9548 -10.9548 -1.5359 -1.5359 -1.3685 -1.3685 1.0901 1.0901 1.4702 1.4702 1.5374 1.5374 2.9409 2.9409 12.1643 12.1643 12.7710 12.7710 13.6234 13.6234 15.5150 15.5150 k = 0.3151 0.1819-0.0000 ( 1167 PWs) bands (ev): -11.1336 -11.1336 -10.8895 -10.8895 -1.6815 -1.6815 -1.5107 -1.5107 1.1940 1.1940 1.4213 1.4213 1.4890 1.4890 3.0188 3.0188 12.0151 12.0151 12.8585 12.8585 13.4703 13.4703 15.4901 15.4901 k = 0.3219 0.1859-0.0000 ( 1171 PWs) bands (ev): -11.0638 -11.0638 -10.8240 -10.8240 -1.8253 -1.8253 -1.6512 -1.6512 1.2993 1.2993 1.3739 1.3739 1.4420 1.4420 3.0966 3.0966 11.8652 11.8652 12.9455 12.9455 13.3183 13.3183 15.4657 15.4657 k = 0.3288 0.1898-0.0000 ( 1164 PWs) bands (ev): -10.9936 -10.9936 -10.7582 -10.7582 -1.9671 -1.9671 -1.7896 -1.7896 1.3277 1.3277 1.3961 1.3961 1.4066 1.4066 3.1741 3.1741 11.7151 11.7151 13.0320 13.0320 13.1678 13.1678 15.4419 15.4419 k = 0.3356 0.1938-0.0000 ( 1164 PWs) bands (ev): -10.9232 -10.9232 -10.6923 -10.6923 -2.1067 -2.1067 -1.9258 -1.9258 1.2832 1.2832 1.3523 1.3523 1.5141 1.5141 3.2509 3.2509 11.5651 11.5651 13.0187 13.0187 13.1176 13.1176 15.4186 15.4186 k = 0.3425 0.1977-0.0000 ( 1164 PWs) bands (ev): -10.8527 -10.8527 -10.6266 -10.6266 -2.2439 -2.2439 -2.0597 -2.0597 1.2402 1.2402 1.3097 1.3097 1.6231 1.6231 3.3269 3.3269 11.4157 11.4157 12.8715 12.8715 13.2021 13.2021 15.3958 15.3958 k = 0.3493 0.2017-0.0000 ( 1172 PWs) bands (ev): -10.7823 -10.7823 -10.5611 -10.5611 -2.3784 -2.3784 -2.1912 -2.1912 1.1986 1.1986 1.2686 1.2686 1.7331 1.7331 3.4016 3.4016 11.2672 11.2672 12.7263 12.7263 13.2853 13.2853 15.3736 15.3736 k = 0.3562 0.2056-0.0000 ( 1174 PWs) bands (ev): -10.7121 -10.7121 -10.4960 -10.4960 -2.5101 -2.5101 -2.3198 -2.3198 1.1587 1.1587 1.2292 1.2292 1.8439 1.8439 3.4750 3.4750 11.1203 11.1203 12.5833 12.5833 13.3668 13.3668 15.3520 15.3520 k = 0.3630 0.2096-0.0000 ( 1172 PWs) bands (ev): -10.6422 -10.6422 -10.4314 -10.4314 -2.6387 -2.6387 -2.4453 -2.4453 1.1205 1.1205 1.1913 1.1913 1.9556 1.9556 3.5466 3.5466 10.9755 10.9755 12.4428 12.4428 13.4463 13.4463 15.3310 15.3310 k = 0.3699 0.2135-0.0000 ( 1172 PWs) bands (ev): -10.5730 -10.5730 -10.3677 -10.3677 -2.7639 -2.7639 -2.5675 -2.5675 1.0839 1.0839 1.1551 1.1551 2.0676 2.0676 3.6160 3.6160 10.8332 10.8332 12.3051 12.3051 13.5237 13.5237 15.3106 15.3106 k = 0.3767 0.2175-0.0000 ( 1172 PWs) bands (ev): -10.5045 -10.5045 -10.3050 -10.3050 -2.8856 -2.8856 -2.6862 -2.6862 1.0491 1.0491 1.1206 1.1206 2.1800 2.1800 3.6829 3.6829 10.6938 10.6938 12.1703 12.1703 13.5985 13.5985 15.2909 15.2909 k = 0.3836 0.2214-0.0000 ( 1176 PWs) bands (ev): -10.4370 -10.4370 -10.2435 -10.2435 -3.0034 -3.0034 -2.8012 -2.8012 1.0159 1.0159 1.0877 1.0877 2.2926 2.2926 3.7468 3.7468 10.5580 10.5580 12.0390 12.0390 13.6706 13.6706 15.2717 15.2717 k = 0.3904 0.2254-0.0000 ( 1172 PWs) bands (ev): -10.3708 -10.3708 -10.1834 -10.1834 -3.1170 -3.1170 -2.9121 -2.9121 0.9846 0.9846 1.0567 1.0567 2.4050 2.4050 3.8072 3.8072 10.4263 10.4263 11.9113 11.9113 13.7396 13.7396 15.2533 15.2533 k = 0.3973 0.2294-0.0000 ( 1176 PWs) bands (ev): -10.3061 -10.3061 -10.1251 -10.1251 -3.2262 -3.2262 -3.0186 -3.0186 0.9550 0.9550 1.0274 1.0274 2.5171 2.5171 3.8637 3.8637 10.2991 10.2991 11.7876 11.7876 13.8053 13.8053 15.2355 15.2355 k = 0.4041 0.2333-0.0000 ( 1176 PWs) bands (ev): -10.2431 -10.2431 -10.0688 -10.0688 -3.3306 -3.3306 -3.1206 -3.1206 0.9273 0.9273 0.9998 0.9998 2.6287 2.6287 3.9157 3.9157 10.1772 10.1772 11.6683 11.6683 13.8675 13.8675 15.2185 15.2185 k = 0.4110 0.2373-0.0000 ( 1176 PWs) bands (ev): -10.1822 -10.1822 -10.0147 -10.0147 -3.4300 -3.4300 -3.2175 -3.2175 0.9013 0.9013 0.9741 0.9741 2.7394 2.7394 3.9627 3.9627 10.0609 10.0609 11.5540 11.5540 13.9259 13.9259 15.2023 15.2023 k = 0.4178 0.2412-0.0000 ( 1176 PWs) bands (ev): -10.1237 -10.1237 -9.9631 -9.9631 -3.5239 -3.5239 -3.3091 -3.3091 0.8772 0.8772 0.9502 0.9502 2.8488 2.8488 4.0043 4.0043 9.9510 9.9510 11.4449 11.4449 13.9805 13.9805 15.1868 15.1868 k = 0.4247 0.2452-0.0000 ( 1176 PWs) bands (ev): -10.0678 -10.0678 -9.9144 -9.9144 -3.6120 -3.6120 -3.3951 -3.3951 0.8550 0.8550 0.9281 0.9281 2.9567 2.9567 4.0397 4.0397 9.8479 9.8479 11.3415 11.3415 14.0310 14.0310 15.1721 15.1721 k = 0.4315 0.2491-0.0000 ( 1172 PWs) bands (ev): -10.0150 -10.0150 -9.8688 -9.8688 -3.6940 -3.6940 -3.4752 -3.4752 0.8346 0.8346 0.9080 0.9080 3.0627 3.0627 4.0686 4.0686 9.7521 9.7521 11.2445 11.2445 14.0774 14.0774 15.1584 15.1584 k = 0.4384 0.2531-0.0000 ( 1176 PWs) bands (ev): -9.9656 -9.9656 -9.8267 -9.8267 -3.7696 -3.7696 -3.5490 -3.5490 0.8161 0.8161 0.8896 0.8896 3.1663 3.1663 4.0904 4.0904 9.6641 9.6641 11.1543 11.1543 14.1195 14.1195 15.1456 15.1456 k = 0.4452 0.2570-0.0000 ( 1176 PWs) bands (ev): -9.9200 -9.9200 -9.7882 -9.7882 -3.8384 -3.8384 -3.6161 -3.6161 0.7995 0.7995 0.8732 0.8732 3.2671 3.2671 4.1046 4.1046 9.5844 9.5844 11.0715 11.0715 14.1573 14.1573 15.1338 15.1338 k = 0.4521 0.2610-0.0000 ( 1180 PWs) bands (ev): -9.8785 -9.8785 -9.7538 -9.7538 -3.9001 -3.9001 -3.6763 -3.6763 0.7849 0.7849 0.8587 0.8587 3.3646 3.3646 4.1109 4.1109 9.5132 9.5132 10.9966 10.9966 14.1909 14.1909 15.1231 15.1231 k = 0.4589 0.2649-0.0000 ( 1180 PWs) bands (ev): -9.8414 -9.8414 -9.7235 -9.7235 -3.9543 -3.9543 -3.7292 -3.7292 0.7722 0.7722 0.8461 0.8461 3.4583 3.4583 4.1091 4.1091 9.4511 9.4511 10.9303 10.9303 14.2200 14.2200 15.1137 15.1137 k = 0.4658 0.2689-0.0000 ( 1180 PWs) bands (ev): -9.8093 -9.8093 -9.6976 -9.6976 -4.0007 -4.0007 -3.7745 -3.7745 0.7614 0.7614 0.8354 0.8354 3.5475 3.5475 4.0989 4.0989 9.3982 9.3982 10.8731 10.8731 14.2447 14.2447 15.1054 15.1054 k = 0.4726 0.2729-0.0000 ( 1184 PWs) bands (ev): -9.7824 -9.7824 -9.6762 -9.6762 -4.0392 -4.0392 -3.8120 -3.8120 0.7526 0.7526 0.8266 0.8266 3.6316 3.6316 4.0803 4.0803 9.3547 9.3547 10.8254 10.8254 14.2649 14.2649 15.0985 15.0985 k = 0.4795 0.2768-0.0000 ( 1184 PWs) bands (ev): -9.7610 -9.7610 -9.6596 -9.6596 -4.0693 -4.0693 -3.8414 -3.8414 0.7458 0.7458 0.8199 0.8199 3.7100 3.7100 4.0537 4.0537 9.3208 9.3208 10.7878 10.7878 14.2807 14.2807 15.0931 15.0931 k = 0.4863 0.2808-0.0000 ( 1184 PWs) bands (ev): -9.7455 -9.7455 -9.6476 -9.6476 -4.0910 -4.0910 -3.8625 -3.8625 0.7408 0.7408 0.8150 0.8150 3.7811 3.7811 4.0198 4.0198 9.2965 9.2965 10.7606 10.7606 14.2920 14.2920 15.0891 15.0891 k = 0.4932 0.2847-0.0000 ( 1188 PWs) bands (ev): -9.7361 -9.7361 -9.6404 -9.6404 -4.1040 -4.1040 -3.8753 -3.8753 0.7379 0.7379 0.8121 0.8121 3.8419 3.8419 3.9813 3.9813 9.2819 9.2819 10.7442 10.7442 14.2988 14.2988 15.0867 15.0867 k = 0.5000 0.2887-0.0000 ( 1184 PWs) bands (ev): -9.7329 -9.7329 -9.6380 -9.6380 -4.1084 -4.1084 -3.8795 -3.8795 0.7369 0.7369 0.8112 0.8112 3.8742 3.8742 3.9566 3.9566 9.2770 9.2770 10.7387 10.7387 14.3011 14.3011 15.0859 15.0859 k = 0.5000 0.2887-0.0000 ( 1184 PWs) bands (ev): -9.7329 -9.7329 -9.6380 -9.6380 -4.1084 -4.1084 -3.8795 -3.8795 0.7369 0.7369 0.8112 0.8112 3.8742 3.8742 3.9566 3.9566 9.2770 9.2770 10.7387 10.7387 14.3011 14.3011 15.0859 15.0859 k = 0.4960 0.2955-0.0000 ( 1188 PWs) bands (ev): -9.7323 -9.7323 -9.6374 -9.6374 -4.1076 -4.1076 -3.8788 -3.8788 0.7331 0.7331 0.8075 0.8075 3.8750 3.8750 3.9576 3.9576 9.2767 9.2767 10.7392 10.7392 14.3059 14.3059 15.0913 15.0913 k = 0.4921 0.3024-0.0000 ( 1193 PWs) bands (ev): -9.7304 -9.7304 -9.6357 -9.6357 -4.1053 -4.1053 -3.8768 -3.8768 0.7214 0.7214 0.7964 0.7964 3.8776 3.8776 3.9606 3.9606 9.2756 9.2756 10.7409 10.7409 14.3206 14.3206 15.1073 15.1073 k = 0.4881 0.3093-0.0000 ( 1195 PWs) bands (ev): -9.7273 -9.7273 -9.6327 -9.6327 -4.1015 -4.1015 -3.8733 -3.8733 0.7022 0.7022 0.7782 0.7782 3.8819 3.8819 3.9656 3.9656 9.2739 9.2739 10.7435 10.7435 14.3450 14.3450 15.1339 15.1339 k = 0.4841 0.3162-0.0000 ( 1191 PWs) bands (ev): -9.7229 -9.7229 -9.6285 -9.6285 -4.0961 -4.0961 -3.8685 -3.8685 0.6755 0.6755 0.7528 0.7528 3.8880 3.8880 3.9727 3.9727 9.2716 9.2716 10.7473 10.7473 14.3788 14.3788 15.1711 15.1711 k = 0.4802 0.3230-0.0000 ( 1191 PWs) bands (ev): -9.7172 -9.7172 -9.6232 -9.6232 -4.0892 -4.0892 -3.8623 -3.8623 0.6414 0.6414 0.7205 0.7205 3.8957 3.8957 3.9817 3.9817 9.2684 9.2684 10.7521 10.7521 14.4219 14.4219 15.2185 15.2185 k = 0.4762 0.3299-0.0000 ( 1187 PWs) bands (ev): -9.7104 -9.7104 -9.6168 -9.6168 -4.0808 -4.0808 -3.8547 -3.8547 0.6002 0.6002 0.6815 0.6815 3.9052 3.9052 3.9926 3.9926 9.2645 9.2645 10.7578 10.7578 14.4739 14.4739 15.2759 15.2759 k = 0.4722 0.3368-0.0000 ( 1179 PWs) bands (ev): -9.7023 -9.7023 -9.6092 -9.6092 -4.0708 -4.0708 -3.8458 -3.8458 0.5522 0.5522 0.6360 0.6360 3.9163 3.9163 4.0057 4.0057 9.2599 9.2599 10.7646 10.7646 14.5345 14.5345 15.3431 15.3431 k = 0.4683 0.3437-0.0000 ( 1179 PWs) bands (ev): -9.6930 -9.6930 -9.6004 -9.6004 -4.0593 -4.0593 -3.8355 -3.8355 0.4975 0.4975 0.5841 0.5841 3.9291 3.9291 4.0205 4.0205 9.2543 9.2543 10.7722 10.7722 14.6032 14.6032 15.4197 15.4197 k = 0.4643 0.3505-0.0000 ( 1181 PWs) bands (ev): -9.6826 -9.6826 -9.5906 -9.5906 -4.0463 -4.0463 -3.8238 -3.8238 0.4364 0.4364 0.5262 0.5262 3.9435 3.9435 4.0372 4.0372 9.2479 9.2479 10.7807 10.7807 14.6795 14.6795 15.5053 15.5053 k = 0.4603 0.3574-0.0000 ( 1179 PWs) bands (ev): -9.6710 -9.6710 -9.5797 -9.5797 -4.0318 -4.0318 -3.8108 -3.8108 0.3695 0.3695 0.4627 0.4627 3.9595 3.9595 4.0558 4.0558 9.2404 9.2404 10.7901 10.7901 14.7628 14.7628 15.5996 15.5996 k = 0.4563 0.3643-0.0000 ( 1175 PWs) bands (ev): -9.6583 -9.6583 -9.5678 -9.5678 -4.0158 -4.0158 -3.7964 -3.7964 0.2970 0.2970 0.3939 0.3939 3.9771 3.9771 4.0763 4.0763 9.2319 9.2319 10.8002 10.8002 14.8527 14.8527 15.7020 15.7020 k = 0.4524 0.3712-0.0000 ( 1179 PWs) bands (ev): -9.6446 -9.6446 -9.5549 -9.5549 -3.9982 -3.9982 -3.7807 -3.7807 0.2193 0.2193 0.3201 0.3201 3.9962 3.9962 4.0985 4.0985 9.2224 9.2224 10.8110 10.8110 14.9482 14.9482 15.8120 15.8120 k = 0.4484 0.3780-0.0000 ( 1183 PWs) bands (ev): -9.6298 -9.6298 -9.5411 -9.5411 -3.9792 -3.9792 -3.7637 -3.7637 0.1367 0.1367 0.2416 0.2416 4.0169 4.0169 4.1224 4.1224 9.2116 9.2116 10.8224 10.8224 15.0489 15.0489 15.9292 15.9292 k = 0.4444 0.3849-0.0000 ( 1183 PWs) bands (ev): -9.6139 -9.6139 -9.5263 -9.5263 -3.9587 -3.9587 -3.7454 -3.7454 0.0498 0.0498 0.1589 0.1589 4.0390 4.0390 4.1480 4.1480 9.1996 9.1996 10.8343 10.8343 15.1538 15.1538 16.0529 16.0529 k = 0.4405 0.3918-0.0000 ( 1179 PWs) bands (ev): -9.5972 -9.5972 -9.5106 -9.5106 -3.9367 -3.9367 -3.7257 -3.7257 -0.0412 -0.0412 0.0724 0.0724 4.0625 4.0625 4.1753 4.1753 9.1862 9.1862 10.8466 10.8466 15.2624 15.2624 16.1827 16.1827 k = 0.4365 0.3986-0.0000 ( 1179 PWs) bands (ev): -9.5795 -9.5795 -9.4942 -9.4942 -3.9132 -3.9132 -3.7048 -3.7048 -0.1357 -0.1357 -0.0175 -0.0175 4.0874 4.0874 4.2040 4.2040 9.1715 9.1715 10.8594 10.8594 15.3736 15.3736 16.3178 16.3178 k = 0.4325 0.4055-0.0000 ( 1183 PWs) bands (ev): -9.5610 -9.5610 -9.4770 -9.4770 -3.8882 -3.8882 -3.6827 -3.6827 -0.2335 -0.2335 -0.1105 -0.1105 4.1136 4.1136 4.2342 4.2342 9.1552 9.1552 10.8723 10.8723 15.4867 15.4867 16.4577 16.4577 k = 0.4286 0.4124-0.0000 ( 1185 PWs) bands (ev): -9.5416 -9.5416 -9.4591 -9.4591 -3.8618 -3.8618 -3.6593 -3.6593 -0.3340 -0.3340 -0.2062 -0.2062 4.1410 4.1410 4.2658 4.2658 9.1375 9.1375 10.8854 10.8854 15.6008 15.6008 16.6015 16.6015 k = 0.4246 0.4193-0.0000 ( 1187 PWs) bands (ev): -9.5216 -9.5216 -9.4405 -9.4405 -3.8339 -3.8339 -3.6346 -3.6346 -0.4369 -0.4369 -0.3042 -0.3042 4.1696 4.1696 4.2988 4.2988 9.1181 9.1181 10.8985 10.8985 15.7151 15.7151 16.7487 16.7487 k = 0.4206 0.4261-0.0000 ( 1187 PWs) bands (ev): -9.5008 -9.5008 -9.4214 -9.4214 -3.8046 -3.8046 -3.6088 -3.6088 -0.5418 -0.5418 -0.4039 -0.4039 4.1994 4.1994 4.3329 4.3329 9.0971 9.0971 10.9115 10.9115 15.8287 15.8287 16.8985 16.8985 k = 0.4167 0.4330-0.0000 ( 1195 PWs) bands (ev): -9.4795 -9.4795 -9.4019 -9.4019 -3.7739 -3.7739 -3.5818 -3.5818 -0.6484 -0.6484 -0.5053 -0.5053 4.2301 4.2301 4.3680 4.3680 9.0744 9.0744 10.9243 10.9243 15.9407 15.9407 17.0500 17.0500 k = 0.4127 0.4399-0.0000 ( 1187 PWs) bands (ev): -9.4577 -9.4577 -9.3819 -9.3819 -3.7418 -3.7418 -3.5537 -3.5537 -0.7559 -0.7559 -0.6075 -0.6075 4.2619 4.2619 4.4041 4.4041 9.0501 9.0501 10.9368 10.9368 16.0505 16.0505 17.2025 17.2025 k = 0.4087 0.4468-0.0000 ( 1191 PWs) bands (ev): -9.4354 -9.4354 -9.3617 -9.3617 -3.7084 -3.7084 -3.5246 -3.5246 -0.8644 -0.8644 -0.7105 -0.7105 4.2944 4.2944 4.4408 4.4408 9.0240 9.0240 10.9488 10.9488 16.1573 16.1573 17.3552 17.3552 k = 0.4048 0.4536-0.0000 ( 1191 PWs) bands (ev): -9.4129 -9.4129 -9.3413 -9.3413 -3.6736 -3.6736 -3.4944 -3.4944 -0.9732 -0.9732 -0.8137 -0.8137 4.3277 4.3277 4.4782 4.4782 8.9963 8.9963 10.9603 10.9603 16.2604 16.2604 17.5072 17.5072 k = 0.4008 0.4605-0.0000 ( 1187 PWs) bands (ev): -9.3901 -9.3901 -9.3207 -9.3207 -3.6375 -3.6375 -3.4633 -3.4633 -1.0820 -1.0820 -0.9167 -0.9167 4.3617 4.3617 4.5160 4.5160 8.9670 8.9670 10.9710 10.9710 16.3594 16.3594 17.6579 17.6579 k = 0.3968 0.4674-0.0000 ( 1189 PWs) bands (ev): -9.3671 -9.3671 -9.3003 -9.3003 -3.6001 -3.6001 -3.4314 -3.4314 -1.1905 -1.1905 -1.0193 -1.0193 4.3962 4.3962 4.5540 4.5540 8.9362 8.9362 10.9810 10.9810 16.4537 16.4537 17.8063 17.8063 k = 0.3929 0.4743-0.0000 ( 1189 PWs) bands (ev): -9.3442 -9.3442 -9.2799 -9.2799 -3.5616 -3.5616 -3.3987 -3.3987 -1.2982 -1.2982 -1.1208 -1.1208 4.4310 4.4310 4.5918 4.5918 8.9040 8.9040 10.9901 10.9901 16.5431 16.5431 17.9517 17.9517 k = 0.3889 0.4811-0.0000 ( 1189 PWs) bands (ev): -9.3214 -9.3214 -9.2599 -9.2599 -3.5219 -3.5219 -3.3653 -3.3653 -1.4047 -1.4047 -1.2207 -1.2207 4.4661 4.4661 4.6293 4.6293 8.8706 8.8706 10.9981 10.9981 16.6274 16.6274 18.0936 18.0936 k = 0.3849 0.4880-0.0000 ( 1193 PWs) bands (ev): -9.2988 -9.2988 -9.2403 -9.2403 -3.4811 -3.4811 -3.3315 -3.3315 -1.5096 -1.5096 -1.3189 -1.3189 4.5013 4.5013 4.6661 4.6661 8.8362 8.8362 11.0051 11.0051 16.7064 16.7064 18.1783 18.1783 k = 0.3810 0.4949-0.0000 ( 1197 PWs) bands (ev): -9.2766 -9.2766 -9.2212 -9.2212 -3.4395 -3.4395 -3.2975 -3.2975 -1.6126 -1.6126 -1.4145 -1.4145 4.5364 4.5364 4.7019 4.7019 8.8011 8.8011 11.0110 11.0110 16.7801 16.7801 18.1137 18.1137 k = 0.3770 0.5017-0.0000 ( 1197 PWs) bands (ev): -9.2550 -9.2550 -9.2029 -9.2029 -3.3970 -3.3970 -3.2633 -3.2633 -1.7129 -1.7129 -1.5072 -1.5072 4.5714 4.5714 4.7363 4.7363 8.7657 8.7657 11.0158 11.0158 16.8485 16.8485 18.0542 18.0542 k = 0.3730 0.5086-0.0000 ( 1195 PWs) bands (ev): -9.2340 -9.2340 -9.1855 -9.1855 -3.3539 -3.3539 -3.2294 -3.2294 -1.8104 -1.8104 -1.5963 -1.5963 4.6060 4.6060 4.7690 4.7690 8.7303 8.7303 11.0194 11.0194 16.9117 16.9117 18.0002 18.0002 k = 0.3690 0.5155-0.0000 ( 1195 PWs) bands (ev): -9.2139 -9.2139 -9.1691 -9.1691 -3.3104 -3.3104 -3.1960 -3.1960 -1.9042 -1.9042 -1.6811 -1.6811 4.6400 4.6400 4.7994 4.7994 8.6953 8.6953 11.0219 11.0219 16.9695 16.9695 17.9522 17.9522 k = 0.3651 0.5224-0.0000 ( 1195 PWs) bands (ev): -9.1948 -9.1948 -9.1540 -9.1540 -3.2669 -3.2669 -3.1638 -3.1638 -1.9937 -1.9937 -1.7610 -1.7610 4.6733 4.6733 4.8271 4.8271 8.6614 8.6614 11.0233 11.0233 17.0220 17.0220 17.9103 17.9103 k = 0.3611 0.5292-0.0000 ( 1191 PWs) bands (ev): -9.1769 -9.1769 -9.1403 -9.1403 -3.2238 -3.2238 -3.1331 -3.1331 -2.0783 -2.0783 -1.8349 -1.8349 4.7055 4.7055 4.8515 4.8515 8.6290 8.6290 11.0237 11.0237 17.0692 17.0692 17.8750 17.8750 k = 0.3571 0.5361-0.0000 ( 1195 PWs) bands (ev): -9.1604 -9.1604 -9.1282 -9.1282 -3.1818 -3.1818 -3.1046 -3.1046 -2.1570 -2.1570 -1.9021 -1.9021 4.7366 4.7366 4.8721 4.8721 8.5987 8.5987 11.0233 11.0233 17.1111 17.1111 17.8465 17.8465 k = 0.3532 0.5430-0.0000 ( 1195 PWs) bands (ev): -9.1454 -9.1454 -9.1179 -9.1179 -3.1416 -3.1416 -3.0792 -3.0792 -2.2285 -2.2285 -1.9614 -1.9614 4.7662 4.7662 4.8884 4.8884 8.5713 8.5713 11.0223 11.0223 17.1473 17.1473 17.8250 17.8250 k = 0.3492 0.5499-0.0000 ( 1195 PWs) bands (ev): -9.1321 -9.1321 -9.1096 -9.1096 -3.1047 -3.1047 -3.0576 -3.0576 -2.2914 -2.2914 -2.0116 -2.0116 4.7942 4.7942 4.8997 4.8997 8.5474 8.5474 11.0208 11.0208 17.1779 17.1779 17.8107 17.8107 k = 0.3452 0.5567-0.0000 ( 1195 PWs) bands (ev): -9.1208 -9.1208 -9.1036 -9.1036 -3.0725 -3.0725 -3.0406 -3.0406 -2.3438 -2.3438 -2.0518 -2.0518 4.8203 4.8203 4.9055 4.9055 8.5277 8.5277 11.0190 11.0190 17.2025 17.2025 17.8037 17.8037 k = 0.3413 0.5636-0.0000 ( 1197 PWs) bands (ev): -9.1117 -9.1117 -9.0999 -9.0999 -3.0472 -3.0472 -3.0289 -3.0289 -2.3834 -2.3834 -2.0810 -2.0810 4.8442 4.8442 4.9051 4.9051 8.5128 8.5128 11.0174 11.0174 17.2206 17.2206 17.8042 17.8042 k = 0.3373 0.5705-0.0000 ( 1197 PWs) bands (ev): -9.1048 -9.1048 -9.0987 -9.0987 -3.0308 -3.0308 -3.0224 -3.0224 -2.4081 -2.4081 -2.0985 -2.0985 4.8657 4.8657 4.8983 4.8983 8.5035 8.5035 11.0162 11.0162 17.2319 17.2319 17.8121 17.8121 k = 0.3333 0.5774-0.0000 ( 1197 PWs) bands (ev): -9.1007 -9.1007 -9.1001 -9.1001 -3.0255 -3.0255 -3.0203 -3.0203 -2.4164 -2.4164 -2.1043 -2.1043 4.8845 4.8845 4.8845 4.8845 8.5003 8.5003 11.0157 11.0157 17.2358 17.2358 17.8276 17.8276 k = 0.3333 0.5774-0.0000 ( 1197 PWs) bands (ev): -9.1007 -9.1007 -9.1001 -9.1001 -3.0255 -3.0255 -3.0203 -3.0203 -2.4164 -2.4164 -2.1043 -2.1043 4.8845 4.8845 4.8845 4.8845 8.5003 8.5003 11.0157 11.0157 17.2358 17.2358 17.8276 17.8276 k = 0.3294 0.5705-0.0000 ( 1197 PWs) bands (ev): -9.1050 -9.1050 -9.0987 -9.0987 -3.0290 -3.0290 -3.0235 -3.0235 -2.4084 -2.4084 -2.0987 -2.0987 4.8634 4.8634 4.9004 4.9004 8.5037 8.5037 11.0163 11.0163 17.2317 17.2317 17.8117 17.8117 k = 0.3254 0.5636-0.0000 ( 1197 PWs) bands (ev): -9.1126 -9.1126 -9.0998 -9.0998 -3.0378 -3.0378 -3.0329 -3.0329 -2.3859 -2.3859 -2.0828 -2.0828 4.8347 4.8347 4.9131 4.9131 8.5141 8.5141 11.0184 11.0184 17.2189 17.2189 17.8024 17.8024 k = 0.3214 0.5567-0.0000 ( 1197 PWs) bands (ev): -9.1235 -9.1235 -9.1039 -9.1039 -3.0511 -3.0511 -3.0448 -3.0448 -2.3513 -2.3513 -2.0576 -2.0576 4.7984 4.7984 4.9225 4.9225 8.5317 8.5317 11.0224 11.0224 17.1969 17.1969 17.7993 17.7993 k = 0.3175 0.5499-0.0000 ( 1197 PWs) bands (ev): -9.1377 -9.1377 -9.1111 -9.1111 -3.0673 -3.0673 -3.0567 -3.0567 -2.3073 -2.3073 -2.0245 -2.0245 4.7545 4.7545 4.9282 4.9282 8.5568 8.5568 11.0287 11.0287 17.1650 17.1650 17.8022 17.8022 k = 0.3135 0.5430-0.0000 ( 1193 PWs) bands (ev): -9.1553 -9.1553 -9.1215 -9.1215 -3.0836 -3.0836 -3.0677 -3.0677 -2.2561 -2.2561 -1.9844 -1.9844 4.7031 4.7031 4.9302 4.9302 8.5895 8.5895 11.0377 11.0377 17.1228 17.1228 17.8109 17.8109 k = 0.3095 0.5361-0.0000 ( 1193 PWs) bands (ev): -9.1764 -9.1764 -9.1353 -9.1353 -3.0981 -3.0981 -3.0771 -3.0771 -2.1994 -2.1994 -1.9387 -1.9387 4.6444 4.6444 4.9281 4.9281 8.6296 8.6296 11.0498 11.0498 17.0700 17.0700 17.8249 17.8249 k = 0.3056 0.5292-0.0000 ( 1193 PWs) bands (ev): -9.2011 -9.2011 -9.1525 -9.1525 -3.1093 -3.1093 -3.0838 -3.0838 -2.1381 -2.1381 -1.8881 -1.8881 4.5787 4.5787 4.9218 4.9218 8.6770 8.6770 11.0653 11.0653 17.0066 17.0066 17.8441 17.8441 k = 0.3016 0.5224-0.0000 ( 1195 PWs) bands (ev): -9.2294 -9.2294 -9.1731 -9.1731 -3.1164 -3.1164 -3.0872 -3.0872 -2.0733 -2.0733 -1.8333 -1.8333 4.5064 4.5064 4.9112 4.9112 8.7316 8.7316 11.0846 11.0846 16.9329 16.9329 17.8682 17.8682 k = 0.2976 0.5155-0.0000 ( 1195 PWs) bands (ev): -9.2612 -9.2612 -9.1971 -9.1971 -3.1188 -3.1188 -3.0866 -3.0866 -2.0054 -2.0054 -1.7748 -1.7748 4.4280 4.4280 4.8962 4.8962 8.7929 8.7929 11.1080 11.1080 16.8493 16.8493 17.8968 17.8968 k = 0.2937 0.5086-0.0000 ( 1195 PWs) bands (ev): -9.2965 -9.2965 -9.2246 -9.2246 -3.1161 -3.1161 -3.0815 -3.0815 -1.9349 -1.9349 -1.7132 -1.7132 4.3439 4.3439 4.8767 4.8767 8.8608 8.8608 11.1357 11.1357 16.7566 16.7566 17.9297 17.9297 k = 0.2897 0.5017-0.0000 ( 1195 PWs) bands (ev): -9.3353 -9.3353 -9.2555 -9.2555 -3.1081 -3.1081 -3.0717 -3.0717 -1.8622 -1.8622 -1.6488 -1.6488 4.2546 4.2546 4.8527 4.8527 8.9348 8.9348 11.1680 11.1680 16.6557 16.6557 17.9665 17.9665 k = 0.2857 0.4949-0.0000 ( 1187 PWs) bands (ev): -9.3774 -9.3774 -9.2898 -9.2898 -3.0944 -3.0944 -3.0568 -3.0568 -1.7875 -1.7875 -1.5819 -1.5819 4.1606 4.1606 4.8244 4.8244 9.0147 9.0147 11.2051 11.2051 16.5476 16.5476 18.0070 18.0070 k = 0.2817 0.4880-0.0000 ( 1191 PWs) bands (ev): -9.4228 -9.4228 -9.3273 -9.3273 -3.0752 -3.0752 -3.0367 -3.0367 -1.7108 -1.7108 -1.5127 -1.5127 4.0624 4.0624 4.7914 4.7914 9.1000 9.1000 11.2471 11.2471 16.4330 16.4330 18.0508 18.0508 k = 0.2778 0.4811-0.0000 ( 1191 PWs) bands (ev): -9.4713 -9.4713 -9.3680 -9.3680 -3.0504 -3.0504 -3.0114 -3.0114 -1.6325 -1.6325 -1.4414 -1.4414 3.9605 3.9605 4.7542 4.7542 9.1904 9.1904 11.2941 11.2941 16.3130 16.3130 18.0976 18.0976 k = 0.2738 0.4743-0.0000 ( 1191 PWs) bands (ev): -9.5227 -9.5227 -9.4118 -9.4118 -3.0200 -3.0200 -2.9808 -2.9808 -1.5525 -1.5525 -1.3682 -1.3682 3.8553 3.8553 4.7128 4.7128 9.2856 9.2856 11.3462 11.3462 16.1887 16.1887 18.1473 18.1473 k = 0.2698 0.4674-0.0000 ( 1195 PWs) bands (ev): -9.5770 -9.5770 -9.4584 -9.4584 -2.9842 -2.9842 -2.9449 -2.9449 -1.4711 -1.4711 -1.2932 -1.2932 3.7473 3.7473 4.6671 4.6671 9.3852 9.3852 11.4034 11.4034 16.0606 16.0606 18.1993 18.1993 k = 0.2659 0.4605-0.0000 ( 1195 PWs) bands (ev): -9.6338 -9.6338 -9.5078 -9.5078 -2.9429 -2.9429 -2.9038 -2.9038 -1.3883 -1.3883 -1.2165 -1.2165 3.6367 3.6367 4.6176 4.6176 9.4889 9.4889 11.4657 11.4657 15.9297 15.9297 18.2536 18.2536 k = 0.2619 0.4536-0.0000 ( 1195 PWs) bands (ev): -9.6931 -9.6931 -9.5597 -9.5597 -2.8964 -2.8964 -2.8575 -2.8575 -1.3041 -1.3041 -1.1383 -1.1383 3.5242 3.5242 4.5643 4.5643 9.5965 9.5965 11.5330 11.5330 15.7965 15.7965 18.3097 18.3097 k = 0.2579 0.4468-0.0000 ( 1195 PWs) bands (ev): -9.7547 -9.7547 -9.6140 -9.6140 -2.8447 -2.8447 -2.8062 -2.8062 -1.2186 -1.2186 -1.0586 -1.0586 3.4098 3.4098 4.5075 4.5075 9.7076 9.7076 11.6053 11.6053 15.6616 15.6616 18.3674 18.3674 k = 0.2540 0.4399-0.0000 ( 1195 PWs) bands (ev): -9.8183 -9.8183 -9.6705 -9.6705 -2.7881 -2.7881 -2.7500 -2.7500 -1.1320 -1.1320 -0.9776 -0.9776 3.2941 3.2941 4.4474 4.4474 9.8219 9.8219 11.6825 11.6825 15.5256 15.5256 18.4264 18.4264 k = 0.2500 0.4330-0.0000 ( 1191 PWs) bands (ev): -9.8837 -9.8837 -9.7291 -9.7291 -2.7267 -2.7267 -2.6890 -2.6890 -1.0440 -1.0440 -0.8952 -0.8952 3.1772 3.1772 4.3841 4.3841 9.9393 9.9393 11.7645 11.7645 15.3888 15.3888 18.4863 18.4863 k = 0.2460 0.4261-0.0000 ( 1187 PWs) bands (ev): -9.9508 -9.9508 -9.7895 -9.7895 -2.6606 -2.6606 -2.6233 -2.6233 -0.9551 -0.9551 -0.8115 -0.8115 3.0595 3.0595 4.3180 4.3180 10.0595 10.0595 11.8511 11.8511 15.2517 15.2517 18.5468 18.5468 k = 0.2421 0.4193-0.0000 ( 1183 PWs) bands (ev): -10.0194 -10.0194 -9.8515 -9.8515 -2.5902 -2.5902 -2.5532 -2.5532 -0.8651 -0.8651 -0.7267 -0.7267 2.9412 2.9412 4.2493 4.2493 10.1822 10.1822 11.9421 11.9421 15.1145 15.1145 18.5210 18.5210 k = 0.2381 0.4124-0.0000 ( 1179 PWs) bands (ev): -10.0892 -10.0892 -9.9150 -9.9150 -2.5154 -2.5154 -2.4788 -2.4788 -0.7742 -0.7742 -0.6407 -0.6407 2.8226 2.8226 4.1782 4.1782 10.3073 10.3073 12.0375 12.0375 14.9776 14.9776 18.4800 18.4800 k = 0.2341 0.4055-0.0000 ( 1179 PWs) bands (ev): -10.1601 -10.1601 -9.9798 -9.9798 -2.4366 -2.4366 -2.4003 -2.4003 -0.6823 -0.6823 -0.5537 -0.5537 2.7038 2.7038 4.1049 4.1049 10.4344 10.4344 12.1370 12.1370 14.8411 14.8411 18.4362 18.4362 k = 0.2302 0.3986-0.0000 ( 1179 PWs) bands (ev): -10.2320 -10.2320 -10.0456 -10.0456 -2.3539 -2.3539 -2.3178 -2.3178 -0.5895 -0.5895 -0.4658 -0.4658 2.5850 2.5850 4.0297 4.0297 10.5635 10.5635 12.2404 12.2404 14.7052 14.7052 18.3895 18.3895 k = 0.2262 0.3918-0.0000 ( 1179 PWs) bands (ev): -10.3046 -10.3046 -10.1125 -10.1125 -2.2674 -2.2674 -2.2316 -2.2316 -0.4960 -0.4960 -0.3769 -0.3769 2.4665 2.4665 3.9529 3.9529 10.6942 10.6942 12.3476 12.3476 14.5703 14.5703 18.3401 18.3401 k = 0.2222 0.3849-0.0000 ( 1179 PWs) bands (ev): -10.3778 -10.3778 -10.1800 -10.1800 -2.1774 -2.1774 -2.1417 -2.1417 -0.4016 -0.4016 -0.2871 -0.2871 2.3484 2.3484 3.8746 3.8746 10.8265 10.8265 12.4584 12.4584 14.4364 14.4364 18.2881 18.2881 k = 0.2183 0.3780-0.0000 ( 1179 PWs) bands (ev): -10.4514 -10.4514 -10.2482 -10.2482 -2.0840 -2.0840 -2.0483 -2.0483 -0.3066 -0.3066 -0.1966 -0.1966 2.2309 2.2309 3.7951 3.7951 10.9600 10.9600 12.5726 12.5726 14.3037 14.3037 18.2336 18.2336 k = 0.2143 0.3712-0.0000 ( 1181 PWs) bands (ev): -10.5254 -10.5254 -10.3169 -10.3169 -1.9874 -1.9874 -1.9517 -1.9517 -0.2108 -0.2108 -0.1053 -0.1053 2.1140 2.1140 3.7145 3.7145 11.0947 11.0947 12.6899 12.6899 14.1723 14.1723 18.1769 18.1769 k = 0.2103 0.3643-0.0000 ( 1179 PWs) bands (ev): -10.5994 -10.5994 -10.3859 -10.3859 -1.8876 -1.8876 -1.8518 -1.8518 -0.1145 -0.1145 -0.0132 -0.0132 1.9980 1.9980 3.6330 3.6330 11.2302 11.2302 12.8103 12.8103 14.0423 14.0423 18.1183 18.1183 k = 0.2063 0.3574-0.0000 ( 1177 PWs) bands (ev): -10.6735 -10.6735 -10.4551 -10.4551 -1.7848 -1.7848 -1.7490 -1.7490 -0.0176 -0.0176 0.0794 0.0794 1.8829 1.8829 3.5511 3.5511 11.3666 11.3666 12.9335 12.9335 13.9138 13.9138 18.0580 18.0580 k = 0.2024 0.3505-0.0000 ( 1179 PWs) bands (ev): -10.7475 -10.7475 -10.5243 -10.5243 -1.6794 -1.6794 -1.6434 -1.6434 0.0797 0.0797 0.1726 0.1726 1.7689 1.7689 3.4686 3.4686 11.5033 11.5033 13.0593 13.0593 13.7870 13.7870 17.9963 17.9963 k = 0.1984 0.3437-0.0000 ( 1179 PWs) bands (ev): -10.8213 -10.8213 -10.5935 -10.5935 -1.5713 -1.5713 -1.5351 -1.5351 0.1775 0.1775 0.2663 0.2663 1.6560 1.6560 3.3858 3.3858 11.6403 11.6403 13.1875 13.1875 13.6618 13.6618 17.9337 17.9337 k = 0.1944 0.3368-0.0000 ( 1187 PWs) bands (ev): -10.8947 -10.8947 -10.6625 -10.6625 -1.4607 -1.4607 -1.4243 -1.4243 0.2755 0.2755 0.3604 0.3604 1.5444 1.5444 3.3029 3.3029 11.7774 11.7774 13.3180 13.3180 13.5384 13.5384 17.8702 17.8702 k = 0.1905 0.3299-0.0000 ( 1181 PWs) bands (ev): -10.9678 -10.9678 -10.7312 -10.7312 -1.3476 -1.3476 -1.3110 -1.3110 0.3739 0.3739 0.4548 0.4548 1.4342 1.4342 3.2201 3.2201 11.9144 11.9144 13.4168 13.4168 13.4506 13.4506 17.8065 17.8065 k = 0.1865 0.3230-0.0000 ( 1177 PWs) bands (ev): -11.0402 -11.0402 -10.7995 -10.7995 -1.2324 -1.2324 -1.1955 -1.1955 0.4724 0.4724 0.5496 0.5496 1.3255 1.3255 3.1375 3.1375 12.0511 12.0511 13.2971 13.2971 13.5851 13.5851 17.7400 17.7400 k = 0.1825 0.3162-0.0000 ( 1177 PWs) bands (ev): -11.1121 -11.1121 -10.8673 -10.8673 -1.1151 -1.1151 -1.0778 -1.0778 0.5711 0.5711 0.6446 0.6446 1.2182 1.2182 3.0552 3.0552 12.1872 12.1872 13.1792 13.1792 13.7212 13.7212 17.6608 17.6609 k = 0.1786 0.3093-0.0000 ( 1185 PWs) bands (ev): -11.1833 -11.1833 -10.9346 -10.9346 -0.9959 -0.9959 -0.9583 -0.9583 0.6698 0.6698 0.7397 0.7397 1.1126 1.1126 2.9733 2.9733 12.3225 12.3225 13.0634 13.0634 13.8588 13.8588 17.5837 17.5837 k = 0.1746 0.3024-0.0000 ( 1185 PWs) bands (ev): -11.2537 -11.2537 -11.0012 -11.0012 -0.8748 -0.8748 -0.8368 -0.8368 0.7685 0.7685 0.8348 0.8348 1.0086 1.0086 2.8920 2.8920 12.4567 12.4567 12.9495 12.9495 13.9977 13.9977 17.5086 17.5086 k = 0.1706 0.2955-0.0000 ( 1185 PWs) bands (ev): -11.3232 -11.3232 -11.0671 -11.0671 -0.7520 -0.7520 -0.7136 -0.7136 0.8669 0.8669 0.9066 0.9066 0.9300 0.9300 2.8114 2.8114 12.5897 12.5897 12.8376 12.8376 14.1377 14.1377 17.4358 17.4358 k = 0.1667 0.2887-0.0000 ( 1181 PWs) bands (ev): -11.3918 -11.3918 -11.1322 -11.1322 -0.6276 -0.6276 -0.5888 -0.5888 0.8058 0.8058 0.9657 0.9657 1.0250 1.0250 2.7316 2.7316 12.7212 12.7212 12.7279 12.7279 14.2787 14.2787 17.3653 17.3653 k = 0.1627 0.2818-0.0000 ( 1181 PWs) bands (ev): -11.4594 -11.4594 -11.1964 -11.1964 -0.5018 -0.5018 -0.4626 -0.4626 0.7072 0.7072 1.0638 1.0638 1.1199 1.1199 2.6527 2.6527 12.6201 12.6201 12.8511 12.8511 14.4204 14.4204 17.2972 17.2972 k = 0.1587 0.2749-0.0000 ( 1179 PWs) bands (ev): -11.5260 -11.5260 -11.2596 -11.2596 -0.3746 -0.3746 -0.3350 -0.3350 0.6104 0.6104 1.1616 1.1616 1.2144 1.2144 2.5747 2.5747 12.5146 12.5146 12.9789 12.9789 14.5627 14.5627 17.2315 17.2315 k = 0.1548 0.2681-0.0000 ( 1175 PWs) bands (ev): -11.5915 -11.5915 -11.3219 -11.3219 -0.2463 -0.2463 -0.2064 -0.2064 0.5156 0.5156 1.2590 1.2590 1.3087 1.3087 2.4979 2.4979 12.4111 12.4111 13.1046 13.1046 14.7054 14.7054 17.1684 17.1684 k = 0.1508 0.2612-0.0000 ( 1167 PWs) bands (ev): -11.6557 -11.6557 -11.3831 -11.3831 -0.1169 -0.1169 -0.0766 -0.0766 0.4228 0.4228 1.3558 1.3558 1.4025 1.4025 2.4223 2.4223 12.3098 12.3098 13.2278 13.2278 14.8483 14.8483 17.1079 17.1079 k = 0.1468 0.2543-0.0000 ( 1167 PWs) bands (ev): -11.7188 -11.7188 -11.4432 -11.4432 0.0134 0.0134 0.0539 0.0539 0.3320 0.3320 1.4519 1.4519 1.4957 1.4957 2.3478 2.3478 12.2107 12.2107 13.3483 13.3483 14.9911 14.9911 17.0501 17.0501 k = 0.1429 0.2474-0.0000 ( 1167 PWs) bands (ev): -11.7806 -11.7806 -11.5022 -11.5022 0.1444 0.1444 0.1851 0.1851 0.2434 0.2434 1.5473 1.5473 1.5882 1.5882 2.2747 2.2747 12.1137 12.1137 13.4659 13.4659 15.1337 15.1337 16.9950 16.9950 k = 0.1389 0.2406-0.0000 ( 1167 PWs) bands (ev): -11.8412 -11.8412 -11.5599 -11.5599 0.1565 0.1565 0.2762 0.2762 0.3173 0.3173 1.6419 1.6419 1.6800 1.6800 2.2029 2.2029 12.0189 12.0189 13.5803 13.5803 15.2758 15.2758 16.9427 16.9427 k = 0.1349 0.2337-0.0000 ( 1171 PWs) bands (ev): -11.9003 -11.9003 -11.6164 -11.6164 0.0720 0.0720 0.4082 0.4082 0.4495 0.4495 1.7355 1.7355 1.7708 1.7708 2.1327 2.1327 11.9263 11.9263 13.6914 13.6914 15.4173 15.4173 16.8931 16.8932 k = 0.1310 0.2268-0.0000 ( 1167 PWs) bands (ev): -11.9581 -11.9581 -11.6716 -11.6716 -0.0103 -0.0103 0.5407 0.5407 0.5821 0.5821 1.8281 1.8281 1.8607 1.8607 2.0639 2.0639 11.8359 11.8359 13.7990 13.7990 15.5580 15.5580 16.8465 16.8465 k = 0.1270 0.2199-0.0000 ( 1167 PWs) bands (ev): -12.0145 -12.0145 -11.7255 -11.7255 -0.0905 -0.0905 0.6733 0.6733 0.7148 0.7148 1.9194 1.9194 1.9493 1.9493 1.9969 1.9969 11.7477 11.7477 13.9029 13.9029 15.6976 15.6976 16.8028 16.8028 k = 0.1230 0.2131-0.0000 ( 1167 PWs) bands (ev): -12.0694 -12.0694 -11.7780 -11.7780 -0.1684 -0.1684 0.8060 0.8060 0.8474 0.8474 1.9309 1.9309 2.0095 2.0095 2.0375 2.0375 11.6618 11.6618 14.0028 14.0028 15.8360 15.8360 16.7619 16.7619 k = 0.1190 0.2062-0.0000 ( 1167 PWs) bands (ev): -12.1228 -12.1228 -11.8291 -11.8291 -0.2440 -0.2440 0.9384 0.9384 0.9797 0.9797 1.8670 1.8670 2.0983 2.0983 2.1238 2.1238 11.5781 11.5781 14.0988 14.0988 15.9729 15.9729 16.7241 16.7241 k = 0.1151 0.1993-0.0000 ( 1167 PWs) bands (ev): -12.1748 -12.1748 -11.8788 -11.8788 -0.3174 -0.3174 1.0705 1.0705 1.1117 1.1117 1.8048 1.8048 2.1855 2.1855 2.2087 2.2087 11.4966 11.4966 14.1906 14.1906 16.1081 16.1081 16.6891 16.6891 k = 0.1111 0.1925-0.0000 ( 1167 PWs) bands (ev): -12.2251 -12.2251 -11.9271 -11.9271 -0.3885 -0.3885 1.2021 1.2021 1.2430 1.2430 1.7444 1.7444 2.2711 2.2711 2.2922 2.2922 11.4173 11.4173 14.2782 14.2782 16.2414 16.2414 16.6572 16.6572 k = 0.1071 0.1856-0.0000 ( 1163 PWs) bands (ev): -12.2739 -12.2739 -11.9738 -11.9738 -0.4573 -0.4573 1.3330 1.3330 1.3735 1.3735 1.6858 1.6858 2.3550 2.3550 2.3741 2.3741 11.3403 11.3403 14.3616 14.3616 16.3727 16.3727 16.6282 16.6282 k = 0.1032 0.1787-0.0000 ( 1165 PWs) bands (ev): -12.3211 -12.3211 -12.0191 -12.0191 -0.5237 -0.5237 1.4629 1.4629 1.5029 1.5029 1.6291 1.6291 2.4371 2.4371 2.4542 2.4542 11.2656 11.2656 14.4405 14.4405 16.5015 16.5015 16.6022 16.6022 k = 0.0992 0.1718-0.0000 ( 1165 PWs) bands (ev): -12.3667 -12.3667 -12.0628 -12.0628 -0.5878 -0.5878 1.5733 1.5733 1.5925 1.5925 1.6310 1.6310 2.5172 2.5172 2.5324 2.5324 11.1931 11.1931 14.5151 14.5151 16.5791 16.5791 16.6279 16.6279 k = 0.0952 0.1650-0.0000 ( 1165 PWs) bands (ev): -12.4107 -12.4107 -12.1049 -12.1049 -0.6494 -0.6494 1.5210 1.5210 1.7192 1.7192 1.7577 1.7577 2.5953 2.5953 2.6087 2.6087 11.1229 11.1229 14.5854 14.5854 16.5590 16.5590 16.6867 16.6867 k = 0.0913 0.1581-0.0000 ( 1169 PWs) bands (ev): -12.4530 -12.4530 -12.1455 -12.1455 -0.7087 -0.7087 1.4700 1.4700 1.8449 1.8449 1.8826 1.8826 2.6711 2.6711 2.6828 2.6828 11.0549 11.0549 14.6513 14.6513 16.5418 16.5418 16.6682 16.6682 k = 0.0873 0.1512-0.0000 ( 1165 PWs) bands (ev): -12.4936 -12.4936 -12.1845 -12.1845 -0.7656 -0.7656 1.4209 1.4209 1.9688 1.9688 2.0055 2.0055 2.7447 2.7447 2.7548 2.7548 10.9893 10.9893 14.7131 14.7131 16.5276 16.5276 16.6521 16.6521 k = 0.0833 0.1443-0.0000 ( 1165 PWs) bands (ev): -12.5325 -12.5325 -12.2219 -12.2219 -0.8200 -0.8200 1.3739 1.3739 2.0906 2.0906 2.1262 2.1262 2.8160 2.8160 2.8246 2.8246 10.9260 10.9260 14.7706 14.7706 16.5161 16.5161 16.6382 16.6382 k = 0.0794 0.1375-0.0000 ( 1165 PWs) bands (ev): -12.5697 -12.5697 -12.2576 -12.2576 -0.8720 -0.8720 1.3288 1.3288 2.2099 2.2099 2.2443 2.2443 2.8848 2.8848 2.8919 2.8919 10.8650 10.8650 14.8241 14.8241 16.5075 16.5075 16.6266 16.6266 k = 0.0754 0.1306-0.0000 ( 1173 PWs) bands (ev): -12.6052 -12.6052 -12.2917 -12.2917 -0.9216 -0.9216 1.2858 1.2858 2.3265 2.3265 2.3594 2.3594 2.9508 2.9508 2.9567 2.9567 10.8063 10.8063 14.8737 14.8737 16.5016 16.5016 16.6172 16.6172 k = 0.0714 0.1237-0.0000 ( 1169 PWs) bands (ev): -12.6390 -12.6390 -12.3241 -12.3241 -0.9686 -0.9686 1.2449 1.2449 2.4401 2.4401 2.4716 2.4716 3.0143 3.0143 3.0190 3.0190 10.7501 10.7501 14.9195 14.9195 16.4983 16.4983 16.6097 16.6097 k = 0.0675 0.1168-0.0000 ( 1169 PWs) bands (ev): -12.6710 -12.6710 -12.3548 -12.3548 -1.0132 -1.0132 1.2061 1.2061 2.5504 2.5504 2.5803 2.5803 3.0749 3.0749 3.0784 3.0784 10.6963 10.6963 14.9617 14.9617 16.4977 16.4977 16.6042 16.6042 k = 0.0635 0.1100-0.0000 ( 1169 PWs) bands (ev): -12.7012 -12.7012 -12.3838 -12.3838 -1.0552 -1.0552 1.1695 1.1695 2.6571 2.6571 2.6853 2.6853 3.1326 3.1326 3.1351 3.1351 10.6450 10.6450 15.0004 15.0004 16.4995 16.4995 16.6005 16.6005 k = 0.0595 0.1031-0.0000 ( 1169 PWs) bands (ev): -12.7296 -12.7296 -12.4112 -12.4112 -1.0948 -1.0948 1.1349 1.1349 2.7598 2.7598 2.7862 2.7862 3.1873 3.1873 3.1888 3.1888 10.5962 10.5962 15.0358 15.0358 16.5036 16.5036 16.5983 16.5983 k = 0.0556 0.0962-0.0000 ( 1165 PWs) bands (ev): -12.7563 -12.7563 -12.4368 -12.4368 -1.1319 -1.1319 1.1026 1.1026 2.8581 2.8581 2.8827 2.8827 3.2389 3.2389 3.2397 3.2397 10.5500 10.5500 15.0680 15.0680 16.5100 16.5100 16.5977 16.5977 k = 0.0516 0.0894-0.0000 ( 1163 PWs) bands (ev): -12.7811 -12.7811 -12.4607 -12.4607 -1.1664 -1.1664 1.0724 1.0724 2.9518 2.9518 2.9745 2.9745 3.2871 3.2871 3.2876 3.2876 10.5064 10.5064 15.0972 15.0972 16.5184 16.5184 16.5983 16.5983 k = 0.0476 0.0825-0.0000 ( 1155 PWs) bands (ev): -12.8042 -12.8042 -12.4828 -12.4828 -1.1984 -1.1984 1.0443 1.0443 3.0406 3.0406 3.0614 3.0614 3.3317 3.3317 3.3328 3.3328 10.4656 10.4656 15.1235 15.1235 16.5287 16.5287 16.6000 16.6000 k = 0.0437 0.0756-0.0000 ( 1155 PWs) bands (ev): -12.8254 -12.8254 -12.5032 -12.5032 -1.2279 -1.2279 1.0185 1.0185 3.1239 3.1239 3.1427 3.1427 3.3729 3.3729 3.3746 3.3746 10.4275 10.4275 15.1471 15.1471 16.5407 16.5407 16.6026 16.6026 k = 0.0397 0.0687-0.0000 ( 1151 PWs) bands (ev): -12.8448 -12.8448 -12.5219 -12.5219 -1.2548 -1.2548 0.9950 0.9950 3.2014 3.2014 3.2183 3.2183 3.4108 3.4108 3.4131 3.4131 10.3924 10.3924 15.1682 15.1682 16.5540 16.5540 16.6059 16.6059 k = 0.0357 0.0619-0.0000 ( 1151 PWs) bands (ev): -12.8624 -12.8624 -12.5388 -12.5388 -1.2792 -1.2792 0.9736 0.9736 3.2728 3.2728 3.2877 3.2877 3.4453 3.4453 3.4481 3.4481 10.3602 10.3602 15.1868 15.1868 16.5684 16.5684 16.6097 16.6097 k = 0.0317 0.0550-0.0000 ( 1153 PWs) bands (ev): -12.8781 -12.8781 -12.5540 -12.5540 -1.3010 -1.3010 0.9544 0.9544 3.3377 3.3377 3.3509 3.3509 3.4763 3.4763 3.4797 3.4797 10.3311 10.3311 15.2031 15.2031 16.5836 16.5836 16.6138 16.6138 k = 0.0278 0.0481-0.0000 ( 1147 PWs) bands (ev): -12.8920 -12.8920 -12.5673 -12.5673 -1.3203 -1.3203 0.9374 0.9374 3.3960 3.3960 3.4074 3.4074 3.5039 3.5039 3.5077 3.5077 10.3051 10.3051 15.2172 15.2172 16.5991 16.5991 16.6181 16.6181 k = 0.0238 0.0412-0.0000 ( 1151 PWs) bands (ev): -12.9041 -12.9041 -12.5789 -12.5789 -1.3370 -1.3370 0.9227 0.9227 3.4470 3.4470 3.4568 3.4568 3.5280 3.5280 3.5321 3.5321 10.2824 10.2824 15.2292 15.2292 16.6145 16.6145 16.6222 16.6222 k = 0.0198 0.0344-0.0000 ( 1147 PWs) bands (ev): -12.9143 -12.9143 -12.5888 -12.5888 -1.3512 -1.3512 0.9103 0.9103 3.4906 3.4906 3.4990 3.4990 3.5485 3.5485 3.5529 3.5529 10.2630 10.2630 15.2392 15.2392 16.6259 16.6259 16.6291 16.6291 k = 0.0159 0.0275-0.0000 ( 1147 PWs) bands (ev): -12.9226 -12.9226 -12.5968 -12.5968 -1.3627 -1.3627 0.9001 0.9001 3.5264 3.5264 3.5336 3.5336 3.5656 3.5656 3.5702 3.5702 10.2470 10.2470 15.2473 15.2473 16.6293 16.6293 16.6424 16.6424 k = 0.0119 0.0206-0.0000 ( 1147 PWs) bands (ev): -12.9291 -12.9291 -12.6031 -12.6031 -1.3717 -1.3717 0.8922 0.8922 3.5541 3.5541 3.5602 3.5602 3.5793 3.5793 3.5841 3.5841 10.2345 10.2345 15.2536 15.2536 16.6319 16.6319 16.6535 16.6535 k = 0.0079 0.0137-0.0000 ( 1147 PWs) bands (ev): -12.9338 -12.9338 -12.6075 -12.6075 -1.3782 -1.3782 0.8865 0.8865 3.5732 3.5732 3.5786 3.5786 3.5899 3.5899 3.5949 3.5949 10.2255 10.2255 15.2580 15.2580 16.6337 16.6337 16.6528 16.6528 k = 0.0040 0.0069-0.0000 ( 1143 PWs) bands (ev): -12.9366 -12.9366 -12.6102 -12.6102 -1.3820 -1.3820 0.8831 0.8831 3.5837 3.5837 3.5889 3.5889 3.5973 3.5973 3.6024 3.6024 10.2201 10.2201 15.2606 15.2606 16.6341 16.6341 16.6418 16.6418 k = 0.0000 0.0000 0.0000 ( 1143 PWs) bands (ev): -12.9375 -12.9375 -12.6111 -12.6111 -1.3833 -1.3833 0.8820 0.8820 3.5869 3.5869 3.5921 3.5921 3.6000 3.6000 3.6052 3.6052 10.2183 10.2183 15.2615 15.2615 16.6329 16.6329 16.6392 16.6392 k = 0.0000 0.0000 0.0000 ( 1143 PWs) bands (ev): -12.9375 -12.9375 -12.6111 -12.6111 -1.3833 -1.3833 0.8820 0.8820 3.5869 3.5869 3.5921 3.5921 3.6000 3.6000 3.6052 3.6052 10.2183 10.2183 15.2615 15.2615 16.6329 16.6329 16.6392 16.6392 k = 0.0000 0.0000 0.0077 ( 1143 PWs) bands (ev): -12.9372 -12.9372 -12.6114 -12.6114 -1.3815 -1.3815 0.8791 0.8791 3.5869 3.5869 3.5921 3.5921 3.6000 3.6000 3.6052 3.6052 10.2232 10.2232 15.2554 15.2554 16.6330 16.6330 16.6392 16.6392 k = 0.0000 0.0000 0.0153 ( 1143 PWs) bands (ev): -12.9363 -12.9363 -12.6125 -12.6125 -1.3761 -1.3761 0.8703 0.8703 3.5869 3.5869 3.5920 3.5920 3.6000 3.6000 3.6051 3.6051 10.2382 10.2382 15.2372 15.2372 16.6331 16.6331 16.6393 16.6393 k = 0.0000 0.0000 0.0230 ( 1154 PWs) bands (ev): -12.9348 -12.9348 -12.6142 -12.6142 -1.3670 -1.3670 0.8555 0.8555 3.5868 3.5868 3.5920 3.5920 3.5999 3.5999 3.6051 3.6051 10.2629 10.2629 15.2071 15.2071 16.6331 16.6331 16.6393 16.6393 k = 0.0000 0.0000 0.0306 ( 1154 PWs) bands (ev): -12.9327 -12.9327 -12.6166 -12.6166 -1.3544 -1.3544 0.8353 0.8353 3.5868 3.5868 3.5919 3.5919 3.5999 3.5999 3.6050 3.6050 10.2974 10.2974 15.1655 15.1655 16.6333 16.6333 16.6395 16.6395 k = 0.0000 0.0000 0.0383 ( 1154 PWs) bands (ev): -12.9301 -12.9301 -12.6197 -12.6197 -1.3382 -1.3382 0.8095 0.8095 3.5869 3.5869 3.5919 3.5919 3.6000 3.6000 3.6050 3.6050 10.3414 10.3414 15.1129 15.1129 16.6336 16.6336 16.6398 16.6398 k = 0.0000 0.0000 0.0459 ( 1154 PWs) bands (ev): -12.9268 -12.9268 -12.6234 -12.6234 -1.3185 -1.3185 0.7786 0.7786 3.5870 3.5870 3.5918 3.5918 3.6000 3.6000 3.6049 3.6049 10.3947 10.3947 15.0498 15.0498 16.6339 16.6339 16.6401 16.6401 k = 0.0000 0.0000 0.0536 ( 1154 PWs) bands (ev): -12.9230 -12.9230 -12.6277 -12.6277 -1.2953 -1.2953 0.7426 0.7426 3.5870 3.5870 3.5918 3.5918 3.6001 3.6001 3.6049 3.6049 10.4570 10.4570 14.9768 14.9768 16.6342 16.6342 16.6405 16.6405 k = 0.0000 0.0000 0.0612 ( 1154 PWs) bands (ev): -12.9186 -12.9186 -12.6327 -12.6327 -1.2687 -1.2687 0.7019 0.7019 3.5871 3.5871 3.5917 3.5917 3.6002 3.6002 3.6048 3.6048 10.5279 10.5279 14.8945 14.8945 16.6347 16.6347 16.6409 16.6409 k = 0.0000 0.0000 0.0689 ( 1154 PWs) bands (ev): -12.9137 -12.9137 -12.6382 -12.6382 -1.2387 -1.2387 0.6568 0.6568 3.5872 3.5872 3.5916 3.5916 3.6003 3.6003 3.6047 3.6047 10.6071 10.6071 14.8037 14.8037 16.6351 16.6351 16.6414 16.6414 k = 0.0000 0.0000 0.0765 ( 1148 PWs) bands (ev): -12.9083 -12.9083 -12.6443 -12.6443 -1.2055 -1.2055 0.6075 0.6075 3.5874 3.5874 3.5916 3.5916 3.6004 3.6004 3.6047 3.6047 10.6942 10.6942 14.7048 14.7048 16.6356 16.6356 16.6419 16.6419 k = 0.0000 0.0000 0.0842 ( 1148 PWs) bands (ev): -12.9023 -12.9023 -12.6510 -12.6510 -1.1690 -1.1690 0.5546 0.5546 3.5875 3.5875 3.5915 3.5915 3.6005 3.6005 3.6046 3.6046 10.7888 10.7888 14.5986 14.5986 16.6362 16.6362 16.6424 16.6424 k = 0.0000 0.0000 0.0918 ( 1148 PWs) bands (ev): -12.8959 -12.8959 -12.6581 -12.6581 -1.1294 -1.1294 0.4983 0.4983 3.5876 3.5876 3.5913 3.5913 3.6006 3.6006 3.6044 3.6044 10.8905 10.8905 14.4855 14.4855 16.6368 16.6368 16.6431 16.6431 k = 0.0000 0.0000 0.0995 ( 1148 PWs) bands (ev): -12.8890 -12.8890 -12.6657 -12.6657 -1.0867 -1.0867 0.4390 0.4390 3.5877 3.5877 3.5912 3.5912 3.6008 3.6008 3.6043 3.6043 10.9988 10.9988 14.3662 14.3662 16.6375 16.6375 16.6437 16.6437 k = 0.0000 0.0000 0.1071 ( 1148 PWs) bands (ev): -12.8817 -12.8817 -12.6738 -12.6738 -1.0411 -1.0411 0.3770 0.3770 3.5878 3.5878 3.5911 3.5911 3.6009 3.6009 3.6042 3.6042 11.1133 11.1133 14.2413 14.2413 16.6382 16.6382 16.6445 16.6445 k = 0.0000 0.0000 0.1148 ( 1148 PWs) bands (ev): -12.8739 -12.8739 -12.6822 -12.6822 -0.9927 -0.9927 0.3127 0.3127 3.5879 3.5879 3.5910 3.5910 3.6010 3.6010 3.6041 3.6041 11.2335 11.2335 14.1113 14.1113 16.6390 16.6390 16.6452 16.6452 k = 0.0000 0.0000 0.1224 ( 1142 PWs) bands (ev): -12.8657 -12.8657 -12.6911 -12.6911 -0.9415 -0.9415 0.2464 0.2464 3.5881 3.5881 3.5909 3.5909 3.6012 3.6012 3.6040 3.6040 11.3590 11.3590 13.9768 13.9768 16.6398 16.6398 16.6460 16.6460 k = 0.0000 0.0000 0.1301 ( 1142 PWs) bands (ev): -12.8572 -12.8572 -12.7002 -12.7002 -0.8878 -0.8878 0.1785 0.1785 3.5882 3.5882 3.5908 3.5908 3.6013 3.6013 3.6039 3.6039 11.4892 11.4892 13.8382 13.8382 16.6407 16.6407 16.6469 16.6469 k = 0.0000 0.0000 0.1377 ( 1142 PWs) bands (ev): -12.8484 -12.8484 -12.7096 -12.7096 -0.8316 -0.8316 0.1094 0.1094 3.5884 3.5884 3.5906 3.5906 3.6015 3.6015 3.6037 3.6037 11.6238 11.6238 13.6961 13.6961 16.6416 16.6416 16.6478 16.6478 k = 0.0000 0.0000 0.1454 ( 1142 PWs) bands (ev): -12.8392 -12.8392 -12.7193 -12.7193 -0.7732 -0.7732 0.0394 0.0394 3.5885 3.5885 3.5905 3.5905 3.6016 3.6016 3.6036 3.6036 11.7622 11.7622 13.5511 13.5511 16.6425 16.6425 16.6487 16.6487 k = 0.0000 0.0000 0.1531 ( 1136 PWs) bands (ev): -12.8298 -12.8298 -12.7291 -12.7291 -0.7125 -0.7125 -0.0312 -0.0312 3.5887 3.5887 3.5904 3.5904 3.6018 3.6018 3.6035 3.6035 11.9040 11.9040 13.4037 13.4037 16.6435 16.6435 16.6497 16.6497 k = 0.0000 0.0000 0.1607 ( 1136 PWs) bands (ev): -12.8202 -12.8202 -12.7392 -12.7392 -0.6500 -0.6500 -0.1022 -0.1022 3.5889 3.5889 3.5902 3.5902 3.6020 3.6020 3.6033 3.6033 12.0487 12.0487 13.2543 13.2543 16.6444 16.6444 16.6506 16.6507 k = 0.0000 0.0000 0.1684 ( 1142 PWs) bands (ev): -12.8104 -12.8104 -12.7493 -12.7493 -0.5857 -0.5857 -0.1732 -0.1732 3.5890 3.5890 3.5900 3.5900 3.6021 3.6021 3.6031 3.6031 12.1958 12.1958 13.1033 13.1033 16.6455 16.6455 16.6517 16.6519 k = 0.0000 0.0000 0.1760 ( 1142 PWs) bands (ev): -12.8004 -12.8004 -12.7595 -12.7595 -0.5197 -0.5197 -0.2440 -0.2440 3.5892 3.5892 3.5899 3.5899 3.6023 3.6023 3.6030 3.6030 12.3450 12.3450 12.9515 12.9515 16.6465 16.6465 16.6508 16.6508 k = 0.0000 0.0000 0.1837 ( 1142 PWs) bands (ev): -12.7902 -12.7902 -12.7698 -12.7698 -0.4524 -0.4524 -0.3143 -0.3143 3.5894 3.5894 3.5897 3.5897 3.6024 3.6024 3.6028 3.6028 12.4956 12.4956 12.7993 12.7993 16.6476 16.6476 16.6497 16.6497 k = 0.0000 0.0000 0.1913 ( 1142 PWs) bands (ev): -12.7800 -12.7800 -12.7800 -12.7800 -0.3838 -0.3838 -0.3838 -0.3838 3.5895 3.5895 3.5895 3.5895 3.6026 3.6026 3.6026 3.6026 12.6472 12.6472 12.6472 12.6472 16.6486 16.6486 16.6486 16.6486 k = 0.0000 0.0000 0.1913 ( 1142 PWs) bands (ev): -12.7800 -12.7800 -12.7800 -12.7800 -0.3838 -0.3838 -0.3838 -0.3838 3.5895 3.5895 3.5895 3.5895 3.6026 3.6026 3.6026 3.6026 12.6472 12.6472 12.6472 12.6472 16.6486 16.6486 16.6486 16.6486 k = 0.0068 0.0040 0.1913 ( 1142 PWs) bands (ev): -12.7791 -12.7791 -12.7791 -12.7791 -0.3826 -0.3826 -0.3826 -0.3826 3.5865 3.5865 3.5865 3.5865 3.5998 3.5998 3.5998 3.5998 12.6484 12.6484 12.6484 12.6484 16.6494 16.6494 16.6494 16.6494 k = 0.0137 0.0079 0.1913 ( 1142 PWs) bands (ev): -12.7764 -12.7764 -12.7764 -12.7764 -0.3790 -0.3790 -0.3790 -0.3790 3.5767 3.5767 3.5767 3.5767 3.5922 3.5922 3.5922 3.5922 12.6521 12.6521 12.6521 12.6521 16.6479 16.6479 16.6479 16.6479 k = 0.0205 0.0119 0.1913 ( 1142 PWs) bands (ev): -12.7719 -12.7719 -12.7719 -12.7719 -0.3729 -0.3729 -0.3729 -0.3729 3.5585 3.5585 3.5585 3.5585 3.5814 3.5814 3.5814 3.5814 12.6582 12.6582 12.6582 12.6582 16.6440 16.6440 16.6440 16.6440 k = 0.0274 0.0158 0.1913 ( 1142 PWs) bands (ev): -12.7655 -12.7655 -12.7655 -12.7655 -0.3645 -0.3645 -0.3645 -0.3645 3.5318 3.5318 3.5318 3.5318 3.5676 3.5676 3.5676 3.5676 12.6667 12.6667 12.6667 12.6667 16.6382 16.6382 16.6382 16.6382 k = 0.0342 0.0198 0.1913 ( 1142 PWs) bands (ev): -12.7574 -12.7574 -12.7574 -12.7574 -0.3536 -0.3536 -0.3536 -0.3536 3.4970 3.4970 3.4970 3.4970 3.5507 3.5507 3.5507 3.5507 12.6775 12.6775 12.6775 12.6775 16.6309 16.6309 16.6309 16.6309 k = 0.0411 0.0237 0.1913 ( 1142 PWs) bands (ev): -12.7474 -12.7474 -12.7474 -12.7474 -0.3403 -0.3403 -0.3403 -0.3403 3.4546 3.4546 3.4546 3.4546 3.5304 3.5304 3.5304 3.5304 12.6906 12.6906 12.6906 12.6906 16.6220 16.6220 16.6220 16.6220 k = 0.0479 0.0277 0.1913 ( 1146 PWs) bands (ev): -12.7356 -12.7356 -12.7356 -12.7356 -0.3247 -0.3247 -0.3247 -0.3247 3.4046 3.4046 3.4046 3.4046 3.5068 3.5068 3.5068 3.5068 12.7057 12.7057 12.7057 12.7057 16.6116 16.6116 16.6116 16.6116 k = 0.0548 0.0316 0.1913 ( 1150 PWs) bands (ev): -12.7221 -12.7221 -12.7221 -12.7221 -0.3066 -0.3066 -0.3066 -0.3066 3.3475 3.3475 3.3475 3.3475 3.4800 3.4800 3.4800 3.4800 12.7228 12.7228 12.7228 12.7228 16.5997 16.5997 16.5997 16.5997 k = 0.0616 0.0356 0.1913 ( 1148 PWs) bands (ev): -12.7067 -12.7067 -12.7067 -12.7067 -0.2862 -0.2862 -0.2862 -0.2862 3.2835 3.2835 3.2835 3.2835 3.4499 3.4499 3.4499 3.4499 12.7418 12.7418 12.7418 12.7418 16.5866 16.5866 16.5866 16.5866 k = 0.0685 0.0395 0.1913 ( 1148 PWs) bands (ev): -12.6896 -12.6896 -12.6896 -12.6896 -0.2633 -0.2633 -0.2633 -0.2633 3.2128 3.2128 3.2128 3.2128 3.4169 3.4169 3.4169 3.4169 12.7624 12.7624 12.7624 12.7624 16.5721 16.5721 16.5721 16.5721 k = 0.0753 0.0435 0.1913 ( 1156 PWs) bands (ev): -12.6706 -12.6706 -12.6706 -12.6706 -0.2381 -0.2381 -0.2381 -0.2381 3.1355 3.1355 3.1355 3.1355 3.3809 3.3809 3.3809 3.3809 12.7846 12.7846 12.7846 12.7846 16.5563 16.5563 16.5563 16.5563 k = 0.0822 0.0475 0.1913 ( 1162 PWs) bands (ev): -12.6499 -12.6499 -12.6499 -12.6499 -0.2106 -0.2106 -0.2106 -0.2106 3.0520 3.0520 3.0520 3.0520 3.3421 3.3421 3.3421 3.3421 12.8082 12.8082 12.8082 12.8082 16.5393 16.5393 16.5393 16.5393 k = 0.0890 0.0514 0.1913 ( 1162 PWs) bands (ev): -12.6274 -12.6274 -12.6274 -12.6274 -0.1807 -0.1807 -0.1807 -0.1807 2.9628 2.9628 2.9628 2.9628 3.3008 3.3008 3.3008 3.3008 12.8329 12.8329 12.8329 12.8329 16.5210 16.5210 16.5210 16.5210 k = 0.0959 0.0554 0.1913 ( 1162 PWs) bands (ev): -12.6032 -12.6032 -12.6032 -12.6032 -0.1485 -0.1485 -0.1485 -0.1485 2.8680 2.8680 2.8680 2.8680 3.2570 3.2570 3.2570 3.2570 12.8585 12.8585 12.8585 12.8585 16.5016 16.5016 16.5016 16.5016 k = 0.1027 0.0593 0.1913 ( 1166 PWs) bands (ev): -12.5772 -12.5772 -12.5772 -12.5772 -0.1140 -0.1140 -0.1140 -0.1140 2.7679 2.7679 2.7679 2.7679 3.2109 3.2109 3.2109 3.2109 12.8850 12.8850 12.8850 12.8850 16.4808 16.4808 16.4808 16.4808 k = 0.1096 0.0633 0.1913 ( 1170 PWs) bands (ev): -12.5495 -12.5495 -12.5495 -12.5495 -0.0773 -0.0773 -0.0773 -0.0773 2.6628 2.6628 2.6628 2.6628 3.1627 3.1627 3.1627 3.1627 12.9119 12.9119 12.9119 12.9119 16.4587 16.4587 16.4587 16.4587 k = 0.1164 0.0672 0.1913 ( 1166 PWs) bands (ev): -12.5200 -12.5200 -12.5200 -12.5200 -0.0383 -0.0383 -0.0383 -0.0383 2.5531 2.5531 2.5531 2.5531 3.1126 3.1126 3.1126 3.1126 12.9392 12.9392 12.9392 12.9392 16.4353 16.4353 16.4353 16.4353 k = 0.1233 0.0712 0.1913 ( 1166 PWs) bands (ev): -12.4888 -12.4888 -12.4888 -12.4888 0.0030 0.0030 0.0030 0.0030 2.4391 2.4391 2.4391 2.4391 3.0606 3.0606 3.0606 3.0606 12.9666 12.9666 12.9666 12.9666 16.4104 16.4104 16.4104 16.4104 k = 0.1301 0.0751 0.1913 ( 1170 PWs) bands (ev): -12.4559 -12.4559 -12.4559 -12.4559 0.0464 0.0464 0.0464 0.0464 2.3209 2.3209 2.3209 2.3209 3.0070 3.0070 3.0070 3.0070 12.9937 12.9937 12.9937 12.9937 16.3838 16.3838 16.3838 16.3838 k = 0.1370 0.0791 0.1913 ( 1170 PWs) bands (ev): -12.4214 -12.4214 -12.4214 -12.4214 0.0919 0.0919 0.0919 0.0919 2.1991 2.1991 2.1991 2.1991 2.9520 2.9520 2.9520 2.9520 13.0204 13.0204 13.0204 13.0204 16.3553 16.3553 16.3553 16.3553 k = 0.1438 0.0830 0.1913 ( 1170 PWs) bands (ev): -12.3851 -12.3851 -12.3851 -12.3851 0.1394 0.1394 0.1394 0.1394 2.0739 2.0739 2.0739 2.0739 2.8956 2.8956 2.8956 2.8956 13.0464 13.0464 13.0464 13.0464 16.3249 16.3249 16.3249 16.3249 k = 0.1507 0.0870 0.1913 ( 1170 PWs) bands (ev): -12.3472 -12.3472 -12.3472 -12.3472 0.1888 0.1888 0.1888 0.1888 1.9457 1.9457 1.9457 1.9457 2.8381 2.8381 2.8381 2.8381 13.0712 13.0712 13.0712 13.0712 16.2922 16.2922 16.2922 16.2922 k = 0.1575 0.0910 0.1913 ( 1170 PWs) bands (ev): -12.3076 -12.3076 -12.3076 -12.3076 0.2400 0.2400 0.2400 0.2400 1.8149 1.8149 1.8149 1.8149 2.7797 2.7797 2.7797 2.7797 13.0946 13.0946 13.0946 13.0946 16.2570 16.2570 16.2570 16.2570 k = 0.1644 0.0949 0.1913 ( 1168 PWs) bands (ev): -12.2664 -12.2664 -12.2664 -12.2664 0.2928 0.2928 0.2928 0.2928 1.6820 1.6820 1.6820 1.6820 2.7204 2.7204 2.7204 2.7204 13.1162 13.1162 13.1162 13.1162 16.2190 16.2190 16.2190 16.2190 k = 0.1712 0.0989 0.1913 ( 1172 PWs) bands (ev): -12.2237 -12.2237 -12.2237 -12.2237 0.3467 0.3467 0.3467 0.3467 1.5476 1.5476 1.5476 1.5476 2.6604 2.6604 2.6604 2.6604 13.1356 13.1356 13.1356 13.1356 16.1780 16.1780 16.1780 16.1780 k = 0.1781 0.1028 0.1913 ( 1172 PWs) bands (ev): -12.1793 -12.1793 -12.1793 -12.1793 0.4011 0.4011 0.4011 0.4011 1.4125 1.4125 1.4125 1.4125 2.5999 2.5999 2.5999 2.5999 13.1523 13.1523 13.1523 13.1523 16.1339 16.1339 16.1339 16.1339 k = 0.1849 0.1068 0.1913 ( 1172 PWs) bands (ev): -12.1334 -12.1334 -12.1334 -12.1334 0.4548 0.4548 0.4548 0.4548 1.2783 1.2783 1.2783 1.2783 2.5390 2.5390 2.5390 2.5390 13.1658 13.1658 13.1658 13.1658 16.0866 16.0866 16.0866 16.0866 k = 0.1918 0.1107 0.1913 ( 1172 PWs) bands (ev): -12.0859 -12.0859 -12.0859 -12.0859 0.5050 0.5050 0.5050 0.5050 1.1478 1.1478 1.1478 1.1478 2.4779 2.4779 2.4779 2.4779 13.1757 13.1757 13.1757 13.1757 16.0361 16.0361 16.0361 16.0361 k = 0.1986 0.1147 0.1913 ( 1172 PWs) bands (ev): -12.0369 -12.0369 -12.0369 -12.0369 0.5450 0.5450 0.5450 0.5450 1.0280 1.0280 1.0280 1.0280 2.4166 2.4166 2.4166 2.4166 13.1814 13.1814 13.1814 13.1814 15.9828 15.9828 15.9828 15.9828 k = 0.2055 0.1186 0.1913 ( 1168 PWs) bands (ev): -11.9865 -11.9865 -11.9865 -11.9865 0.5576 0.5576 0.5576 0.5576 0.9363 0.9363 0.9363 0.9363 2.3554 2.3554 2.3554 2.3554 13.1822 13.1822 13.1822 13.1822 15.9269 15.9269 15.9269 15.9269 k = 0.2123 0.1226 0.1913 ( 1168 PWs) bands (ev): -11.9346 -11.9346 -11.9346 -11.9346 0.5155 0.5155 0.5155 0.5155 0.9000 0.9000 0.9000 0.9000 2.2942 2.2942 2.2942 2.2942 13.1776 13.1776 13.1776 13.1776 15.8690 15.8690 15.8690 15.8690 k = 0.2192 0.1265 0.1913 ( 1176 PWs) bands (ev): -11.8813 -11.8813 -11.8813 -11.8813 0.4188 0.4188 0.4188 0.4188 0.9194 0.9194 0.9194 0.9194 2.2332 2.2332 2.2332 2.2332 13.1670 13.1670 13.1670 13.1670 15.8100 15.8100 15.8100 15.8100 k = 0.2260 0.1305 0.1913 ( 1176 PWs) bands (ev): -11.8267 -11.8267 -11.8267 -11.8267 0.2936 0.2936 0.2936 0.2936 0.9685 0.9685 0.9685 0.9685 2.1726 2.1726 2.1726 2.1726 13.1497 13.1497 13.1497 13.1497 15.7505 15.7505 15.7505 15.7505 k = 0.2329 0.1345 0.1913 ( 1176 PWs) bands (ev): -11.7707 -11.7707 -11.7707 -11.7707 0.1561 0.1561 0.1561 0.1561 1.0312 1.0312 1.0312 1.0312 2.1124 2.1124 2.1124 2.1124 13.1251 13.1251 13.1251 13.1251 15.6915 15.6915 15.6915 15.6915 k = 0.2397 0.1384 0.1913 ( 1174 PWs) bands (ev): -11.7134 -11.7134 -11.7134 -11.7134 0.0128 0.0128 0.0128 0.0128 1.1012 1.1012 1.1012 1.1012 2.0527 2.0527 2.0527 2.0527 13.0928 13.0928 13.0928 13.0928 15.6339 15.6339 15.6339 15.6339 k = 0.2466 0.1424 0.1913 ( 1176 PWs) bands (ev): -11.6549 -11.6549 -11.6549 -11.6549 -0.1335 -0.1335 -0.1335 -0.1335 1.1757 1.1757 1.1757 1.1757 1.9937 1.9937 1.9937 1.9937 13.0522 13.0522 13.0522 13.0522 15.5784 15.5784 15.5784 15.5784 k = 0.2534 0.1463 0.1913 ( 1178 PWs) bands (ev): -11.5952 -11.5952 -11.5952 -11.5952 -0.2814 -0.2814 -0.2814 -0.2814 1.2536 1.2536 1.2536 1.2536 1.9353 1.9353 1.9353 1.9353 13.0031 13.0031 13.0031 13.0031 15.5257 15.5257 15.5257 15.5257 k = 0.2603 0.1503 0.1913 ( 1178 PWs) bands (ev): -11.5343 -11.5343 -11.5343 -11.5343 -0.4302 -0.4302 -0.4302 -0.4302 1.3343 1.3343 1.3343 1.3343 1.8778 1.8778 1.8778 1.8778 12.9454 12.9454 12.9454 12.9454 15.4763 15.4763 15.4763 15.4763 k = 0.2671 0.1542 0.1913 ( 1178 PWs) bands (ev): -11.4724 -11.4724 -11.4724 -11.4724 -0.5793 -0.5793 -0.5793 -0.5793 1.4172 1.4172 1.4172 1.4172 1.8212 1.8212 1.8212 1.8212 12.8790 12.8790 12.8790 12.8790 15.4308 15.4308 15.4308 15.4308 k = 0.2740 0.1582 0.1913 ( 1182 PWs) bands (ev): -11.4094 -11.4094 -11.4094 -11.4094 -0.7284 -0.7284 -0.7284 -0.7284 1.5022 1.5022 1.5022 1.5022 1.7655 1.7655 1.7655 1.7655 12.8041 12.8041 12.8041 12.8041 15.3891 15.3891 15.3891 15.3891 k = 0.2808 0.1621 0.1913 ( 1180 PWs) bands (ev): -11.3455 -11.3455 -11.3455 -11.3455 -0.8771 -0.8771 -0.8771 -0.8771 1.5889 1.5889 1.5889 1.5889 1.7108 1.7108 1.7108 1.7108 12.7210 12.7210 12.7210 12.7210 15.3515 15.3515 15.3515 15.3515 k = 0.2877 0.1661 0.1913 ( 1184 PWs) bands (ev): -11.2807 -11.2807 -11.2807 -11.2807 -1.0251 -1.0251 -1.0251 -1.0251 1.6564 1.6564 1.6564 1.6564 1.6781 1.6781 1.6781 1.6781 12.6302 12.6302 12.6302 12.6302 15.3178 15.3178 15.3178 15.3178 k = 0.2945 0.1700 0.1913 ( 1186 PWs) bands (ev): -11.2152 -11.2152 -11.2152 -11.2152 -1.1724 -1.1724 -1.1724 -1.1724 1.6046 1.6046 1.6046 1.6046 1.7675 1.7675 1.7675 1.7675 12.5323 12.5323 12.5323 12.5323 15.2878 15.2878 15.2878 15.2878 k = 0.3014 0.1740 0.1913 ( 1186 PWs) bands (ev): -11.1489 -11.1489 -11.1489 -11.1489 -1.3185 -1.3185 -1.3185 -1.3185 1.5534 1.5534 1.5534 1.5534 1.8588 1.8588 1.8588 1.8588 12.4280 12.4280 12.4280 12.4280 15.2613 15.2613 15.2613 15.2613 k = 0.3082 0.1780 0.1913 ( 1186 PWs) bands (ev): -11.0820 -11.0820 -11.0820 -11.0820 -1.4633 -1.4633 -1.4633 -1.4633 1.5034 1.5034 1.5034 1.5034 1.9513 1.9513 1.9513 1.9513 12.3179 12.3179 12.3179 12.3179 15.2379 15.2379 15.2379 15.2379 k = 0.3151 0.1819 0.1913 ( 1182 PWs) bands (ev): -11.0146 -11.0146 -11.0146 -11.0146 -1.6067 -1.6067 -1.6067 -1.6067 1.4549 1.4549 1.4549 1.4549 2.0449 2.0449 2.0449 2.0449 12.2027 12.2027 12.2027 12.2027 15.2172 15.2172 15.2172 15.2172 k = 0.3219 0.1859 0.1913 ( 1180 PWs) bands (ev): -10.9468 -10.9468 -10.9468 -10.9468 -1.7483 -1.7483 -1.7483 -1.7483 1.4076 1.4076 1.4076 1.4076 2.1395 2.1395 2.1395 2.1395 12.0832 12.0832 12.0832 12.0832 15.1990 15.1990 15.1990 15.1990 k = 0.3288 0.1898 0.1913 ( 1172 PWs) bands (ev): -10.8787 -10.8787 -10.8787 -10.8787 -1.8880 -1.8880 -1.8880 -1.8880 1.3618 1.3618 1.3618 1.3618 2.2348 2.2348 2.2348 2.2348 11.9602 11.9602 11.9602 11.9602 15.1829 15.1829 15.1829 15.1829 k = 0.3356 0.1938 0.1913 ( 1172 PWs) bands (ev): -10.8104 -10.8104 -10.8104 -10.8104 -2.0256 -2.0256 -2.0256 -2.0256 1.3175 1.3175 1.3175 1.3175 2.3307 2.3307 2.3307 2.3307 11.8344 11.8344 11.8344 11.8344 15.1686 15.1686 15.1686 15.1686 k = 0.3425 0.1977 0.1913 ( 1176 PWs) bands (ev): -10.7422 -10.7422 -10.7422 -10.7422 -2.1609 -2.1609 -2.1609 -2.1609 1.2747 1.2747 1.2747 1.2747 2.4270 2.4270 2.4270 2.4270 11.7062 11.7062 11.7062 11.7062 15.1559 15.1559 15.1559 15.1559 k = 0.3493 0.2017 0.1913 ( 1176 PWs) bands (ev): -10.6741 -10.6741 -10.6741 -10.6741 -2.2936 -2.2936 -2.2936 -2.2936 1.2334 1.2334 1.2334 1.2334 2.5237 2.5237 2.5237 2.5237 11.5767 11.5767 11.5767 11.5767 15.1445 15.1445 15.1445 15.1445 k = 0.3562 0.2056 0.1913 ( 1176 PWs) bands (ev): -10.6063 -10.6063 -10.6063 -10.6063 -2.4236 -2.4236 -2.4236 -2.4236 1.1937 1.1937 1.1937 1.1937 2.6202 2.6202 2.6202 2.6202 11.4463 11.4463 11.4463 11.4463 15.1343 15.1343 15.1343 15.1343 k = 0.3630 0.2096 0.1913 ( 1176 PWs) bands (ev): -10.5389 -10.5389 -10.5389 -10.5389 -2.5505 -2.5505 -2.5505 -2.5505 1.1557 1.1557 1.1557 1.1557 2.7166 2.7166 2.7166 2.7166 11.3156 11.3156 11.3156 11.3156 15.1250 15.1250 15.1250 15.1250 k = 0.3699 0.2135 0.1913 ( 1176 PWs) bands (ev): -10.4723 -10.4723 -10.4723 -10.4723 -2.6741 -2.6741 -2.6741 -2.6741 1.1193 1.1193 1.1193 1.1193 2.8124 2.8124 2.8124 2.8124 11.1853 11.1853 11.1853 11.1853 15.1165 15.1165 15.1165 15.1165 k = 0.3767 0.2175 0.1913 ( 1176 PWs) bands (ev): -10.4066 -10.4066 -10.4066 -10.4066 -2.7942 -2.7942 -2.7942 -2.7942 1.0846 1.0846 1.0846 1.0846 2.9075 2.9075 2.9075 2.9075 11.0561 11.0561 11.0561 11.0561 15.1088 15.1088 15.1088 15.1088 k = 0.3836 0.2214 0.1913 ( 1176 PWs) bands (ev): -10.3419 -10.3419 -10.3419 -10.3419 -2.9105 -2.9105 -2.9105 -2.9105 1.0516 1.0516 1.0516 1.0516 3.0016 3.0016 3.0016 3.0016 10.9284 10.9284 10.9284 10.9284 15.1017 15.1017 15.1017 15.1017 k = 0.3904 0.2254 0.1913 ( 1176 PWs) bands (ev): -10.2787 -10.2787 -10.2787 -10.2787 -3.0227 -3.0227 -3.0227 -3.0227 1.0204 1.0204 1.0204 1.0204 3.0942 3.0942 3.0942 3.0942 10.8028 10.8028 10.8028 10.8028 15.0952 15.0952 15.0952 15.0952 k = 0.3973 0.2294 0.1913 ( 1176 PWs) bands (ev): -10.2170 -10.2170 -10.2170 -10.2170 -3.1305 -3.1305 -3.1305 -3.1305 0.9909 0.9909 0.9909 0.9909 3.1850 3.1850 3.1850 3.1850 10.6801 10.6801 10.6801 10.6801 15.0892 15.0892 15.0892 15.0892 k = 0.4041 0.2333 0.1913 ( 1172 PWs) bands (ev): -10.1572 -10.1572 -10.1572 -10.1572 -3.2337 -3.2337 -3.2337 -3.2337 0.9633 0.9633 0.9633 0.9633 3.2737 3.2737 3.2737 3.2737 10.5607 10.5607 10.5607 10.5607 15.0837 15.0837 15.0837 15.0837 k = 0.4110 0.2373 0.1913 ( 1172 PWs) bands (ev): -10.0995 -10.0995 -10.0995 -10.0995 -3.3318 -3.3318 -3.3318 -3.3318 0.9375 0.9375 0.9375 0.9375 3.3598 3.3598 3.3598 3.3598 10.4454 10.4454 10.4454 10.4454 15.0786 15.0786 15.0786 15.0786 k = 0.4178 0.2412 0.1913 ( 1172 PWs) bands (ev): -10.0444 -10.0444 -10.0444 -10.0444 -3.4246 -3.4246 -3.4246 -3.4246 0.9135 0.9135 0.9135 0.9135 3.4427 3.4427 3.4427 3.4427 10.3347 10.3347 10.3347 10.3347 15.0739 15.0739 15.0739 15.0739 k = 0.4247 0.2452 0.1913 ( 1176 PWs) bands (ev): -9.9919 -9.9919 -9.9919 -9.9919 -3.5117 -3.5117 -3.5117 -3.5117 0.8913 0.8913 0.8913 0.8913 3.5221 3.5221 3.5221 3.5221 10.2294 10.2294 10.2294 10.2294 15.0697 15.0697 15.0697 15.0697 k = 0.4315 0.2491 0.1913 ( 1176 PWs) bands (ev): -9.9426 -9.9426 -9.9426 -9.9426 -3.5928 -3.5928 -3.5928 -3.5928 0.8711 0.8711 0.8711 0.8711 3.5973 3.5973 3.5973 3.5973 10.1300 10.1300 10.1300 10.1300 15.0658 15.0658 15.0658 15.0658 k = 0.4384 0.2531 0.1913 ( 1174 PWs) bands (ev): -9.8967 -9.8967 -9.8967 -9.8967 -3.6675 -3.6675 -3.6675 -3.6675 0.8527 0.8527 0.8527 0.8527 3.6679 3.6679 3.6679 3.6679 10.0373 10.0373 10.0373 10.0373 15.0623 15.0623 15.0623 15.0623 k = 0.4452 0.2570 0.1913 ( 1174 PWs) bands (ev): -9.8545 -9.8545 -9.8545 -9.8545 -3.7356 -3.7356 -3.7356 -3.7356 0.8362 0.8362 0.8362 0.8362 3.7331 3.7331 3.7331 3.7331 9.9519 9.9519 9.9519 9.9519 15.0591 15.0591 15.0591 15.0591 k = 0.4521 0.2610 0.1913 ( 1170 PWs) bands (ev): -9.8164 -9.8164 -9.8164 -9.8164 -3.7965 -3.7965 -3.7965 -3.7965 0.8217 0.8217 0.8217 0.8217 3.7926 3.7926 3.7926 3.7926 9.8745 9.8745 9.8745 9.8745 15.0563 15.0563 15.0563 15.0563 k = 0.4589 0.2649 0.1913 ( 1170 PWs) bands (ev): -9.7827 -9.7827 -9.7827 -9.7827 -3.8501 -3.8501 -3.8501 -3.8501 0.8090 0.8090 0.8090 0.8090 3.8455 3.8455 3.8455 3.8455 9.8058 9.8058 9.8058 9.8058 15.0539 15.0539 15.0539 15.0539 k = 0.4658 0.2689 0.1913 ( 1172 PWs) bands (ev): -9.7535 -9.7535 -9.7535 -9.7535 -3.8961 -3.8961 -3.8961 -3.8961 0.7983 0.7983 0.7983 0.7983 3.8915 3.8915 3.8915 3.8915 9.7464 9.7464 9.7464 9.7464 15.0519 15.0519 15.0519 15.0519 k = 0.4726 0.2729 0.1913 ( 1172 PWs) bands (ev): -9.7293 -9.7293 -9.7293 -9.7293 -3.9340 -3.9340 -3.9340 -3.9340 0.7895 0.7895 0.7895 0.7895 3.9299 3.9299 3.9299 3.9299 9.6969 9.6969 9.6969 9.6969 15.0502 15.0502 15.0502 15.0502 k = 0.4795 0.2768 0.1913 ( 1172 PWs) bands (ev): -9.7102 -9.7102 -9.7102 -9.7102 -3.9638 -3.9638 -3.9638 -3.9638 0.7827 0.7827 0.7827 0.7827 3.9604 3.9604 3.9604 3.9604 9.6579 9.6579 9.6579 9.6579 15.0489 15.0489 15.0489 15.0489 k = 0.4863 0.2808 0.1913 ( 1176 PWs) bands (ev): -9.6965 -9.6965 -9.6965 -9.6965 -3.9853 -3.9853 -3.9853 -3.9853 0.7778 0.7778 0.7778 0.7778 3.9824 3.9824 3.9824 3.9824 9.6296 9.6296 9.6296 9.6296 15.0480 15.0480 15.0480 15.0480 k = 0.4932 0.2847 0.1913 ( 1176 PWs) bands (ev): -9.6882 -9.6882 -9.6882 -9.6882 -3.9982 -3.9982 -3.9982 -3.9982 0.7748 0.7748 0.7748 0.7748 3.9957 3.9957 3.9957 3.9957 9.6126 9.6126 9.6126 9.6126 15.0474 15.0474 15.0474 15.0474 k = 0.5000 0.2887 0.1913 ( 1180 PWs) bands (ev): -9.6854 -9.6854 -9.6854 -9.6854 -4.0026 -4.0026 -4.0026 -4.0026 0.7738 0.7738 0.7738 0.7738 4.0002 4.0002 4.0002 4.0002 9.6069 9.6069 9.6069 9.6069 15.0472 15.0472 15.0472 15.0472 k = 0.5000 0.2887 0.1913 ( 1180 PWs) bands (ev): -9.6854 -9.6854 -9.6854 -9.6854 -4.0026 -4.0026 -4.0026 -4.0026 0.7738 0.7738 0.7738 0.7738 4.0002 4.0002 4.0002 4.0002 9.6069 9.6069 9.6069 9.6069 15.0472 15.0472 15.0472 15.0472 k = 0.4960 0.2955 0.1913 ( 1176 PWs) bands (ev): -9.6848 -9.6848 -9.6847 -9.6847 -4.0018 -4.0018 -4.0018 -4.0018 0.7701 0.7701 0.7701 0.7701 4.0011 4.0011 4.0011 4.0011 9.6072 9.6072 9.6072 9.6072 15.0527 15.0527 15.0527 15.0527 k = 0.4921 0.3024 0.1913 ( 1178 PWs) bands (ev): -9.6829 -9.6829 -9.6829 -9.6829 -3.9997 -3.9997 -3.9996 -3.9996 0.7587 0.7587 0.7588 0.7588 4.0038 4.0038 4.0038 4.0038 9.6082 9.6082 9.6083 9.6083 15.0690 15.0690 15.0691 15.0691 k = 0.4881 0.3093 0.1913 ( 1178 PWs) bands (ev): -9.6799 -9.6799 -9.6798 -9.6798 -3.9960 -3.9960 -3.9959 -3.9959 0.7399 0.7399 0.7401 0.7401 4.0083 4.0083 4.0083 4.0083 9.6100 9.6100 9.6100 9.6100 15.0963 15.0963 15.0964 15.0964 k = 0.4841 0.3162 0.1913 ( 1174 PWs) bands (ev): -9.6756 -9.6756 -9.6755 -9.6755 -3.9909 -3.9909 -3.9908 -3.9908 0.7138 0.7138 0.7141 0.7141 4.0146 4.0146 4.0146 4.0146 9.6123 9.6123 9.6123 9.6123 15.1342 15.1342 15.1344 15.1344 k = 0.4802 0.3230 0.1913 ( 1176 PWs) bands (ev): -9.6701 -9.6701 -9.6700 -9.6700 -3.9843 -3.9843 -3.9842 -3.9842 0.6805 0.6805 0.6808 0.6808 4.0226 4.0226 4.0226 4.0226 9.6153 9.6153 9.6153 9.6153 15.1827 15.1827 15.1829 15.1829 k = 0.4762 0.3299 0.1913 ( 1178 PWs) bands (ev): -9.6635 -9.6635 -9.6634 -9.6634 -3.9762 -3.9762 -3.9761 -3.9761 0.6402 0.6402 0.6406 0.6406 4.0324 4.0324 4.0324 4.0324 9.6188 9.6188 9.6189 9.6189 15.2414 15.2414 15.2417 15.2417 k = 0.4722 0.3368 0.1913 ( 1178 PWs) bands (ev): -9.6557 -9.6557 -9.6555 -9.6555 -3.9668 -3.9668 -3.9666 -3.9666 0.5932 0.5932 0.5937 0.5937 4.0440 4.0440 4.0440 4.0440 9.6228 9.6228 9.6229 9.6229 15.3103 15.3103 15.3106 15.3106 k = 0.4683 0.3437 0.1913 ( 1178 PWs) bands (ev): -9.6467 -9.6467 -9.6465 -9.6465 -3.9558 -3.9558 -3.9556 -3.9556 0.5397 0.5397 0.5403 0.5403 4.0572 4.0572 4.0572 4.0572 9.6273 9.6273 9.6274 9.6274 15.3889 15.3889 15.3892 15.3892 k = 0.4643 0.3505 0.1913 ( 1174 PWs) bands (ev): -9.6365 -9.6365 -9.6364 -9.6364 -3.9434 -3.9434 -3.9432 -3.9432 0.4802 0.4802 0.4808 0.4808 4.0722 4.0722 4.0722 4.0722 9.6322 9.6322 9.6323 9.6323 15.4769 15.4769 15.4773 15.4773 k = 0.4603 0.3574 0.1913 ( 1174 PWs) bands (ev): -9.6253 -9.6253 -9.6251 -9.6251 -3.9296 -3.9296 -3.9294 -3.9294 0.4148 0.4148 0.4155 0.4155 4.0888 4.0888 4.0888 4.0888 9.6373 9.6373 9.6374 9.6374 15.5738 15.5738 15.5743 15.5743 k = 0.4563 0.3643 0.1913 ( 1178 PWs) bands (ev): -9.6130 -9.6130 -9.6128 -9.6128 -3.9144 -3.9144 -3.9141 -3.9141 0.3439 0.3439 0.3447 0.3447 4.1070 4.1070 4.1070 4.1070 9.6427 9.6427 9.6428 9.6428 15.6794 15.6794 15.6799 15.6799 k = 0.4524 0.3712 0.1913 ( 1178 PWs) bands (ev): -9.5997 -9.5997 -9.5995 -9.5995 -3.8977 -3.8977 -3.8974 -3.8974 0.2679 0.2679 0.2688 0.2688 4.1268 4.1268 4.1268 4.1268 9.6482 9.6482 9.6483 9.6483 15.7930 15.7930 15.7936 15.7936 k = 0.4484 0.3780 0.1913 ( 1180 PWs) bands (ev): -9.5854 -9.5854 -9.5851 -9.5851 -3.8796 -3.8796 -3.8792 -3.8792 0.1872 0.1872 0.1881 0.1881 4.1481 4.1481 4.1481 4.1481 9.6537 9.6537 9.6538 9.6538 15.9143 15.9143 15.9150 15.9150 k = 0.4444 0.3849 0.1913 ( 1180 PWs) bands (ev): -9.5701 -9.5701 -9.5698 -9.5698 -3.8600 -3.8600 -3.8597 -3.8597 0.1022 0.1022 0.1032 0.1032 4.1710 4.1710 4.1710 4.1710 9.6591 9.6591 9.6593 9.6593 16.0427 16.0427 16.0435 16.0435 k = 0.4405 0.3918 0.1913 ( 1180 PWs) bands (ev): -9.5539 -9.5539 -9.5536 -9.5536 -3.8391 -3.8391 -3.8387 -3.8387 0.0132 0.0132 0.0143 0.0143 4.1952 4.1952 4.1952 4.1952 9.6644 9.6644 9.6645 9.6645 16.1777 16.1777 16.1785 16.1785 k = 0.4365 0.3986 0.1913 ( 1180 PWs) bands (ev): -9.5368 -9.5368 -9.5365 -9.5365 -3.8168 -3.8168 -3.8164 -3.8164 -0.0792 -0.0792 -0.0781 -0.0781 4.2208 4.2208 4.2208 4.2208 9.6694 9.6694 9.6695 9.6695 16.3186 16.3186 16.3195 16.3195 k = 0.4325 0.4055 0.1913 ( 1180 PWs) bands (ev): -9.5189 -9.5189 -9.5186 -9.5186 -3.7931 -3.7931 -3.7926 -3.7926 -0.1748 -0.1748 -0.1736 -0.1736 4.2477 4.2477 4.2477 4.2477 9.6740 9.6740 9.6741 9.6741 16.4647 16.4647 16.4658 16.4658 k = 0.4286 0.4124 0.1913 ( 1180 PWs) bands (ev): -9.5003 -9.5003 -9.5000 -9.5000 -3.7680 -3.7680 -3.7675 -3.7675 -0.2732 -0.2732 -0.2719 -0.2719 4.2759 4.2759 4.2759 4.2759 9.6781 9.6781 9.6782 9.6782 16.6154 16.6154 16.6166 16.6166 k = 0.4246 0.4193 0.1913 ( 1184 PWs) bands (ev): -9.4810 -9.4810 -9.4807 -9.4807 -3.7417 -3.7417 -3.7411 -3.7411 -0.3739 -0.3739 -0.3725 -0.3725 4.3051 4.3051 4.3051 4.3051 9.6816 9.6816 9.6817 9.6817 16.7698 16.7698 16.7712 16.7712 k = 0.4206 0.4261 0.1913 ( 1184 PWs) bands (ev): -9.4611 -9.4611 -9.4607 -9.4607 -3.7139 -3.7139 -3.7133 -3.7133 -0.4765 -0.4765 -0.4751 -0.4751 4.3354 4.3354 4.3354 4.3354 9.6843 9.6843 9.6845 9.6845 16.9269 16.9269 16.9284 16.9284 k = 0.4167 0.4330 0.1913 ( 1192 PWs) bands (ev): -9.4407 -9.4407 -9.4403 -9.4403 -3.6849 -3.6849 -3.6842 -3.6842 -0.5806 -0.5806 -0.5791 -0.5791 4.3665 4.3665 4.3665 4.3665 9.6863 9.6863 9.6864 9.6864 17.0853 17.0853 17.0869 17.0869 k = 0.4127 0.4399 0.1913 ( 1192 PWs) bands (ev): -9.4198 -9.4198 -9.4194 -9.4194 -3.6547 -3.6547 -3.6539 -3.6539 -0.6859 -0.6859 -0.6843 -0.6843 4.3986 4.3986 4.3986 4.3986 9.6874 9.6874 9.6875 9.6875 17.2429 17.2429 17.2447 17.2447 k = 0.4087 0.4468 0.1913 ( 1192 PWs) bands (ev): -9.3985 -9.3985 -9.3981 -9.3981 -3.6232 -3.6232 -3.6223 -3.6223 -0.7919 -0.7919 -0.7902 -0.7902 4.4314 4.4314 4.4314 4.4314 9.6875 9.6875 9.6876 9.6876 17.3964 17.3964 17.3983 17.3983 k = 0.4048 0.4536 0.1913 ( 1192 PWs) bands (ev): -9.3770 -9.3770 -9.3766 -9.3766 -3.5905 -3.5905 -3.5896 -3.5896 -0.8983 -0.8983 -0.8964 -0.8964 4.4647 4.4647 4.4647 4.4647 9.6865 9.6865 9.6866 9.6866 17.5376 17.5376 17.5394 17.5394 k = 0.4008 0.4605 0.1913 ( 1194 PWs) bands (ev): -9.3554 -9.3554 -9.3549 -9.3549 -3.5567 -3.5567 -3.5557 -3.5557 -1.0046 -1.0046 -1.0027 -1.0027 4.4984 4.4984 4.4984 4.4984 9.6844 9.6844 9.6845 9.6845 17.6467 17.6467 17.6481 17.6481 k = 0.3968 0.4674 0.1913 ( 1194 PWs) bands (ev): -9.3336 -9.3336 -9.3332 -9.3332 -3.5218 -3.5218 -3.5207 -3.5207 -1.1105 -1.1105 -1.1084 -1.1084 4.5324 4.5324 4.5324 4.5324 9.6811 9.6811 9.6812 9.6812 17.6899 17.6899 17.6905 17.6906 k = 0.3929 0.4743 0.1913 ( 1194 PWs) bands (ev): -9.3120 -9.3120 -9.3115 -9.3115 -3.4860 -3.4860 -3.4848 -3.4848 -1.2154 -1.2154 -1.2132 -1.2132 4.5664 4.5664 4.5664 4.5664 9.6766 9.6766 9.6768 9.6768 17.6683 17.6683 17.6684 17.6684 k = 0.3889 0.4811 0.1913 ( 1194 PWs) bands (ev): -9.2906 -9.2906 -9.2901 -9.2901 -3.4493 -3.4493 -3.4479 -3.4479 -1.3191 -1.3191 -1.3167 -1.3167 4.6004 4.6004 4.6004 4.6004 9.6710 9.6710 9.6711 9.6711 17.6166 17.6166 17.6166 17.6166 k = 0.3849 0.4880 0.1913 ( 1194 PWs) bands (ev): -9.2695 -9.2695 -9.2690 -9.2690 -3.4118 -3.4118 -3.4103 -3.4103 -1.4210 -1.4210 -1.4184 -1.4184 4.6339 4.6339 4.6340 4.6340 9.6642 9.6642 9.6643 9.6643 17.5552 17.5552 17.5552 17.5552 k = 0.3810 0.4949 0.1913 ( 1194 PWs) bands (ev): -9.2489 -9.2489 -9.2483 -9.2483 -3.3736 -3.3736 -3.3720 -3.3720 -1.5207 -1.5207 -1.5179 -1.5179 4.6670 4.6670 4.6670 4.6670 9.6563 9.6563 9.6564 9.6564 17.4917 17.4917 17.4917 17.4917 k = 0.3770 0.5017 0.1913 ( 1198 PWs) bands (ev): -9.2289 -9.2289 -9.2283 -9.2283 -3.3351 -3.3351 -3.3332 -3.3332 -1.6177 -1.6177 -1.6147 -1.6147 4.6992 4.6992 4.6992 4.6992 9.6474 9.6474 9.6476 9.6476 17.4295 17.4295 17.4296 17.4296 k = 0.3730 0.5086 0.1913 ( 1198 PWs) bands (ev): -9.2097 -9.2097 -9.2091 -9.2091 -3.2964 -3.2964 -3.2943 -3.2943 -1.7114 -1.7114 -1.7082 -1.7082 4.7303 4.7303 4.7303 4.7303 9.6377 9.6377 9.6378 9.6378 17.3704 17.3704 17.3705 17.3705 k = 0.3690 0.5155 0.1913 ( 1202 PWs) bands (ev): -9.1914 -9.1914 -9.1909 -9.1909 -3.2578 -3.2578 -3.2554 -3.2554 -1.8012 -1.8012 -1.7978 -1.7978 4.7600 4.7600 4.7601 4.7601 9.6273 9.6273 9.6274 9.6274 17.3154 17.3154 17.3154 17.3154 k = 0.3651 0.5224 0.1913 ( 1202 PWs) bands (ev): -9.1743 -9.1743 -9.1737 -9.1737 -3.2197 -3.2197 -3.2171 -3.2171 -1.8864 -1.8864 -1.8826 -1.8826 4.7881 4.7881 4.7882 4.7882 9.6164 9.6164 9.6166 9.6166 17.2651 17.2651 17.2652 17.2652 k = 0.3611 0.5292 0.1913 ( 1206 PWs) bands (ev): -9.1585 -9.1585 -9.1579 -9.1579 -3.1827 -3.1827 -3.1797 -3.1797 -1.9661 -1.9661 -1.9620 -1.9620 4.8142 4.8142 4.8142 4.8142 9.6054 9.6054 9.6056 9.6056 17.2201 17.2201 17.2202 17.2202 k = 0.3571 0.5361 0.1913 ( 1202 PWs) bands (ev): -9.1441 -9.1441 -9.1436 -9.1436 -3.1475 -3.1475 -3.1442 -3.1442 -2.0393 -2.0393 -2.0348 -2.0348 4.8381 4.8381 4.8381 4.8381 9.5946 9.5946 9.5947 9.5947 17.1808 17.1808 17.1809 17.1809 k = 0.3532 0.5430 0.1913 ( 1198 PWs) bands (ev): -9.1315 -9.1315 -9.1309 -9.1309 -3.1149 -3.1149 -3.1112 -3.1112 -2.1049 -2.1049 -2.1000 -2.1000 4.8592 4.8592 4.8593 4.8593 9.5842 9.5842 9.5844 9.5844 17.1474 17.1474 17.1475 17.1475 k = 0.3492 0.5499 0.1913 ( 1202 PWs) bands (ev): -9.1207 -9.1207 -9.1202 -9.1202 -3.0861 -3.0861 -3.0819 -3.0819 -2.1616 -2.1616 -2.1562 -2.1562 4.8773 4.8773 4.8773 4.8773 9.5747 9.5747 9.5749 9.5749 17.1200 17.1200 17.1201 17.1201 k = 0.3452 0.5567 0.1913 ( 1202 PWs) bands (ev): -9.1120 -9.1120 -9.1115 -9.1115 -3.0621 -3.0621 -3.0576 -3.0576 -2.2076 -2.2076 -2.2019 -2.2019 4.8920 4.8920 4.8920 4.8920 9.5665 9.5665 9.5667 9.5667 17.0988 17.0988 17.0989 17.0989 k = 0.3413 0.5636 0.1913 ( 1208 PWs) bands (ev): -9.1056 -9.1056 -9.1050 -9.1050 -3.0443 -3.0443 -3.0395 -3.0395 -2.2416 -2.2416 -2.2356 -2.2356 4.9029 4.9029 4.9029 4.9029 9.5601 9.5601 9.5603 9.5603 17.0838 17.0838 17.0838 17.0838 k = 0.3373 0.5705 0.1913 ( 1208 PWs) bands (ev): -9.1016 -9.1016 -9.1010 -9.1010 -3.0336 -3.0336 -3.0285 -3.0285 -2.2623 -2.2623 -2.2560 -2.2560 4.9097 4.9097 4.9097 4.9097 9.5559 9.5559 9.5561 9.5561 17.0748 17.0748 17.0749 17.0749 k = 0.3333 0.5774 0.1913 ( 1212 PWs) bands (ev): -9.1002 -9.1002 -9.0996 -9.0996 -3.0301 -3.0301 -3.0249 -3.0249 -2.2692 -2.2692 -2.2628 -2.2628 4.9120 4.9120 4.9120 4.9120 9.5544 9.5544 9.5546 9.5546 17.0719 17.0719 17.0719 17.0719 k = 0.3333 0.5774 0.1913 ( 1212 PWs) bands (ev): -9.1002 -9.1002 -9.0996 -9.0996 -3.0301 -3.0301 -3.0249 -3.0249 -2.2692 -2.2692 -2.2628 -2.2628 4.9120 4.9120 4.9120 4.9120 9.5544 9.5544 9.5546 9.5546 17.0719 17.0719 17.0719 17.0719 k = 0.3294 0.5705 0.1913 ( 1204 PWs) bands (ev): -9.1016 -9.1016 -9.1011 -9.1011 -3.0332 -3.0332 -3.0281 -3.0281 -2.2626 -2.2626 -2.2563 -2.2563 4.9096 4.9096 4.9096 4.9096 9.5561 9.5561 9.5562 9.5562 17.0748 17.0748 17.0748 17.0748 k = 0.3254 0.5636 0.1913 ( 1204 PWs) bands (ev): -9.1060 -9.1060 -9.1055 -9.1055 -3.0416 -3.0416 -3.0367 -3.0367 -2.2437 -2.2437 -2.2377 -2.2377 4.9021 4.9021 4.9021 4.9021 9.5613 9.5613 9.5615 9.5615 17.0832 17.0832 17.0833 17.0833 k = 0.3214 0.5567 0.1913 ( 1200 PWs) bands (ev): -9.1135 -9.1135 -9.1129 -9.1129 -3.0534 -3.0534 -3.0488 -3.0488 -2.2143 -2.2143 -2.2085 -2.2085 4.8893 4.8893 4.8893 4.8893 9.5706 9.5706 9.5708 9.5708 17.0970 17.0970 17.0970 17.0970 k = 0.3175 0.5499 0.1913 ( 1200 PWs) bands (ev): -9.1242 -9.1242 -9.1237 -9.1237 -3.0668 -3.0668 -3.0625 -3.0625 -2.1762 -2.1762 -2.1707 -2.1707 4.8709 4.8709 4.8710 4.8710 9.5843 9.5843 9.5845 9.5845 17.1157 17.1157 17.1158 17.1158 k = 0.3135 0.5430 0.1913 ( 1192 PWs) bands (ev): -9.1383 -9.1383 -9.1377 -9.1377 -3.0799 -3.0799 -3.0759 -3.0759 -2.1307 -2.1307 -2.1256 -2.1256 4.8470 4.8470 4.8470 4.8470 9.6027 9.6027 9.6029 9.6029 17.1390 17.1390 17.1390 17.1390 k = 0.3095 0.5361 0.1913 ( 1192 PWs) bands (ev): -9.1558 -9.1558 -9.1552 -9.1552 -3.0913 -3.0913 -3.0876 -3.0876 -2.0796 -2.0796 -2.0747 -2.0747 4.8173 4.8173 4.8173 4.8173 9.6262 9.6262 9.6264 9.6264 17.1662 17.1662 17.1662 17.1662 k = 0.3056 0.5292 0.1913 ( 1192 PWs) bands (ev): -9.1767 -9.1767 -9.1762 -9.1762 -3.1000 -3.1000 -3.0966 -3.0966 -2.0237 -2.0237 -2.0191 -2.0191 4.7818 4.7818 4.7818 4.7818 9.6549 9.6549 9.6550 9.6550 17.1969 17.1969 17.1969 17.1969 k = 0.3016 0.5224 0.1913 ( 1192 PWs) bands (ev): -9.2012 -9.2012 -9.2007 -9.2007 -3.1051 -3.1051 -3.1019 -3.1019 -1.9638 -1.9638 -1.9595 -1.9595 4.7405 4.7405 4.7406 4.7406 9.6889 9.6889 9.6891 9.6891 17.2303 17.2303 17.2303 17.2303 k = 0.2976 0.5155 0.1913 ( 1192 PWs) bands (ev): -9.2292 -9.2292 -9.2286 -9.2286 -3.1059 -3.1059 -3.1029 -3.1029 -1.9005 -1.9005 -1.8964 -1.8964 4.6936 4.6936 4.6936 4.6936 9.7285 9.7285 9.7287 9.7287 17.2656 17.2656 17.2656 17.2656 k = 0.2937 0.5086 0.1913 ( 1196 PWs) bands (ev): -9.2606 -9.2606 -9.2601 -9.2601 -3.1020 -3.1020 -3.0992 -3.0992 -1.8343 -1.8343 -1.8304 -1.8304 4.6412 4.6412 4.6413 4.6413 9.7736 9.7736 9.7738 9.7738 17.3020 17.3020 17.3020 17.3020 k = 0.2897 0.5017 0.1913 ( 1196 PWs) bands (ev): -9.2955 -9.2955 -9.2950 -9.2950 -3.0930 -3.0930 -3.0904 -3.0904 -1.7656 -1.7656 -1.7618 -1.7618 4.5836 4.5836 4.5836 4.5836 9.8241 9.8241 9.8243 9.8243 17.3382 17.3382 17.3383 17.3383 k = 0.2857 0.4949 0.1913 ( 1192 PWs) bands (ev): -9.3338 -9.3338 -9.3333 -9.3333 -3.0788 -3.0788 -3.0763 -3.0763 -1.6945 -1.6945 -1.6909 -1.6909 4.5210 4.5210 4.5210 4.5210 9.8801 9.8801 9.8803 9.8803 17.3732 17.3732 17.3732 17.3732 k = 0.2817 0.4880 0.1913 ( 1192 PWs) bands (ev): -9.3753 -9.3753 -9.3749 -9.3749 -3.0592 -3.0592 -3.0569 -3.0569 -1.6213 -1.6213 -1.6179 -1.6179 4.4535 4.4535 4.4535 4.4535 9.9414 9.9414 9.9416 9.9416 17.4053 17.4053 17.4054 17.4054 k = 0.2778 0.4811 0.1913 ( 1192 PWs) bands (ev): -9.4200 -9.4200 -9.4196 -9.4196 -3.0342 -3.0342 -3.0320 -3.0320 -1.5463 -1.5463 -1.5430 -1.5430 4.3815 4.3815 4.3815 4.3815 10.0078 10.0078 10.0080 10.0080 17.4331 17.4331 17.4333 17.4333 k = 0.2738 0.4743 0.1913 ( 1192 PWs) bands (ev): -9.4677 -9.4677 -9.4673 -9.4673 -3.0038 -3.0038 -3.0016 -3.0016 -1.4695 -1.4695 -1.4664 -1.4664 4.3054 4.3054 4.3054 4.3054 10.0792 10.0792 10.0793 10.0793 17.4550 17.4550 17.4553 17.4553 k = 0.2698 0.4674 0.1913 ( 1196 PWs) bands (ev): -9.5182 -9.5182 -9.5178 -9.5178 -2.9680 -2.9680 -2.9659 -2.9659 -1.3911 -1.3911 -1.3880 -1.3880 4.2254 4.2254 4.2254 4.2254 10.1552 10.1552 10.1554 10.1554 17.4694 17.4694 17.4698 17.4698 k = 0.2659 0.4605 0.1913 ( 1192 PWs) bands (ev): -9.5715 -9.5715 -9.5710 -9.5710 -2.9269 -2.9269 -2.9249 -2.9249 -1.3111 -1.3111 -1.3081 -1.3081 4.1419 4.1419 4.1419 4.1419 10.2358 10.2358 10.2360 10.2360 17.4748 17.4748 17.4753 17.4753 k = 0.2619 0.4536 0.1913 ( 1194 PWs) bands (ev): -9.6272 -9.6272 -9.6268 -9.6268 -2.8807 -2.8807 -2.8787 -2.8787 -1.2297 -1.2297 -1.2268 -1.2268 4.0553 4.0553 4.0553 4.0553 10.3206 10.3206 10.3208 10.3208 17.4704 17.4704 17.4711 17.4711 k = 0.2579 0.4468 0.1913 ( 1198 PWs) bands (ev): -9.6852 -9.6852 -9.6848 -9.6848 -2.8293 -2.8293 -2.8274 -2.8274 -1.1469 -1.1469 -1.1442 -1.1442 3.9658 3.9658 3.9658 3.9658 10.4094 10.4094 10.4096 10.4096 17.4557 17.4557 17.4565 17.4565 k = 0.2540 0.4399 0.1913 ( 1190 PWs) bands (ev): -9.7454 -9.7454 -9.7450 -9.7450 -2.7729 -2.7729 -2.7711 -2.7711 -1.0629 -1.0629 -1.0601 -1.0601 3.8738 3.8738 3.8738 3.8738 10.5019 10.5019 10.5021 10.5021 17.4309 17.4309 17.4318 17.4318 k = 0.2500 0.4330 0.1913 ( 1190 PWs) bands (ev): -9.8075 -9.8075 -9.8071 -9.8071 -2.7119 -2.7119 -2.7101 -2.7101 -0.9776 -0.9776 -0.9749 -0.9749 3.7796 3.7796 3.7796 3.7796 10.5979 10.5979 10.5981 10.5981 17.3966 17.3966 17.3976 17.3976 k = 0.2460 0.4261 0.1913 ( 1190 PWs) bands (ev): -9.8714 -9.8714 -9.8710 -9.8710 -2.6462 -2.6462 -2.6445 -2.6445 -0.8911 -0.8911 -0.8885 -0.8885 3.6834 3.6834 3.6834 3.6834 10.6970 10.6970 10.6972 10.6972 17.3537 17.3537 17.3548 17.3548 k = 0.2421 0.4193 0.1913 ( 1194 PWs) bands (ev): -9.9368 -9.9368 -9.9364 -9.9364 -2.5761 -2.5761 -2.5744 -2.5744 -0.8036 -0.8036 -0.8011 -0.8011 3.5857 3.5857 3.5857 3.5857 10.7990 10.7990 10.7991 10.7991 17.3035 17.3035 17.3047 17.3047 k = 0.2381 0.4124 0.1913 ( 1194 PWs) bands (ev): -10.0036 -10.0036 -10.0032 -10.0032 -2.5017 -2.5017 -2.5001 -2.5001 -0.7150 -0.7150 -0.7125 -0.7125 3.4866 3.4866 3.4866 3.4866 10.9035 10.9035 10.9037 10.9037 17.2473 17.2473 17.2484 17.2484 k = 0.2341 0.4055 0.1913 ( 1194 PWs) bands (ev): -10.0715 -10.0715 -10.0712 -10.0712 -2.4233 -2.4233 -2.4216 -2.4216 -0.6254 -0.6254 -0.6230 -0.6230 3.3864 3.3864 3.3864 3.3864 11.0103 11.0103 11.0105 11.0105 17.1862 17.1862 17.1873 17.1873 k = 0.2302 0.3986 0.1913 ( 1194 PWs) bands (ev): -10.1405 -10.1405 -10.1402 -10.1402 -2.3409 -2.3409 -2.3393 -2.3393 -0.5349 -0.5349 -0.5325 -0.5325 3.2853 3.2853 3.2853 3.2853 11.1191 11.1191 11.1193 11.1193 17.1214 17.1214 17.1225 17.1225 k = 0.2262 0.3918 0.1913 ( 1194 PWs) bands (ev): -10.2103 -10.2103 -10.2101 -10.2101 -2.2547 -2.2547 -2.2531 -2.2531 -0.4435 -0.4435 -0.4412 -0.4412 3.1836 3.1836 3.1836 3.1836 11.2296 11.2296 11.2298 11.2298 17.0539 17.0539 17.0550 17.0550 k = 0.2222 0.3849 0.1913 ( 1190 PWs) bands (ev): -10.2809 -10.2809 -10.2806 -10.2806 -2.1650 -2.1650 -2.1634 -2.1634 -0.3513 -0.3513 -0.3490 -0.3490 3.0815 3.0815 3.0816 3.0816 11.3414 11.3414 11.3417 11.3417 16.9846 16.9846 16.9857 16.9857 k = 0.2183 0.3780 0.1913 ( 1190 PWs) bands (ev): -10.3519 -10.3519 -10.3517 -10.3517 -2.0718 -2.0718 -2.0703 -2.0703 -0.2583 -0.2583 -0.2561 -0.2561 2.9793 2.9793 2.9793 2.9793 11.4543 11.4543 11.4545 11.4545 16.9143 16.9143 16.9153 16.9153 k = 0.2143 0.3712 0.1913 ( 1190 PWs) bands (ev): -10.4233 -10.4233 -10.4231 -10.4231 -1.9755 -1.9755 -1.9740 -1.9740 -0.1647 -0.1647 -0.1625 -0.1625 2.8769 2.8769 2.8770 2.8770 11.5678 11.5678 11.5680 11.5680 16.8438 16.8438 16.8447 16.8447 k = 0.2103 0.3643 0.1913 ( 1194 PWs) bands (ev): -10.4950 -10.4950 -10.4947 -10.4947 -1.8760 -1.8760 -1.8745 -1.8745 -0.0704 -0.0704 -0.0683 -0.0683 2.7748 2.7748 2.7748 2.7748 11.6815 11.6815 11.6818 11.6818 16.7736 16.7736 16.7745 16.7745 k = 0.2063 0.3574 0.1913 ( 1190 PWs) bands (ev): -10.5667 -10.5667 -10.5665 -10.5665 -1.7736 -1.7736 -1.7721 -1.7721 0.0245 0.0245 0.0265 0.0265 2.6729 2.6729 2.6730 2.6730 11.7952 11.7952 11.7954 11.7954 16.7045 16.7045 16.7053 16.7053 k = 0.2024 0.3505 0.1913 ( 1182 PWs) bands (ev): -10.6384 -10.6384 -10.6382 -10.6382 -1.6684 -1.6684 -1.6670 -1.6670 0.1199 0.1199 0.1219 0.1219 2.5716 2.5716 2.5716 2.5716 11.9084 11.9084 11.9086 11.9086 16.6370 16.6370 16.6377 16.6377 k = 0.1984 0.3437 0.1913 ( 1182 PWs) bands (ev): -10.7100 -10.7100 -10.7098 -10.7098 -1.5606 -1.5606 -1.5592 -1.5592 0.2157 0.2157 0.2176 0.2176 2.4708 2.4708 2.4709 2.4709 12.0205 12.0205 12.0208 12.0208 16.5716 16.5716 16.5723 16.5723 k = 0.1944 0.3368 0.1913 ( 1174 PWs) bands (ev): -10.7813 -10.7813 -10.7812 -10.7812 -1.4503 -1.4503 -1.4489 -1.4489 0.3120 0.3120 0.3138 0.3138 2.3709 2.3709 2.3709 2.3709 12.1313 12.1313 12.1316 12.1316 16.5090 16.5090 16.5096 16.5096 k = 0.1905 0.3299 0.1913 ( 1178 PWs) bands (ev): -10.8523 -10.8523 -10.8522 -10.8522 -1.3377 -1.3377 -1.3364 -1.3364 0.4084 0.4084 0.4102 0.4102 2.2718 2.2718 2.2718 2.2718 12.2400 12.2400 12.2403 12.2403 16.4496 16.4496 16.4500 16.4500 k = 0.1865 0.3230 0.1913 ( 1182 PWs) bands (ev): -10.9228 -10.9228 -10.9227 -10.9227 -1.2230 -1.2230 -1.2217 -1.2217 0.5051 0.5051 0.5069 0.5069 2.1737 2.1737 2.1738 2.1738 12.3462 12.3462 12.3465 12.3465 16.3939 16.3939 16.3943 16.3943 k = 0.1825 0.3162 0.1913 ( 1186 PWs) bands (ev): -10.9928 -10.9928 -10.9927 -10.9927 -1.1063 -1.1063 -1.1050 -1.1050 0.6020 0.6020 0.6037 0.6037 2.0768 2.0768 2.0769 2.0769 12.4492 12.4492 12.4495 12.4495 16.3426 16.3426 16.3429 16.3429 k = 0.1786 0.3093 0.1913 ( 1186 PWs) bands (ev): -11.0621 -11.0621 -11.0620 -11.0620 -0.9877 -0.9877 -0.9864 -0.9864 0.6989 0.6989 0.7005 0.7005 1.9812 1.9812 1.9813 1.9813 12.5485 12.5485 12.5488 12.5488 16.2962 16.2962 16.2964 16.2964 k = 0.1746 0.3024 0.1913 ( 1180 PWs) bands (ev): -11.1307 -11.1307 -11.1306 -11.1306 -0.8672 -0.8672 -0.8660 -0.8660 0.7957 0.7957 0.7973 0.7973 1.8870 1.8870 1.8870 1.8870 12.6435 12.6435 12.6438 12.6438 16.2553 16.2553 16.2554 16.2554 k = 0.1706 0.2955 0.1913 ( 1180 PWs) bands (ev): -11.1985 -11.1985 -11.1984 -11.1984 -0.7453 -0.7453 -0.7441 -0.7441 0.8924 0.8924 0.8939 0.8939 1.7943 1.7943 1.7944 1.7944 12.7334 12.7334 12.7337 12.7337 16.2203 16.2203 16.2203 16.2203 k = 0.1667 0.2887 0.1913 ( 1172 PWs) bands (ev): -11.2655 -11.2655 -11.2654 -11.2654 -0.6220 -0.6220 -0.6208 -0.6208 0.9888 0.9888 0.9903 0.9903 1.7035 1.7035 1.7037 1.7037 12.8176 12.8176 12.8180 12.8180 16.1917 16.1917 16.1917 16.1917 k = 0.1627 0.2818 0.1913 ( 1174 PWs) bands (ev): -11.3315 -11.3315 -11.3314 -11.3314 -0.4976 -0.4976 -0.4964 -0.4964 1.0846 1.0846 1.0859 1.0859 1.6148 1.6148 1.6150 1.6150 12.8955 12.8955 12.8959 12.8959 16.1699 16.1699 16.1701 16.1701 k = 0.1587 0.2749 0.1913 ( 1174 PWs) bands (ev): -11.3965 -11.3965 -11.3964 -11.3964 -0.3723 -0.3723 -0.3711 -0.3711 1.1792 1.1792 1.1803 1.1803 1.5288 1.5288 1.5291 1.5291 12.9663 12.9663 12.9668 12.9668 16.1554 16.1554 16.1557 16.1557 k = 0.1548 0.2681 0.1913 ( 1174 PWs) bands (ev): -11.4605 -11.4605 -11.4604 -11.4604 -0.2462 -0.2462 -0.2451 -0.2451 1.2698 1.2698 1.2705 1.2705 1.4483 1.4483 1.4491 1.4491 13.0298 13.0298 13.0302 13.0302 16.1484 16.1484 16.1488 16.1488 k = 0.1508 0.2612 0.1913 ( 1178 PWs) bands (ev): -11.5233 -11.5233 -11.5233 -11.5233 -0.1198 -0.1198 -0.1187 -0.1187 1.3215 1.3215 1.3225 1.3225 1.4077 1.4077 1.4101 1.4101 13.0853 13.0853 13.0858 13.0858 16.1489 16.1489 16.1493 16.1493 k = 0.1468 0.2543 0.1913 ( 1178 PWs) bands (ev): -11.5850 -11.5850 -11.5849 -11.5849 0.0065 0.0065 0.0075 0.0075 1.2653 1.2653 1.2659 1.2659 1.4785 1.4785 1.4805 1.4805 13.1328 13.1328 13.1333 13.1333 16.1568 16.1568 16.1573 16.1573 k = 0.1429 0.2474 0.1913 ( 1178 PWs) bands (ev): -11.6455 -11.6455 -11.6454 -11.6454 0.1319 0.1319 0.1329 0.1329 1.1921 1.1921 1.1926 1.1926 1.5688 1.5688 1.5705 1.5705 13.1721 13.1721 13.1726 13.1726 16.1717 16.1717 16.1723 16.1723 k = 0.1389 0.2406 0.1913 ( 1178 PWs) bands (ev): -11.7047 -11.7047 -11.7047 -11.7047 0.2553 0.2553 0.2562 0.2562 1.1210 1.1210 1.1213 1.1213 1.6606 1.6606 1.6622 1.6622 13.2033 13.2033 13.2038 13.2038 16.1929 16.1929 16.1936 16.1936 k = 0.1349 0.2337 0.1913 ( 1178 PWs) bands (ev): -11.7626 -11.7626 -11.7626 -11.7626 0.3742 0.3742 0.3750 0.3750 1.0558 1.0558 1.0562 1.0562 1.7522 1.7522 1.7537 1.7537 13.2266 13.2266 13.2271 13.2271 16.2195 16.2195 16.2203 16.2203 k = 0.1310 0.2268 0.1913 ( 1178 PWs) bands (ev): -11.8192 -11.8192 -11.8192 -11.8192 0.4833 0.4833 0.4840 0.4840 1.0024 1.0024 1.0029 1.0029 1.8431 1.8431 1.8445 1.8445 13.2424 13.2424 13.2429 13.2429 16.2503 16.2503 16.2512 16.2512 k = 0.1270 0.2199 0.1913 ( 1178 PWs) bands (ev): -11.8744 -11.8744 -11.8744 -11.8744 0.5702 0.5702 0.5707 0.5707 0.9731 0.9731 0.9738 0.9738 1.9330 1.9330 1.9343 1.9343 13.2513 13.2513 13.2517 13.2517 16.2839 16.2839 16.2849 16.2849 k = 0.1230 0.2131 0.1913 ( 1178 PWs) bands (ev): -11.9282 -11.9282 -11.9282 -11.9282 0.6136 0.6136 0.6139 0.6139 0.9892 0.9892 0.9901 0.9901 2.0218 2.0218 2.0230 2.0230 13.2538 13.2538 13.2542 13.2542 16.3185 16.3185 16.3196 16.3196 k = 0.1190 0.2062 0.1913 ( 1178 PWs) bands (ev): -11.9806 -11.9806 -11.9805 -11.9805 0.6067 0.6067 0.6067 0.6067 1.0574 1.0574 1.0584 1.0584 2.1092 2.1092 2.1105 2.1105 13.2505 13.2505 13.2509 13.2509 16.3526 16.3526 16.3537 16.3537 k = 0.1151 0.1993 0.1913 ( 1174 PWs) bands (ev): -12.0314 -12.0314 -12.0314 -12.0314 0.5695 0.5695 0.5695 0.5695 1.1575 1.1575 1.1585 1.1585 2.1954 2.1954 2.1966 2.1966 13.2421 13.2421 13.2426 13.2426 16.3844 16.3844 16.3856 16.3856 k = 0.1111 0.1925 0.1913 ( 1174 PWs) bands (ev): -12.0808 -12.0808 -12.0808 -12.0808 0.5196 0.5196 0.5196 0.5196 1.2717 1.2717 1.2727 1.2727 2.2799 2.2799 2.2810 2.2810 13.2293 13.2293 13.2297 13.2297 16.4126 16.4126 16.4137 16.4137 k = 0.1071 0.1856 0.1913 ( 1178 PWs) bands (ev): -12.1287 -12.1287 -12.1286 -12.1286 0.4650 0.4650 0.4650 0.4650 1.3919 1.3919 1.3928 1.3928 2.3628 2.3628 2.3638 2.3638 13.2128 13.2128 13.2131 13.2131 16.4363 16.4363 16.4374 16.4374 k = 0.1032 0.1787 0.1913 ( 1176 PWs) bands (ev): -12.1750 -12.1750 -12.1749 -12.1749 0.4091 0.4091 0.4091 0.4091 1.5146 1.5146 1.5156 1.5156 2.4439 2.4439 2.4449 2.4449 13.1930 13.1930 13.1934 13.1934 16.4553 16.4553 16.4564 16.4564 k = 0.0992 0.1718 0.1913 ( 1176 PWs) bands (ev): -12.2197 -12.2197 -12.2197 -12.2197 0.3533 0.3533 0.3533 0.3533 1.6382 1.6382 1.6391 1.6391 2.5231 2.5231 2.5241 2.5241 13.1706 13.1706 13.1709 13.1709 16.4701 16.4701 16.4711 16.4711 k = 0.0952 0.1650 0.1913 ( 1172 PWs) bands (ev): -12.2628 -12.2628 -12.2628 -12.2628 0.2984 0.2984 0.2984 0.2984 1.7615 1.7615 1.7623 1.7623 2.6004 2.6004 2.6013 2.6013 13.1460 13.1460 13.1463 13.1463 16.4813 16.4813 16.4822 16.4822 k = 0.0913 0.1581 0.1913 ( 1172 PWs) bands (ev): -12.3043 -12.3043 -12.3043 -12.3043 0.2450 0.2450 0.2450 0.2450 1.8839 1.8839 1.8847 1.8847 2.6754 2.6754 2.6763 2.6763 13.1197 13.1197 13.1200 13.1200 16.4899 16.4899 16.4906 16.4906 k = 0.0873 0.1512 0.1913 ( 1172 PWs) bands (ev): -12.3441 -12.3441 -12.3441 -12.3441 0.1932 0.1932 0.1932 0.1932 2.0050 2.0050 2.0058 2.0058 2.7483 2.7483 2.7491 2.7491 13.0921 13.0921 13.0924 13.0924 16.4965 16.4965 16.4971 16.4971 k = 0.0833 0.1443 0.1913 ( 1176 PWs) bands (ev): -12.3823 -12.3823 -12.3823 -12.3823 0.1433 0.1433 0.1433 0.1433 2.1242 2.1242 2.1249 2.1249 2.8188 2.8188 2.8196 2.8196 13.0636 13.0636 13.0639 13.0639 16.5022 16.5022 16.5026 16.5026 k = 0.0794 0.1375 0.1913 ( 1180 PWs) bands (ev): -12.4189 -12.4189 -12.4189 -12.4189 0.0953 0.0953 0.0953 0.0953 2.2412 2.2412 2.2419 2.2419 2.8868 2.8868 2.8876 2.8876 13.0345 13.0345 13.0347 13.0347 16.5073 16.5073 16.5077 16.5077 k = 0.0754 0.1306 0.1913 ( 1180 PWs) bands (ev): -12.4537 -12.4537 -12.4537 -12.4537 0.0494 0.0494 0.0494 0.0494 2.3557 2.3557 2.3564 2.3564 2.9523 2.9523 2.9531 2.9531 13.0051 13.0051 13.0053 13.0053 16.5125 16.5125 16.5128 16.5128 k = 0.0714 0.1237 0.1913 ( 1176 PWs) bands (ev): -12.4868 -12.4868 -12.4868 -12.4868 0.0057 0.0057 0.0057 0.0057 2.4673 2.4673 2.4679 2.4679 3.0152 3.0152 3.0159 3.0159 12.9756 12.9756 12.9758 12.9758 16.5180 16.5180 16.5183 16.5183 k = 0.0675 0.1168 0.1913 ( 1172 PWs) bands (ev): -12.5182 -12.5182 -12.5182 -12.5182 -0.0358 -0.0358 -0.0358 -0.0358 2.5758 2.5758 2.5764 2.5764 3.0753 3.0753 3.0759 3.0759 12.9464 12.9464 12.9465 12.9465 16.5242 16.5242 16.5243 16.5243 k = 0.0635 0.1100 0.1913 ( 1168 PWs) bands (ev): -12.5479 -12.5479 -12.5479 -12.5479 -0.0751 -0.0751 -0.0751 -0.0751 2.6806 2.6806 2.6811 2.6811 3.1326 3.1326 3.1332 3.1332 12.9175 12.9175 12.9176 12.9176 16.5310 16.5310 16.5311 16.5311 k = 0.0595 0.1031 0.1913 ( 1168 PWs) bands (ev): -12.5758 -12.5758 -12.5758 -12.5758 -0.1121 -0.1121 -0.1121 -0.1121 2.7814 2.7814 2.7819 2.7819 3.1868 3.1868 3.1874 3.1874 12.8892 12.8892 12.8894 12.8894 16.5385 16.5385 16.5386 16.5386 k = 0.0556 0.0962 0.1913 ( 1164 PWs) bands (ev): -12.6020 -12.6020 -12.6020 -12.6020 -0.1469 -0.1469 -0.1469 -0.1469 2.8779 2.8779 2.8784 2.8784 3.2381 3.2381 3.2387 3.2387 12.8618 12.8618 12.8619 12.8619 16.5467 16.5467 16.5468 16.5468 k = 0.0516 0.0894 0.1913 ( 1156 PWs) bands (ev): -12.6264 -12.6264 -12.6264 -12.6264 -0.1793 -0.1793 -0.1793 -0.1793 2.9699 2.9699 2.9704 2.9704 3.2863 3.2863 3.2868 3.2868 12.8353 12.8353 12.8354 12.8354 16.5557 16.5557 16.5557 16.5557 k = 0.0476 0.0825 0.1913 ( 1156 PWs) bands (ev): -12.6490 -12.6490 -12.6490 -12.6490 -0.2094 -0.2094 -0.2094 -0.2094 3.0568 3.0568 3.0572 3.0572 3.3312 3.3312 3.3316 3.3316 12.8100 12.8100 12.8101 12.8101 16.5652 16.5652 16.5652 16.5652 k = 0.0437 0.0756 0.1913 ( 1152 PWs) bands (ev): -12.6699 -12.6699 -12.6699 -12.6699 -0.2371 -0.2371 -0.2371 -0.2371 3.1384 3.1384 3.1388 3.1388 3.3728 3.3728 3.3731 3.3731 12.7860 12.7860 12.7861 12.7861 16.5751 16.5751 16.5751 16.5751 k = 0.0397 0.0687 0.1913 ( 1150 PWs) bands (ev): -12.6889 -12.6889 -12.6889 -12.6889 -0.2625 -0.2625 -0.2625 -0.2625 3.2143 3.2143 3.2146 3.2146 3.4110 3.4110 3.4113 3.4113 12.7635 12.7635 12.7635 12.7635 16.5852 16.5852 16.5852 16.5852 k = 0.0357 0.0619 0.1913 ( 1146 PWs) bands (ev): -12.7062 -12.7062 -12.7062 -12.7062 -0.2855 -0.2855 -0.2855 -0.2855 3.2841 3.2841 3.2844 3.2844 3.4458 3.4458 3.4462 3.4462 12.7426 12.7426 12.7426 12.7426 16.5953 16.5953 16.5954 16.5954 k = 0.0317 0.0550 0.1913 ( 1146 PWs) bands (ev): -12.7217 -12.7217 -12.7217 -12.7217 -0.3061 -0.3061 -0.3061 -0.3061 3.3475 3.3475 3.3478 3.3478 3.4772 3.4772 3.4775 3.4775 12.7234 12.7234 12.7234 12.7234 16.6053 16.6053 16.6053 16.6053 k = 0.0278 0.0481 0.1913 ( 1146 PWs) bands (ev): -12.7353 -12.7353 -12.7353 -12.7353 -0.3243 -0.3243 -0.3243 -0.3243 3.4043 3.4043 3.4045 3.4045 3.5050 3.5050 3.5052 3.5052 12.7061 12.7061 12.7062 12.7062 16.6148 16.6148 16.6149 16.6149 k = 0.0238 0.0412 0.1913 ( 1146 PWs) bands (ev): -12.7472 -12.7472 -12.7472 -12.7472 -0.3400 -0.3400 -0.3400 -0.3400 3.4540 3.4540 3.4542 3.4542 3.5293 3.5293 3.5295 3.5295 12.6909 12.6909 12.6909 12.6909 16.6237 16.6237 16.6237 16.6237 k = 0.0198 0.0344 0.1913 ( 1142 PWs) bands (ev): -12.7572 -12.7572 -12.7572 -12.7572 -0.3534 -0.3534 -0.3534 -0.3534 3.4966 3.4966 3.4967 3.4967 3.5500 3.5500 3.5502 3.5502 12.6778 12.6778 12.6778 12.6778 16.6317 16.6317 16.6317 16.6317 k = 0.0159 0.0275 0.1913 ( 1142 PWs) bands (ev): -12.7654 -12.7654 -12.7654 -12.7654 -0.3644 -0.3644 -0.3644 -0.3644 3.5314 3.5314 3.5315 3.5315 3.5672 3.5672 3.5674 3.5674 12.6669 12.6669 12.6669 12.6669 16.6385 16.6385 16.6386 16.6386 k = 0.0119 0.0206 0.1913 ( 1142 PWs) bands (ev): -12.7718 -12.7718 -12.7718 -12.7718 -0.3729 -0.3729 -0.3729 -0.3729 3.5582 3.5582 3.5583 3.5583 3.5812 3.5812 3.5813 3.5813 12.6583 12.6583 12.6583 12.6583 16.6440 16.6440 16.6441 16.6441 k = 0.0079 0.0137 0.1913 ( 1142 PWs) bands (ev): -12.7764 -12.7764 -12.7764 -12.7764 -0.3790 -0.3790 -0.3790 -0.3790 3.5766 3.5766 3.5766 3.5766 3.5921 3.5921 3.5921 3.5921 12.6521 12.6521 12.6521 12.6521 16.6479 16.6479 16.6479 16.6479 k = 0.0040 0.0069 0.1913 ( 1142 PWs) bands (ev): -12.7791 -12.7791 -12.7791 -12.7791 -0.3826 -0.3826 -0.3826 -0.3826 3.5865 3.5865 3.5865 3.5865 3.5998 3.5998 3.5998 3.5998 12.6484 12.6484 12.6484 12.6484 16.6494 16.6494 16.6494 16.6494 k = 0.0000 0.0000 0.1913 ( 1142 PWs) bands (ev): -12.7800 -12.7800 -12.7800 -12.7800 -0.3838 -0.3838 -0.3838 -0.3838 3.5895 3.5895 3.5895 3.5895 3.6026 3.6026 3.6026 3.6026 12.6472 12.6472 12.6472 12.6472 16.6486 16.6486 16.6486 16.6486 k = 0.5000 0.2887 0.1913 ( 1180 PWs) bands (ev): -9.6854 -9.6854 -9.6854 -9.6854 -4.0026 -4.0026 -4.0026 -4.0026 0.7738 0.7738 0.7738 0.7738 4.0002 4.0002 4.0002 4.0002 9.6069 9.6069 9.6069 9.6069 15.0472 15.0472 15.0472 15.0472 k = 0.5000 0.2887 0.1837 ( 1176 PWs) bands (ev): -9.6884 -9.6884 -9.6824 -9.6824 -4.0097 -4.0097 -3.9953 -3.9953 0.7716 0.7716 0.7762 0.7762 3.9969 3.9969 4.0029 4.0029 9.5677 9.5677 9.6488 9.6488 15.0264 15.0264 15.0658 15.0658 k = 0.5000 0.2887 0.1760 ( 1176 PWs) bands (ev): -9.6913 -9.6913 -9.6794 -9.6794 -4.0168 -4.0168 -3.9881 -3.9881 0.7692 0.7692 0.7785 0.7785 3.9929 3.9929 4.0048 4.0048 9.5314 9.5314 9.6935 9.6935 15.0032 15.0032 15.0821 15.0821 k = 0.5000 0.2887 0.1684 ( 1176 PWs) bands (ev): -9.6943 -9.6943 -9.6765 -9.6765 -4.0237 -4.0237 -3.9808 -3.9808 0.7670 0.7670 0.7808 0.7808 3.9882 3.9882 4.0061 4.0061 9.4980 9.4980 9.7408 9.7408 14.9779 14.9779 15.0962 15.0962 k = 0.5000 0.2887 0.1607 ( 1178 PWs) bands (ev): -9.6972 -9.6972 -9.6736 -9.6736 -4.0305 -4.0305 -3.9736 -3.9736 0.7647 0.7647 0.7831 0.7831 3.9830 3.9830 4.0067 4.0067 9.4674 9.4674 9.7906 9.7906 14.9503 14.9503 15.1080 15.1080 k = 0.5000 0.2887 0.1531 ( 1178 PWs) bands (ev): -9.7000 -9.7000 -9.6707 -9.6707 -4.0370 -4.0370 -3.9664 -3.9664 0.7624 0.7624 0.7853 0.7853 3.9773 3.9773 4.0065 4.0065 9.4397 9.4397 9.8426 9.8426 14.9206 14.9206 15.1176 15.1176 k = 0.5000 0.2887 0.1454 ( 1178 PWs) bands (ev): -9.7029 -9.7029 -9.6679 -9.6679 -4.0434 -4.0434 -3.9593 -3.9593 0.7603 0.7603 0.7875 0.7875 3.9711 3.9711 4.0058 4.0058 9.4148 9.4148 9.8967 9.8967 14.8889 14.8889 15.1252 15.1252 k = 0.5000 0.2887 0.1377 ( 1178 PWs) bands (ev): -9.7056 -9.7056 -9.6652 -9.6652 -4.0496 -4.0496 -3.9523 -3.9523 0.7581 0.7581 0.7896 0.7896 3.9646 3.9646 4.0044 4.0044 9.3925 9.3925 9.9525 9.9525 14.8553 14.8553 15.1308 15.1308 k = 0.5000 0.2887 0.1301 ( 1174 PWs) bands (ev): -9.7083 -9.7083 -9.6625 -9.6625 -4.0555 -4.0555 -3.9455 -3.9455 0.7560 0.7560 0.7918 0.7918 3.9579 3.9579 4.0026 4.0026 9.3729 9.3729 10.0099 10.0099 14.8198 14.8198 15.1345 15.1345 k = 0.5000 0.2887 0.1224 ( 1174 PWs) bands (ev): -9.7108 -9.7108 -9.6600 -9.6600 -4.0612 -4.0612 -3.9388 -3.9388 0.7540 0.7540 0.7938 0.7938 3.9509 3.9509 4.0002 4.0002 9.3557 9.3557 10.0684 10.0684 14.7829 14.7829 15.1364 15.1364 k = 0.5000 0.2887 0.1148 ( 1174 PWs) bands (ev): -9.7133 -9.7133 -9.6575 -9.6575 -4.0666 -4.0666 -3.9324 -3.9324 0.7521 0.7521 0.7957 0.7957 3.9437 3.9437 3.9973 3.9973 9.3407 9.3407 10.1277 10.1277 14.7446 14.7446 15.1368 15.1368 k = 0.5000 0.2887 0.1071 ( 1174 PWs) bands (ev): -9.7157 -9.7157 -9.6552 -9.6552 -4.0718 -4.0718 -3.9262 -3.9262 0.7503 0.7503 0.7976 0.7976 3.9366 3.9366 3.9941 3.9941 9.3279 9.3279 10.1873 10.1873 14.7051 14.7051 15.1358 15.1358 k = 0.5000 0.2887 0.0995 ( 1182 PWs) bands (ev): -9.7179 -9.7179 -9.6529 -9.6529 -4.0767 -4.0767 -3.9203 -3.9203 0.7485 0.7485 0.7993 0.7993 3.9293 3.9293 3.9906 3.9906 9.3171 9.3171 10.2468 10.2468 14.6649 14.6649 15.1335 15.1335 k = 0.5000 0.2887 0.0918 ( 1182 PWs) bands (ev): -9.7200 -9.7200 -9.6508 -9.6508 -4.0812 -4.0812 -3.9147 -3.9147 0.7469 0.7469 0.8010 0.8010 3.9223 3.9223 3.9870 3.9870 9.3080 9.3080 10.3057 10.3057 14.6243 14.6243 15.1303 15.1303 k = 0.5000 0.2887 0.0842 ( 1184 PWs) bands (ev): -9.7220 -9.7220 -9.6489 -9.6489 -4.0855 -4.0855 -3.9094 -3.9094 0.7453 0.7453 0.8026 0.8026 3.9154 3.9154 3.9832 3.9832 9.3006 9.3006 10.3633 10.3633 14.5838 14.5838 15.1263 15.1263 k = 0.5000 0.2887 0.0765 ( 1182 PWs) bands (ev): -9.7239 -9.7239 -9.6471 -9.6471 -4.0894 -4.0894 -3.9044 -3.9044 0.7439 0.7439 0.8040 0.8040 3.9089 3.9089 3.9795 3.9795 9.2946 9.2946 10.4192 10.4192 14.5437 14.5437 15.1216 15.1216 k = 0.5000 0.2887 0.0689 ( 1186 PWs) bands (ev): -9.7255 -9.7255 -9.6454 -9.6454 -4.0929 -4.0929 -3.8999 -3.8999 0.7426 0.7426 0.8053 0.8053 3.9028 3.9028 3.9758 3.9758 9.2898 9.2898 10.4727 10.4727 14.5047 14.5047 15.1166 15.1166 k = 0.5000 0.2887 0.0612 ( 1190 PWs) bands (ev): -9.7271 -9.7271 -9.6439 -9.6439 -4.0962 -4.0962 -3.8957 -3.8957 0.7414 0.7414 0.8065 0.8065 3.8971 3.8971 3.9722 3.9722 9.2861 9.2861 10.5231 10.5231 14.4673 14.4673 15.1115 15.1115 k = 0.5000 0.2887 0.0536 ( 1186 PWs) bands (ev): -9.7284 -9.7284 -9.6425 -9.6425 -4.0990 -4.0990 -3.8920 -3.8920 0.7404 0.7404 0.8075 0.8075 3.8920 3.8920 3.9689 3.9689 9.2833 9.2833 10.5698 10.5698 14.4322 14.4322 15.1064 15.1064 k = 0.5000 0.2887 0.0459 ( 1186 PWs) bands (ev): -9.7296 -9.7296 -9.6414 -9.6414 -4.1015 -4.1015 -3.8888 -3.8888 0.7395 0.7395 0.8085 0.8085 3.8874 3.8874 3.9659 3.9659 9.2812 9.2812 10.6120 10.6120 14.4000 14.4000 15.1016 15.1016 k = 0.5000 0.2887 0.0383 ( 1186 PWs) bands (ev): -9.7306 -9.7306 -9.6404 -9.6404 -4.1036 -4.1036 -3.8860 -3.8860 0.7387 0.7387 0.8093 0.8093 3.8834 3.8834 3.9632 3.9632 9.2796 9.2796 10.6491 10.6491 14.3713 14.3713 15.0971 15.0971 k = 0.5000 0.2887 0.0306 ( 1186 PWs) bands (ev): -9.7315 -9.7315 -9.6395 -9.6395 -4.1053 -4.1053 -3.8837 -3.8837 0.7381 0.7381 0.8099 0.8099 3.8801 3.8801 3.9609 3.9609 9.2786 9.2786 10.6805 10.6805 14.3469 14.3469 15.0933 15.0933 k = 0.5000 0.2887 0.0230 ( 1190 PWs) bands (ev): -9.7321 -9.7321 -9.6389 -9.6389 -4.1066 -4.1066 -3.8819 -3.8819 0.7376 0.7376 0.8104 0.8104 3.8775 3.8775 3.9590 3.9590 9.2778 9.2778 10.7056 10.7056 14.3272 14.3272 15.0901 15.0901 k = 0.5000 0.2887 0.0153 ( 1188 PWs) bands (ev): -9.7326 -9.7326 -9.6384 -9.6384 -4.1076 -4.1076 -3.8806 -3.8806 0.7372 0.7372 0.8108 0.8108 3.8757 3.8757 3.9577 3.9577 9.2773 9.2773 10.7239 10.7239 14.3128 14.3128 15.0878 15.0878 k = 0.5000 0.2887 0.0077 ( 1192 PWs) bands (ev): -9.7329 -9.7329 -9.6381 -9.6381 -4.1082 -4.1082 -3.8798 -3.8798 0.7370 0.7370 0.8110 0.8110 3.8745 3.8745 3.9568 3.9568 9.2770 9.2770 10.7350 10.7350 14.3040 14.3040 15.0864 15.0864 k = 0.5000 0.2887-0.0000 ( 1184 PWs) bands (ev): -9.7329 -9.7329 -9.6380 -9.6380 -4.1084 -4.1084 -3.8795 -3.8795 0.7369 0.7369 0.8112 0.8112 3.8742 3.8742 3.9566 3.9566 9.2770 9.2770 10.7387 10.7387 14.3011 14.3011 15.0859 15.0859 k = 0.3333 0.5774-0.0000 ( 1197 PWs) bands (ev): -9.1007 -9.1007 -9.1001 -9.1001 -3.0255 -3.0255 -3.0203 -3.0203 -2.4164 -2.4164 -2.1043 -2.1043 4.8845 4.8845 4.8845 4.8845 8.5003 8.5003 11.0157 11.0157 17.2358 17.2358 17.8275 17.8276 k = 0.3333 0.5774 0.0077 ( 1197 PWs) bands (ev): -9.1007 -9.1007 -9.1001 -9.1001 -3.0255 -3.0255 -3.0203 -3.0203 -2.4161 -2.4161 -2.1046 -2.1046 4.8846 4.8846 4.8846 4.8846 8.5022 8.5022 11.0120 11.0120 17.2408 17.2408 17.8229 17.8229 k = 0.3333 0.5774 0.0153 ( 1194 PWs) bands (ev): -9.1007 -9.1007 -9.1001 -9.1001 -3.0255 -3.0255 -3.0204 -3.0204 -2.4153 -2.4153 -2.1055 -2.1055 4.8850 4.8850 4.8850 4.8850 8.5078 8.5078 11.0009 11.0009 17.2558 17.2558 17.8093 17.8093 k = 0.3333 0.5774 0.0230 ( 1194 PWs) bands (ev): -9.1007 -9.1007 -9.1001 -9.1001 -3.0256 -3.0256 -3.0204 -3.0204 -2.4138 -2.4138 -2.1072 -2.1072 4.8855 4.8855 4.8855 4.8855 8.5171 8.5171 10.9825 10.9825 17.2806 17.2806 17.7874 17.7875 k = 0.3333 0.5774 0.0306 ( 1197 PWs) bands (ev): -9.1007 -9.1007 -9.1001 -9.1001 -3.0258 -3.0258 -3.0206 -3.0206 -2.4119 -2.4119 -2.1095 -2.1095 4.8862 4.8862 4.8862 4.8862 8.5301 8.5301 10.9572 10.9572 17.3151 17.3151 17.7583 17.7583 k = 0.3333 0.5774 0.0383 ( 1197 PWs) bands (ev): -9.1006 -9.1006 -9.1001 -9.1001 -3.0259 -3.0259 -3.0207 -3.0207 -2.4093 -2.4093 -2.1124 -2.1124 4.8871 4.8871 4.8871 4.8871 8.5469 8.5469 10.9251 10.9251 17.3588 17.3588 17.7230 17.7230 k = 0.3333 0.5774 0.0459 ( 1197 PWs) bands (ev): -9.1006 -9.1006 -9.1000 -9.1000 -3.0261 -3.0261 -3.0209 -3.0209 -2.4062 -2.4062 -2.1160 -2.1160 4.8882 4.8882 4.8882 4.8882 8.5672 8.5672 10.8866 10.8866 17.4113 17.4113 17.6830 17.6830 k = 0.3333 0.5774 0.0536 ( 1197 PWs) bands (ev): -9.1006 -9.1006 -9.1000 -9.1000 -3.0263 -3.0263 -3.0211 -3.0211 -2.4025 -2.4025 -2.1202 -2.1202 4.8894 4.8894 4.8894 4.8894 8.5912 8.5912 10.8423 10.8423 17.4723 17.4723 17.6395 17.6395 k = 0.3333 0.5774 0.0612 ( 1197 PWs) bands (ev): -9.1006 -9.1006 -9.1000 -9.1000 -3.0265 -3.0265 -3.0213 -3.0213 -2.3984 -2.3984 -2.1249 -2.1249 4.8908 4.8908 4.8908 4.8908 8.6188 8.6188 10.7924 10.7924 17.5411 17.5411 17.5935 17.5935 k = 0.3333 0.5774 0.0689 ( 1197 PWs) bands (ev): -9.1005 -9.1005 -9.1000 -9.1000 -3.0268 -3.0268 -3.0216 -3.0216 -2.3937 -2.3937 -2.1302 -2.1302 4.8923 4.8923 4.8923 4.8923 8.6499 8.6499 10.7375 10.7375 17.5462 17.5462 17.5462 17.5462 k = 0.3333 0.5774 0.0765 ( 1197 PWs) bands (ev): -9.1005 -9.1005 -9.0999 -9.0999 -3.0270 -3.0270 -3.0218 -3.0218 -2.3885 -2.3885 -2.1361 -2.1361 4.8939 4.8939 4.8940 4.8940 8.6844 8.6844 10.6782 10.6782 17.4985 17.4985 17.4985 17.4985 k = 0.3333 0.5774 0.0842 ( 1191 PWs) bands (ev): -9.1005 -9.1005 -9.0999 -9.0999 -3.0273 -3.0273 -3.0221 -3.0221 -2.3828 -2.3828 -2.1424 -2.1424 4.8958 4.8958 4.8958 4.8958 8.7223 8.7223 10.6149 10.6149 17.4511 17.4511 17.4511 17.4511 k = 0.3333 0.5774 0.0918 ( 1185 PWs) bands (ev): -9.1005 -9.1005 -9.0999 -9.0999 -3.0276 -3.0276 -3.0224 -3.0224 -2.3766 -2.3766 -2.1492 -2.1492 4.8976 4.8976 4.8976 4.8976 8.7636 8.7636 10.5480 10.5480 17.4048 17.4048 17.4048 17.4048 k = 0.3333 0.5774 0.0995 ( 1185 PWs) bands (ev): -9.1004 -9.1004 -9.0999 -9.0999 -3.0279 -3.0279 -3.0227 -3.0227 -2.3700 -2.3700 -2.1565 -2.1565 4.8993 4.8993 4.8993 4.8993 8.8080 8.8080 10.4782 10.4782 17.3600 17.3600 17.3600 17.3600 k = 0.3333 0.5774 0.1071 ( 1191 PWs) bands (ev): -9.1004 -9.1004 -9.0998 -9.0998 -3.0282 -3.0282 -3.0230 -3.0230 -2.3631 -2.3631 -2.1642 -2.1642 4.9009 4.9009 4.9009 4.9009 8.8557 8.8557 10.4057 10.4057 17.3174 17.3174 17.3174 17.3174 k = 0.3333 0.5774 0.1148 ( 1188 PWs) bands (ev): -9.1004 -9.1004 -9.0998 -9.0998 -3.0284 -3.0284 -3.0232 -3.0232 -2.3556 -2.3556 -2.1723 -2.1723 4.9026 4.9026 4.9026 4.9026 8.9064 8.9064 10.3313 10.3313 17.2773 17.2773 17.2773 17.2773 k = 0.3333 0.5774 0.1224 ( 1188 PWs) bands (ev): -9.1003 -9.1003 -9.0998 -9.0998 -3.0287 -3.0287 -3.0235 -3.0235 -2.3478 -2.3478 -2.1807 -2.1807 4.9042 4.9042 4.9042 4.9042 8.9600 8.9600 10.2551 10.2551 17.2400 17.2400 17.2400 17.2400 k = 0.3333 0.5774 0.1301 ( 1188 PWs) bands (ev): -9.1003 -9.1003 -9.0997 -9.0997 -3.0289 -3.0289 -3.0237 -3.0237 -2.3397 -2.3397 -2.1895 -2.1895 4.9057 4.9057 4.9057 4.9057 9.0165 9.0165 10.1777 10.1777 17.2060 17.2060 17.2060 17.2060 k = 0.3333 0.5774 0.1377 ( 1188 PWs) bands (ev): -9.1003 -9.1003 -9.0997 -9.0997 -3.0292 -3.0292 -3.0240 -3.0240 -2.3312 -2.3312 -2.1985 -2.1985 4.9071 4.9071 4.9072 4.9072 9.0757 9.0757 10.0995 10.0995 17.1754 17.1754 17.1754 17.1754 k = 0.3333 0.5774 0.1454 ( 1197 PWs) bands (ev): -9.1003 -9.1003 -9.0997 -9.0997 -3.0294 -3.0294 -3.0242 -3.0242 -2.3225 -2.3225 -2.2078 -2.2078 4.9084 4.9084 4.9084 4.9084 9.1375 9.1375 10.0207 10.0207 17.1484 17.1484 17.1485 17.1485 k = 0.3333 0.5774 0.1531 ( 1209 PWs) bands (ev): -9.1003 -9.1003 -9.0997 -9.0997 -3.0296 -3.0296 -3.0244 -3.0244 -2.3137 -2.3137 -2.2173 -2.2173 4.9093 4.9093 4.9093 4.9093 9.2018 9.2018 9.9417 9.9417 17.1253 17.1253 17.1253 17.1253 k = 0.3333 0.5774 0.1607 ( 1209 PWs) bands (ev): -9.1002 -9.1002 -9.0997 -9.0997 -3.0298 -3.0298 -3.0246 -3.0246 -2.3045 -2.3045 -2.2268 -2.2268 4.9103 4.9103 4.9103 4.9103 9.2683 9.2683 9.8629 9.8629 17.1062 17.1062 17.1063 17.1063 k = 0.3333 0.5774 0.1684 ( 1206 PWs) bands (ev): -9.1002 -9.1002 -9.0997 -9.0997 -3.0299 -3.0299 -3.0247 -3.0247 -2.2952 -2.2952 -2.2364 -2.2364 4.9111 4.9111 4.9111 4.9111 9.3371 9.3371 9.7845 9.7845 17.0913 17.0913 17.0913 17.0913 k = 0.3333 0.5774 0.1760 ( 1206 PWs) bands (ev): -9.1002 -9.1002 -9.0996 -9.0996 -3.0300 -3.0300 -3.0248 -3.0248 -2.2857 -2.2857 -2.2461 -2.2461 4.9116 4.9116 4.9116 4.9116 9.4078 9.4078 9.7068 9.7068 17.0805 17.0805 17.0806 17.0806 k = 0.3333 0.5774 0.1837 ( 1206 PWs) bands (ev): -9.1002 -9.1002 -9.0996 -9.0996 -3.0300 -3.0300 -3.0248 -3.0248 -2.2763 -2.2763 -2.2557 -2.2557 4.9119 4.9119 4.9119 4.9119 9.4803 9.4803 9.6300 9.6300 17.0740 17.0740 17.0741 17.0741 k = 0.3333 0.5774 0.1913 ( 1212 PWs) bands (ev): -9.1002 -9.1002 -9.0996 -9.0996 -3.0301 -3.0301 -3.0249 -3.0249 -2.2692 -2.2692 -2.2628 -2.2628 4.9120 4.9120 4.9120 4.9120 9.5544 9.5544 9.5546 9.5546 17.0719 17.0719 17.0719 17.0719 Writing output data file BN.save init_run : 0.22s CPU 0.76s WALL ( 1 calls) electrons : 43.58s CPU 48.49s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.20s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 43.56s CPU 48.48s 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 : 0.01s CPU 0.03s WALL ( 482 calls) cegterg : 40.29s CPU 41.25s WALL ( 626 calls) Called by sum_band: Called by *egterg: h_psi : 17.59s CPU 18.04s WALL ( 9282 calls) s_psi : 0.36s CPU 0.42s WALL ( 9282 calls) g_psi : 0.03s CPU 0.04s WALL ( 8174 calls) cdiaghg : 21.72s CPU 22.12s WALL ( 8656 calls) cegterg:over : 1.12s CPU 1.24s WALL ( 8174 calls) cegterg:upda : 0.98s CPU 0.95s WALL ( 8174 calls) cegterg:last : 0.39s CPU 0.46s WALL ( 1533 calls) cdiaghg:chol : 1.20s CPU 1.14s WALL ( 8656 calls) cdiaghg:inve : 0.42s CPU 0.36s WALL ( 8656 calls) cdiaghg:para : 1.38s CPU 1.45s WALL ( 17312 calls) Called by h_psi: h_psi:vloc : 16.12s CPU 16.57s WALL ( 9282 calls) h_psi:vnl : 1.44s CPU 1.43s WALL ( 9282 calls) add_vuspsi : 0.50s CPU 0.54s WALL ( 9282 calls) General routines calbec : 0.93s CPU 0.87s WALL ( 9282 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 15.19s CPU 15.69s WALL ( 478720 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.09s CPU 0.10s WALL ( 964 calls) Parallel routines fft_scatter : 8.18s CPU 8.50s WALL ( 478743 calls) PWSCF : 0m51.19s CPU 1m41.65s WALL This run was terminated on: 15:45:35 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=