Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 15:43:47 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BN.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 14 7 2 853 331 58 Max 16 8 3 860 352 73 Sum 511 271 85 30817 12157 2271 bravais-lattice index = 14 lattice parameter (alat) = 4.7564 a.u. unit-cell volume = 310.8979 (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)= 4.756440 celldm(2)= 1.000000 celldm(3)= 3.336114 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 3.336114 ) 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 0.299750 ) 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 ) ( 1.6680572 ) 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 ) ( 1.6680572 ) 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 ) ( 1.6680572 ) 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 ) ( 1.6680572 ) 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 ) ( 1.6680572 ) 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 ) ( 1.6680572 ) 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 ) ( 1.6680572 ) 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 ) ( 1.6680572 ) 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 ) ( 1.6680572 ) 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 ) ( 1.6680572 ) 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 ) ( 1.6680572 ) 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 ) ( 1.6680572 ) 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= 464 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021552 k( 2) = ( 0.0068493 0.0039545 -0.0000000), wk = 0.0021552 k( 3) = ( 0.0136986 0.0079089 -0.0000000), wk = 0.0021552 k( 4) = ( 0.0205479 0.0118634 -0.0000000), wk = 0.0021552 k( 5) = ( 0.0273973 0.0158178 -0.0000000), wk = 0.0021552 k( 6) = ( 0.0342466 0.0197723 -0.0000000), wk = 0.0021552 k( 7) = ( 0.0410959 0.0237267 -0.0000000), wk = 0.0021552 k( 8) = ( 0.0479452 0.0276812 -0.0000000), wk = 0.0021552 k( 9) = ( 0.0547945 0.0316356 -0.0000000), wk = 0.0021552 k( 10) = ( 0.0616438 0.0355901 -0.0000000), wk = 0.0021552 k( 11) = ( 0.0684932 0.0395445 -0.0000000), wk = 0.0021552 k( 12) = ( 0.0753425 0.0434990 -0.0000000), wk = 0.0021552 k( 13) = ( 0.0821918 0.0474534 -0.0000000), wk = 0.0021552 k( 14) = ( 0.0890411 0.0514079 -0.0000000), wk = 0.0021552 k( 15) = ( 0.0958904 0.0553624 -0.0000000), wk = 0.0021552 k( 16) = ( 0.1027397 0.0593168 -0.0000000), wk = 0.0021552 k( 17) = ( 0.1095890 0.0632713 -0.0000000), wk = 0.0021552 k( 18) = ( 0.1164384 0.0672257 -0.0000000), wk = 0.0021552 k( 19) = ( 0.1232877 0.0711802 -0.0000000), wk = 0.0021552 k( 20) = ( 0.1301370 0.0751346 -0.0000000), wk = 0.0021552 k( 21) = ( 0.1369863 0.0790891 -0.0000000), wk = 0.0021552 k( 22) = ( 0.1438356 0.0830435 -0.0000000), wk = 0.0021552 k( 23) = ( 0.1506849 0.0869980 -0.0000000), wk = 0.0021552 k( 24) = ( 0.1575342 0.0909524 -0.0000000), wk = 0.0021552 k( 25) = ( 0.1643836 0.0949069 -0.0000000), wk = 0.0021552 k( 26) = ( 0.1712329 0.0988613 -0.0000000), wk = 0.0021552 k( 27) = ( 0.1780822 0.1028158 -0.0000000), wk = 0.0021552 k( 28) = ( 0.1849315 0.1067703 -0.0000000), wk = 0.0021552 k( 29) = ( 0.1917808 0.1107247 -0.0000000), wk = 0.0021552 k( 30) = ( 0.1986301 0.1146792 -0.0000000), wk = 0.0021552 k( 31) = ( 0.2054795 0.1186336 -0.0000000), wk = 0.0021552 k( 32) = ( 0.2123288 0.1225881 -0.0000000), wk = 0.0021552 k( 33) = ( 0.2191781 0.1265425 -0.0000000), wk = 0.0021552 k( 34) = ( 0.2260274 0.1304970 -0.0000000), wk = 0.0021552 k( 35) = ( 0.2328767 0.1344514 -0.0000000), wk = 0.0021552 k( 36) = ( 0.2397260 0.1384059 -0.0000000), wk = 0.0021552 k( 37) = ( 0.2465753 0.1423603 -0.0000000), wk = 0.0021552 k( 38) = ( 0.2534247 0.1463148 -0.0000000), wk = 0.0021552 k( 39) = ( 0.2602740 0.1502692 -0.0000000), wk = 0.0021552 k( 40) = ( 0.2671233 0.1542237 -0.0000000), wk = 0.0021552 k( 41) = ( 0.2739726 0.1581782 -0.0000000), wk = 0.0021552 k( 42) = ( 0.2808219 0.1621326 -0.0000000), wk = 0.0021552 k( 43) = ( 0.2876712 0.1660871 -0.0000000), wk = 0.0021552 k( 44) = ( 0.2945205 0.1700415 -0.0000000), wk = 0.0021552 k( 45) = ( 0.3013699 0.1739960 -0.0000000), wk = 0.0021552 k( 46) = ( 0.3082192 0.1779504 -0.0000000), wk = 0.0021552 k( 47) = ( 0.3150685 0.1819049 -0.0000000), wk = 0.0021552 k( 48) = ( 0.3219178 0.1858593 -0.0000000), wk = 0.0021552 k( 49) = ( 0.3287671 0.1898138 -0.0000000), wk = 0.0021552 k( 50) = ( 0.3356164 0.1937682 -0.0000000), wk = 0.0021552 k( 51) = ( 0.3424658 0.1977227 -0.0000000), wk = 0.0021552 k( 52) = ( 0.3493151 0.2016771 -0.0000000), wk = 0.0021552 k( 53) = ( 0.3561644 0.2056316 -0.0000000), wk = 0.0021552 k( 54) = ( 0.3630137 0.2095861 -0.0000000), wk = 0.0021552 k( 55) = ( 0.3698630 0.2135405 -0.0000000), wk = 0.0021552 k( 56) = ( 0.3767123 0.2174950 -0.0000000), wk = 0.0021552 k( 57) = ( 0.3835616 0.2214494 -0.0000000), wk = 0.0021552 k( 58) = ( 0.3904110 0.2254039 -0.0000000), wk = 0.0021552 k( 59) = ( 0.3972603 0.2293583 -0.0000000), wk = 0.0021552 k( 60) = ( 0.4041096 0.2333128 -0.0000000), wk = 0.0021552 k( 61) = ( 0.4109589 0.2372672 -0.0000000), wk = 0.0021552 k( 62) = ( 0.4178082 0.2412217 -0.0000000), wk = 0.0021552 k( 63) = ( 0.4246575 0.2451761 -0.0000000), wk = 0.0021552 k( 64) = ( 0.4315068 0.2491306 -0.0000000), wk = 0.0021552 k( 65) = ( 0.4383562 0.2530850 -0.0000000), wk = 0.0021552 k( 66) = ( 0.4452055 0.2570395 -0.0000000), wk = 0.0021552 k( 67) = ( 0.4520548 0.2609940 -0.0000000), wk = 0.0021552 k( 68) = ( 0.4589041 0.2649484 -0.0000000), wk = 0.0021552 k( 69) = ( 0.4657534 0.2689029 -0.0000000), wk = 0.0021552 k( 70) = ( 0.4726027 0.2728573 -0.0000000), wk = 0.0021552 k( 71) = ( 0.4794521 0.2768118 -0.0000000), wk = 0.0021552 k( 72) = ( 0.4863014 0.2807662 -0.0000000), wk = 0.0021552 k( 73) = ( 0.4931507 0.2847207 -0.0000000), wk = 0.0021552 k( 74) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0021552 k( 75) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0021552 k( 76) = ( 0.4960317 0.2955484 -0.0000000), wk = 0.0021552 k( 77) = ( 0.4920635 0.3024216 -0.0000000), wk = 0.0021552 k( 78) = ( 0.4880952 0.3092948 -0.0000000), wk = 0.0021552 k( 79) = ( 0.4841270 0.3161680 -0.0000000), wk = 0.0021552 k( 80) = ( 0.4801587 0.3230412 -0.0000000), wk = 0.0021552 k( 81) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0021552 k( 82) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0021552 k( 83) = ( 0.4682540 0.3436609 -0.0000000), wk = 0.0021552 k( 84) = ( 0.4642857 0.3505341 -0.0000000), wk = 0.0021552 k( 85) = ( 0.4603175 0.3574073 -0.0000000), wk = 0.0021552 k( 86) = ( 0.4563492 0.3642805 -0.0000000), wk = 0.0021552 k( 87) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0021552 k( 88) = ( 0.4484127 0.3780270 -0.0000000), wk = 0.0021552 k( 89) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0021552 k( 90) = ( 0.4404762 0.3917734 -0.0000000), wk = 0.0021552 k( 91) = ( 0.4365079 0.3986466 -0.0000000), wk = 0.0021552 k( 92) = ( 0.4325397 0.4055198 -0.0000000), wk = 0.0021552 k( 93) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0021552 k( 94) = ( 0.4246032 0.4192663 -0.0000000), wk = 0.0021552 k( 95) = ( 0.4206349 0.4261395 -0.0000000), wk = 0.0021552 k( 96) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0021552 k( 97) = ( 0.4126984 0.4398859 -0.0000000), wk = 0.0021552 k( 98) = ( 0.4087302 0.4467591 -0.0000000), wk = 0.0021552 k( 99) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0021552 k( 100) = ( 0.4007937 0.4605056 -0.0000000), wk = 0.0021552 k( 101) = ( 0.3968254 0.4673788 -0.0000000), wk = 0.0021552 k( 102) = ( 0.3928571 0.4742520 -0.0000000), wk = 0.0021552 k( 103) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0021552 k( 104) = ( 0.3849206 0.4879984 -0.0000000), wk = 0.0021552 k( 105) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0021552 k( 106) = ( 0.3769841 0.5017449 -0.0000000), wk = 0.0021552 k( 107) = ( 0.3730159 0.5086181 -0.0000000), wk = 0.0021552 k( 108) = ( 0.3690476 0.5154913 -0.0000000), wk = 0.0021552 k( 109) = ( 0.3650794 0.5223645 -0.0000000), wk = 0.0021552 k( 110) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0021552 k( 111) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0021552 k( 112) = ( 0.3531746 0.5429842 -0.0000000), wk = 0.0021552 k( 113) = ( 0.3492063 0.5498574 -0.0000000), wk = 0.0021552 k( 114) = ( 0.3452381 0.5567306 -0.0000000), wk = 0.0021552 k( 115) = ( 0.3412698 0.5636038 -0.0000000), wk = 0.0021552 k( 116) = ( 0.3373016 0.5704771 -0.0000000), wk = 0.0021552 k( 117) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0021552 k( 118) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0021552 k( 119) = ( 0.3293651 0.5704771 -0.0000000), wk = 0.0021552 k( 120) = ( 0.3253968 0.5636038 -0.0000000), wk = 0.0021552 k( 121) = ( 0.3214286 0.5567306 -0.0000000), wk = 0.0021552 k( 122) = ( 0.3174603 0.5498574 -0.0000000), wk = 0.0021552 k( 123) = ( 0.3134921 0.5429842 -0.0000000), wk = 0.0021552 k( 124) = ( 0.3095238 0.5361110 -0.0000000), wk = 0.0021552 k( 125) = ( 0.3055556 0.5292378 -0.0000000), wk = 0.0021552 k( 126) = ( 0.3015873 0.5223645 -0.0000000), wk = 0.0021552 k( 127) = ( 0.2976190 0.5154913 -0.0000000), wk = 0.0021552 k( 128) = ( 0.2936508 0.5086181 -0.0000000), wk = 0.0021552 k( 129) = ( 0.2896825 0.5017449 -0.0000000), wk = 0.0021552 k( 130) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0021552 k( 131) = ( 0.2817460 0.4879984 -0.0000000), wk = 0.0021552 k( 132) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0021552 k( 133) = ( 0.2738095 0.4742520 -0.0000000), wk = 0.0021552 k( 134) = ( 0.2698413 0.4673788 -0.0000000), wk = 0.0021552 k( 135) = ( 0.2658730 0.4605056 -0.0000000), wk = 0.0021552 k( 136) = ( 0.2619048 0.4536324 -0.0000000), wk = 0.0021552 k( 137) = ( 0.2579365 0.4467591 -0.0000000), wk = 0.0021552 k( 138) = ( 0.2539683 0.4398859 -0.0000000), wk = 0.0021552 k( 139) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0021552 k( 140) = ( 0.2460317 0.4261395 -0.0000000), wk = 0.0021552 k( 141) = ( 0.2420635 0.4192663 -0.0000000), wk = 0.0021552 k( 142) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0021552 k( 143) = ( 0.2341270 0.4055198 -0.0000000), wk = 0.0021552 k( 144) = ( 0.2301587 0.3986466 -0.0000000), wk = 0.0021552 k( 145) = ( 0.2261905 0.3917734 -0.0000000), wk = 0.0021552 k( 146) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0021552 k( 147) = ( 0.2182540 0.3780270 -0.0000000), wk = 0.0021552 k( 148) = ( 0.2142857 0.3711537 -0.0000000), wk = 0.0021552 k( 149) = ( 0.2103175 0.3642805 -0.0000000), wk = 0.0021552 k( 150) = ( 0.2063492 0.3574073 -0.0000000), wk = 0.0021552 k( 151) = ( 0.2023810 0.3505341 -0.0000000), wk = 0.0021552 k( 152) = ( 0.1984127 0.3436609 -0.0000000), wk = 0.0021552 k( 153) = ( 0.1944444 0.3367876 -0.0000000), wk = 0.0021552 k( 154) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0021552 k( 155) = ( 0.1865079 0.3230412 -0.0000000), wk = 0.0021552 k( 156) = ( 0.1825397 0.3161680 -0.0000000), wk = 0.0021552 k( 157) = ( 0.1785714 0.3092948 -0.0000000), wk = 0.0021552 k( 158) = ( 0.1746032 0.3024216 -0.0000000), wk = 0.0021552 k( 159) = ( 0.1706349 0.2955484 -0.0000000), wk = 0.0021552 k( 160) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0021552 k( 161) = ( 0.1626984 0.2818019 -0.0000000), wk = 0.0021552 k( 162) = ( 0.1587302 0.2749287 -0.0000000), wk = 0.0021552 k( 163) = ( 0.1547619 0.2680555 -0.0000000), wk = 0.0021552 k( 164) = ( 0.1507937 0.2611823 -0.0000000), wk = 0.0021552 k( 165) = ( 0.1468254 0.2543091 -0.0000000), wk = 0.0021552 k( 166) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0021552 k( 167) = ( 0.1388889 0.2405626 -0.0000000), wk = 0.0021552 k( 168) = ( 0.1349206 0.2336894 -0.0000000), wk = 0.0021552 k( 169) = ( 0.1309524 0.2268162 -0.0000000), wk = 0.0021552 k( 170) = ( 0.1269841 0.2199430 -0.0000000), wk = 0.0021552 k( 171) = ( 0.1230159 0.2130697 -0.0000000), wk = 0.0021552 k( 172) = ( 0.1190476 0.2061965 -0.0000000), wk = 0.0021552 k( 173) = ( 0.1150794 0.1993233 -0.0000000), wk = 0.0021552 k( 174) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0021552 k( 175) = ( 0.1071429 0.1855769 -0.0000000), wk = 0.0021552 k( 176) = ( 0.1031746 0.1787036 -0.0000000), wk = 0.0021552 k( 177) = ( 0.0992063 0.1718304 -0.0000000), wk = 0.0021552 k( 178) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0021552 k( 179) = ( 0.0912698 0.1580840 -0.0000000), wk = 0.0021552 k( 180) = ( 0.0873016 0.1512108 -0.0000000), wk = 0.0021552 k( 181) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0021552 k( 182) = ( 0.0793651 0.1374644 -0.0000000), wk = 0.0021552 k( 183) = ( 0.0753968 0.1305911 -0.0000000), wk = 0.0021552 k( 184) = ( 0.0714286 0.1237179 -0.0000000), wk = 0.0021552 k( 185) = ( 0.0674603 0.1168447 -0.0000000), wk = 0.0021552 k( 186) = ( 0.0634921 0.1099715 -0.0000000), wk = 0.0021552 k( 187) = ( 0.0595238 0.1030983 -0.0000000), wk = 0.0021552 k( 188) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0021552 k( 189) = ( 0.0515873 0.0893518 -0.0000000), wk = 0.0021552 k( 190) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0021552 k( 191) = ( 0.0436508 0.0756054 -0.0000000), wk = 0.0021552 k( 192) = ( 0.0396825 0.0687322 -0.0000000), wk = 0.0021552 k( 193) = ( 0.0357143 0.0618590 -0.0000000), wk = 0.0021552 k( 194) = ( 0.0317460 0.0549857 -0.0000000), wk = 0.0021552 k( 195) = ( 0.0277778 0.0481125 -0.0000000), wk = 0.0021552 k( 196) = ( 0.0238095 0.0412393 -0.0000000), wk = 0.0021552 k( 197) = ( 0.0198413 0.0343661 -0.0000000), wk = 0.0021552 k( 198) = ( 0.0158730 0.0274929 -0.0000000), wk = 0.0021552 k( 199) = ( 0.0119048 0.0206196 -0.0000000), wk = 0.0021552 k( 200) = ( 0.0079365 0.0137464 -0.0000000), wk = 0.0021552 k( 201) = ( 0.0039683 0.0068732 -0.0000000), wk = 0.0021552 k( 202) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021552 k( 203) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021552 k( 204) = ( 0.0000000 0.0000000 0.0078882), wk = 0.0021552 k( 205) = ( 0.0000000 0.0000000 0.0157763), wk = 0.0021552 k( 206) = ( 0.0000000 0.0000000 0.0236645), wk = 0.0021552 k( 207) = ( 0.0000000 0.0000000 0.0315526), wk = 0.0021552 k( 208) = ( 0.0000000 0.0000000 0.0394408), wk = 0.0021552 k( 209) = ( 0.0000000 0.0000000 0.0473289), wk = 0.0021552 k( 210) = ( 0.0000000 0.0000000 0.0552171), wk = 0.0021552 k( 211) = ( 0.0000000 0.0000000 0.0631052), wk = 0.0021552 k( 212) = ( 0.0000000 0.0000000 0.0709934), wk = 0.0021552 k( 213) = ( 0.0000000 0.0000000 0.0788816), wk = 0.0021552 k( 214) = ( 0.0000000 0.0000000 0.0867697), wk = 0.0021552 k( 215) = ( 0.0000000 0.0000000 0.0946579), wk = 0.0021552 k( 216) = ( 0.0000000 0.0000000 0.1025460), wk = 0.0021552 k( 217) = ( 0.0000000 0.0000000 0.1104342), wk = 0.0021552 k( 218) = ( 0.0000000 0.0000000 0.1183223), wk = 0.0021552 k( 219) = ( 0.0000000 0.0000000 0.1262105), wk = 0.0021552 k( 220) = ( 0.0000000 0.0000000 0.1340986), wk = 0.0021552 k( 221) = ( 0.0000000 0.0000000 0.1419868), wk = 0.0021552 k( 222) = ( 0.0000000 0.0000000 0.1498750), wk = 0.0021552 k( 223) = ( 0.0000000 0.0000000 0.1498750), wk = 0.0021552 k( 224) = ( 0.0068493 0.0039545 0.1498750), wk = 0.0021552 k( 225) = ( 0.0136986 0.0079089 0.1498750), wk = 0.0021552 k( 226) = ( 0.0205479 0.0118634 0.1498750), wk = 0.0021552 k( 227) = ( 0.0273973 0.0158178 0.1498750), wk = 0.0021552 k( 228) = ( 0.0342466 0.0197723 0.1498750), wk = 0.0021552 k( 229) = ( 0.0410959 0.0237267 0.1498750), wk = 0.0021552 k( 230) = ( 0.0479452 0.0276812 0.1498750), wk = 0.0021552 k( 231) = ( 0.0547945 0.0316356 0.1498750), wk = 0.0021552 k( 232) = ( 0.0616438 0.0355901 0.1498750), wk = 0.0021552 k( 233) = ( 0.0684932 0.0395445 0.1498750), wk = 0.0021552 k( 234) = ( 0.0753425 0.0434990 0.1498750), wk = 0.0021552 k( 235) = ( 0.0821918 0.0474534 0.1498750), wk = 0.0021552 k( 236) = ( 0.0890411 0.0514079 0.1498750), wk = 0.0021552 k( 237) = ( 0.0958904 0.0553624 0.1498750), wk = 0.0021552 k( 238) = ( 0.1027397 0.0593168 0.1498750), wk = 0.0021552 k( 239) = ( 0.1095890 0.0632713 0.1498750), wk = 0.0021552 k( 240) = ( 0.1164384 0.0672257 0.1498750), wk = 0.0021552 k( 241) = ( 0.1232877 0.0711802 0.1498750), wk = 0.0021552 k( 242) = ( 0.1301370 0.0751346 0.1498750), wk = 0.0021552 k( 243) = ( 0.1369863 0.0790891 0.1498750), wk = 0.0021552 k( 244) = ( 0.1438356 0.0830435 0.1498750), wk = 0.0021552 k( 245) = ( 0.1506849 0.0869980 0.1498750), wk = 0.0021552 k( 246) = ( 0.1575342 0.0909524 0.1498750), wk = 0.0021552 k( 247) = ( 0.1643836 0.0949069 0.1498750), wk = 0.0021552 k( 248) = ( 0.1712329 0.0988613 0.1498750), wk = 0.0021552 k( 249) = ( 0.1780822 0.1028158 0.1498750), wk = 0.0021552 k( 250) = ( 0.1849315 0.1067703 0.1498750), wk = 0.0021552 k( 251) = ( 0.1917808 0.1107247 0.1498750), wk = 0.0021552 k( 252) = ( 0.1986301 0.1146792 0.1498750), wk = 0.0021552 k( 253) = ( 0.2054795 0.1186336 0.1498750), wk = 0.0021552 k( 254) = ( 0.2123288 0.1225881 0.1498750), wk = 0.0021552 k( 255) = ( 0.2191781 0.1265425 0.1498750), wk = 0.0021552 k( 256) = ( 0.2260274 0.1304970 0.1498750), wk = 0.0021552 k( 257) = ( 0.2328767 0.1344514 0.1498750), wk = 0.0021552 k( 258) = ( 0.2397260 0.1384059 0.1498750), wk = 0.0021552 k( 259) = ( 0.2465753 0.1423603 0.1498750), wk = 0.0021552 k( 260) = ( 0.2534247 0.1463148 0.1498750), wk = 0.0021552 k( 261) = ( 0.2602740 0.1502692 0.1498750), wk = 0.0021552 k( 262) = ( 0.2671233 0.1542237 0.1498750), wk = 0.0021552 k( 263) = ( 0.2739726 0.1581782 0.1498750), wk = 0.0021552 k( 264) = ( 0.2808219 0.1621326 0.1498750), wk = 0.0021552 k( 265) = ( 0.2876712 0.1660871 0.1498750), wk = 0.0021552 k( 266) = ( 0.2945205 0.1700415 0.1498750), wk = 0.0021552 k( 267) = ( 0.3013699 0.1739960 0.1498750), wk = 0.0021552 k( 268) = ( 0.3082192 0.1779504 0.1498750), wk = 0.0021552 k( 269) = ( 0.3150685 0.1819049 0.1498750), wk = 0.0021552 k( 270) = ( 0.3219178 0.1858593 0.1498750), wk = 0.0021552 k( 271) = ( 0.3287671 0.1898138 0.1498750), wk = 0.0021552 k( 272) = ( 0.3356164 0.1937682 0.1498750), wk = 0.0021552 k( 273) = ( 0.3424658 0.1977227 0.1498750), wk = 0.0021552 k( 274) = ( 0.3493151 0.2016771 0.1498750), wk = 0.0021552 k( 275) = ( 0.3561644 0.2056316 0.1498750), wk = 0.0021552 k( 276) = ( 0.3630137 0.2095861 0.1498750), wk = 0.0021552 k( 277) = ( 0.3698630 0.2135405 0.1498750), wk = 0.0021552 k( 278) = ( 0.3767123 0.2174950 0.1498750), wk = 0.0021552 k( 279) = ( 0.3835616 0.2214494 0.1498750), wk = 0.0021552 k( 280) = ( 0.3904110 0.2254039 0.1498750), wk = 0.0021552 k( 281) = ( 0.3972603 0.2293583 0.1498750), wk = 0.0021552 k( 282) = ( 0.4041096 0.2333128 0.1498750), wk = 0.0021552 k( 283) = ( 0.4109589 0.2372672 0.1498750), wk = 0.0021552 k( 284) = ( 0.4178082 0.2412217 0.1498750), wk = 0.0021552 k( 285) = ( 0.4246575 0.2451761 0.1498750), wk = 0.0021552 k( 286) = ( 0.4315068 0.2491306 0.1498750), wk = 0.0021552 k( 287) = ( 0.4383562 0.2530850 0.1498750), wk = 0.0021552 k( 288) = ( 0.4452055 0.2570395 0.1498750), wk = 0.0021552 k( 289) = ( 0.4520548 0.2609940 0.1498750), wk = 0.0021552 k( 290) = ( 0.4589041 0.2649484 0.1498750), wk = 0.0021552 k( 291) = ( 0.4657534 0.2689029 0.1498750), wk = 0.0021552 k( 292) = ( 0.4726027 0.2728573 0.1498750), wk = 0.0021552 k( 293) = ( 0.4794521 0.2768118 0.1498750), wk = 0.0021552 k( 294) = ( 0.4863014 0.2807662 0.1498750), wk = 0.0021552 k( 295) = ( 0.4931507 0.2847207 0.1498750), wk = 0.0021552 k( 296) = ( 0.5000000 0.2886751 0.1498750), wk = 0.0021552 k( 297) = ( 0.5000000 0.2886751 0.1498750), wk = 0.0021552 k( 298) = ( 0.4960317 0.2955484 0.1498750), wk = 0.0021552 k( 299) = ( 0.4920635 0.3024216 0.1498750), wk = 0.0021552 k( 300) = ( 0.4880952 0.3092948 0.1498750), wk = 0.0021552 k( 301) = ( 0.4841270 0.3161680 0.1498750), wk = 0.0021552 k( 302) = ( 0.4801587 0.3230412 0.1498750), wk = 0.0021552 k( 303) = ( 0.4761905 0.3299144 0.1498750), wk = 0.0021552 k( 304) = ( 0.4722222 0.3367877 0.1498750), wk = 0.0021552 k( 305) = ( 0.4682540 0.3436609 0.1498750), wk = 0.0021552 k( 306) = ( 0.4642857 0.3505341 0.1498750), wk = 0.0021552 k( 307) = ( 0.4603175 0.3574073 0.1498750), wk = 0.0021552 k( 308) = ( 0.4563492 0.3642805 0.1498750), wk = 0.0021552 k( 309) = ( 0.4523810 0.3711537 0.1498750), wk = 0.0021552 k( 310) = ( 0.4484127 0.3780270 0.1498750), wk = 0.0021552 k( 311) = ( 0.4444444 0.3849002 0.1498750), wk = 0.0021552 k( 312) = ( 0.4404762 0.3917734 0.1498750), wk = 0.0021552 k( 313) = ( 0.4365079 0.3986466 0.1498750), wk = 0.0021552 k( 314) = ( 0.4325397 0.4055198 0.1498750), wk = 0.0021552 k( 315) = ( 0.4285714 0.4123930 0.1498750), wk = 0.0021552 k( 316) = ( 0.4246032 0.4192663 0.1498750), wk = 0.0021552 k( 317) = ( 0.4206349 0.4261395 0.1498750), wk = 0.0021552 k( 318) = ( 0.4166667 0.4330127 0.1498750), wk = 0.0021552 k( 319) = ( 0.4126984 0.4398859 0.1498750), wk = 0.0021552 k( 320) = ( 0.4087302 0.4467591 0.1498750), wk = 0.0021552 k( 321) = ( 0.4047619 0.4536324 0.1498750), wk = 0.0021552 k( 322) = ( 0.4007937 0.4605056 0.1498750), wk = 0.0021552 k( 323) = ( 0.3968254 0.4673788 0.1498750), wk = 0.0021552 k( 324) = ( 0.3928571 0.4742520 0.1498750), wk = 0.0021552 k( 325) = ( 0.3888889 0.4811252 0.1498750), wk = 0.0021552 k( 326) = ( 0.3849206 0.4879984 0.1498750), wk = 0.0021552 k( 327) = ( 0.3809524 0.4948717 0.1498750), wk = 0.0021552 k( 328) = ( 0.3769841 0.5017449 0.1498750), wk = 0.0021552 k( 329) = ( 0.3730159 0.5086181 0.1498750), wk = 0.0021552 k( 330) = ( 0.3690476 0.5154913 0.1498750), wk = 0.0021552 k( 331) = ( 0.3650794 0.5223645 0.1498750), wk = 0.0021552 k( 332) = ( 0.3611111 0.5292377 0.1498750), wk = 0.0021552 k( 333) = ( 0.3571429 0.5361110 0.1498750), wk = 0.0021552 k( 334) = ( 0.3531746 0.5429842 0.1498750), wk = 0.0021552 k( 335) = ( 0.3492063 0.5498574 0.1498750), wk = 0.0021552 k( 336) = ( 0.3452381 0.5567306 0.1498750), wk = 0.0021552 k( 337) = ( 0.3412698 0.5636038 0.1498750), wk = 0.0021552 k( 338) = ( 0.3373016 0.5704771 0.1498750), wk = 0.0021552 k( 339) = ( 0.3333333 0.5773503 0.1498750), wk = 0.0021552 k( 340) = ( 0.3333333 0.5773503 0.1498750), wk = 0.0021552 k( 341) = ( 0.3293651 0.5704771 0.1498750), wk = 0.0021552 k( 342) = ( 0.3253968 0.5636038 0.1498750), wk = 0.0021552 k( 343) = ( 0.3214286 0.5567306 0.1498750), wk = 0.0021552 k( 344) = ( 0.3174603 0.5498574 0.1498750), wk = 0.0021552 k( 345) = ( 0.3134921 0.5429842 0.1498750), wk = 0.0021552 k( 346) = ( 0.3095238 0.5361110 0.1498750), wk = 0.0021552 k( 347) = ( 0.3055556 0.5292378 0.1498750), wk = 0.0021552 k( 348) = ( 0.3015873 0.5223645 0.1498750), wk = 0.0021552 k( 349) = ( 0.2976190 0.5154913 0.1498750), wk = 0.0021552 k( 350) = ( 0.2936508 0.5086181 0.1498750), wk = 0.0021552 k( 351) = ( 0.2896825 0.5017449 0.1498750), wk = 0.0021552 k( 352) = ( 0.2857143 0.4948717 0.1498750), wk = 0.0021552 k( 353) = ( 0.2817460 0.4879984 0.1498750), wk = 0.0021552 k( 354) = ( 0.2777778 0.4811252 0.1498750), wk = 0.0021552 k( 355) = ( 0.2738095 0.4742520 0.1498750), wk = 0.0021552 k( 356) = ( 0.2698413 0.4673788 0.1498750), wk = 0.0021552 k( 357) = ( 0.2658730 0.4605056 0.1498750), wk = 0.0021552 k( 358) = ( 0.2619048 0.4536324 0.1498750), wk = 0.0021552 k( 359) = ( 0.2579365 0.4467591 0.1498750), wk = 0.0021552 k( 360) = ( 0.2539683 0.4398859 0.1498750), wk = 0.0021552 k( 361) = ( 0.2500000 0.4330127 0.1498750), wk = 0.0021552 k( 362) = ( 0.2460317 0.4261395 0.1498750), wk = 0.0021552 k( 363) = ( 0.2420635 0.4192663 0.1498750), wk = 0.0021552 k( 364) = ( 0.2380952 0.4123931 0.1498750), wk = 0.0021552 k( 365) = ( 0.2341270 0.4055198 0.1498750), wk = 0.0021552 k( 366) = ( 0.2301587 0.3986466 0.1498750), wk = 0.0021552 k( 367) = ( 0.2261905 0.3917734 0.1498750), wk = 0.0021552 k( 368) = ( 0.2222222 0.3849002 0.1498750), wk = 0.0021552 k( 369) = ( 0.2182540 0.3780270 0.1498750), wk = 0.0021552 k( 370) = ( 0.2142857 0.3711537 0.1498750), wk = 0.0021552 k( 371) = ( 0.2103175 0.3642805 0.1498750), wk = 0.0021552 k( 372) = ( 0.2063492 0.3574073 0.1498750), wk = 0.0021552 k( 373) = ( 0.2023810 0.3505341 0.1498750), wk = 0.0021552 k( 374) = ( 0.1984127 0.3436609 0.1498750), wk = 0.0021552 k( 375) = ( 0.1944444 0.3367876 0.1498750), wk = 0.0021552 k( 376) = ( 0.1904762 0.3299144 0.1498750), wk = 0.0021552 k( 377) = ( 0.1865079 0.3230412 0.1498750), wk = 0.0021552 k( 378) = ( 0.1825397 0.3161680 0.1498750), wk = 0.0021552 k( 379) = ( 0.1785714 0.3092948 0.1498750), wk = 0.0021552 k( 380) = ( 0.1746032 0.3024216 0.1498750), wk = 0.0021552 k( 381) = ( 0.1706349 0.2955484 0.1498750), wk = 0.0021552 k( 382) = ( 0.1666667 0.2886751 0.1498750), wk = 0.0021552 k( 383) = ( 0.1626984 0.2818019 0.1498750), wk = 0.0021552 k( 384) = ( 0.1587302 0.2749287 0.1498750), wk = 0.0021552 k( 385) = ( 0.1547619 0.2680555 0.1498750), wk = 0.0021552 k( 386) = ( 0.1507937 0.2611823 0.1498750), wk = 0.0021552 k( 387) = ( 0.1468254 0.2543091 0.1498750), wk = 0.0021552 k( 388) = ( 0.1428571 0.2474358 0.1498750), wk = 0.0021552 k( 389) = ( 0.1388889 0.2405626 0.1498750), wk = 0.0021552 k( 390) = ( 0.1349206 0.2336894 0.1498750), wk = 0.0021552 k( 391) = ( 0.1309524 0.2268162 0.1498750), wk = 0.0021552 k( 392) = ( 0.1269841 0.2199430 0.1498750), wk = 0.0021552 k( 393) = ( 0.1230159 0.2130697 0.1498750), wk = 0.0021552 k( 394) = ( 0.1190476 0.2061965 0.1498750), wk = 0.0021552 k( 395) = ( 0.1150794 0.1993233 0.1498750), wk = 0.0021552 k( 396) = ( 0.1111111 0.1924501 0.1498750), wk = 0.0021552 k( 397) = ( 0.1071429 0.1855769 0.1498750), wk = 0.0021552 k( 398) = ( 0.1031746 0.1787036 0.1498750), wk = 0.0021552 k( 399) = ( 0.0992063 0.1718304 0.1498750), wk = 0.0021552 k( 400) = ( 0.0952381 0.1649572 0.1498750), wk = 0.0021552 k( 401) = ( 0.0912698 0.1580840 0.1498750), wk = 0.0021552 k( 402) = ( 0.0873016 0.1512108 0.1498750), wk = 0.0021552 k( 403) = ( 0.0833333 0.1443376 0.1498750), wk = 0.0021552 k( 404) = ( 0.0793651 0.1374644 0.1498750), wk = 0.0021552 k( 405) = ( 0.0753968 0.1305911 0.1498750), wk = 0.0021552 k( 406) = ( 0.0714286 0.1237179 0.1498750), wk = 0.0021552 k( 407) = ( 0.0674603 0.1168447 0.1498750), wk = 0.0021552 k( 408) = ( 0.0634921 0.1099715 0.1498750), wk = 0.0021552 k( 409) = ( 0.0595238 0.1030983 0.1498750), wk = 0.0021552 k( 410) = ( 0.0555556 0.0962251 0.1498750), wk = 0.0021552 k( 411) = ( 0.0515873 0.0893518 0.1498750), wk = 0.0021552 k( 412) = ( 0.0476191 0.0824786 0.1498750), wk = 0.0021552 k( 413) = ( 0.0436508 0.0756054 0.1498750), wk = 0.0021552 k( 414) = ( 0.0396825 0.0687322 0.1498750), wk = 0.0021552 k( 415) = ( 0.0357143 0.0618590 0.1498750), wk = 0.0021552 k( 416) = ( 0.0317460 0.0549857 0.1498750), wk = 0.0021552 k( 417) = ( 0.0277778 0.0481125 0.1498750), wk = 0.0021552 k( 418) = ( 0.0238095 0.0412393 0.1498750), wk = 0.0021552 k( 419) = ( 0.0198413 0.0343661 0.1498750), wk = 0.0021552 k( 420) = ( 0.0158730 0.0274929 0.1498750), wk = 0.0021552 k( 421) = ( 0.0119048 0.0206196 0.1498750), wk = 0.0021552 k( 422) = ( 0.0079365 0.0137464 0.1498750), wk = 0.0021552 k( 423) = ( 0.0039683 0.0068732 0.1498750), wk = 0.0021552 k( 424) = ( 0.0000000 0.0000000 0.1498750), wk = 0.0021552 k( 425) = ( 0.5000000 0.2886751 0.1498750), wk = 0.0021552 k( 426) = ( 0.5000000 0.2886751 0.1419868), wk = 0.0021552 k( 427) = ( 0.5000000 0.2886751 0.1340986), wk = 0.0021552 k( 428) = ( 0.5000000 0.2886751 0.1262105), wk = 0.0021552 k( 429) = ( 0.5000000 0.2886751 0.1183223), wk = 0.0021552 k( 430) = ( 0.5000000 0.2886751 0.1104342), wk = 0.0021552 k( 431) = ( 0.5000000 0.2886751 0.1025460), wk = 0.0021552 k( 432) = ( 0.5000000 0.2886751 0.0946579), wk = 0.0021552 k( 433) = ( 0.5000000 0.2886751 0.0867697), wk = 0.0021552 k( 434) = ( 0.5000000 0.2886751 0.0788816), wk = 0.0021552 k( 435) = ( 0.5000000 0.2886751 0.0709934), wk = 0.0021552 k( 436) = ( 0.5000000 0.2886751 0.0631052), wk = 0.0021552 k( 437) = ( 0.5000000 0.2886751 0.0552171), wk = 0.0021552 k( 438) = ( 0.5000000 0.2886751 0.0473289), wk = 0.0021552 k( 439) = ( 0.5000000 0.2886751 0.0394408), wk = 0.0021552 k( 440) = ( 0.5000000 0.2886751 0.0315526), wk = 0.0021552 k( 441) = ( 0.5000000 0.2886751 0.0236645), wk = 0.0021552 k( 442) = ( 0.5000000 0.2886751 0.0157763), wk = 0.0021552 k( 443) = ( 0.5000000 0.2886751 0.0078882), wk = 0.0021552 k( 444) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0021552 k( 445) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0021552 k( 446) = ( 0.3333333 0.5773503 0.0078882), wk = 0.0021552 k( 447) = ( 0.3333333 0.5773503 0.0157763), wk = 0.0021552 k( 448) = ( 0.3333333 0.5773503 0.0236645), wk = 0.0021552 k( 449) = ( 0.3333333 0.5773503 0.0315526), wk = 0.0021552 k( 450) = ( 0.3333333 0.5773503 0.0394408), wk = 0.0021552 k( 451) = ( 0.3333333 0.5773503 0.0473289), wk = 0.0021552 k( 452) = ( 0.3333333 0.5773503 0.0552171), wk = 0.0021552 k( 453) = ( 0.3333333 0.5773503 0.0631052), wk = 0.0021552 k( 454) = ( 0.3333333 0.5773503 0.0709934), wk = 0.0021552 k( 455) = ( 0.3333333 0.5773503 0.0788816), wk = 0.0021552 k( 456) = ( 0.3333333 0.5773503 0.0867697), wk = 0.0021552 k( 457) = ( 0.3333333 0.5773503 0.0946579), wk = 0.0021552 k( 458) = ( 0.3333333 0.5773503 0.1025460), wk = 0.0021552 k( 459) = ( 0.3333333 0.5773503 0.1104342), wk = 0.0021552 k( 460) = ( 0.3333333 0.5773503 0.1183223), wk = 0.0021552 k( 461) = ( 0.3333333 0.5773503 0.1262105), wk = 0.0021552 k( 462) = ( 0.3333333 0.5773503 0.1340986), wk = 0.0021552 k( 463) = ( 0.3333333 0.5773503 0.1419868), wk = 0.0021552 k( 464) = ( 0.3333333 0.5773503 0.1498750), wk = 0.0021552 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021552 k( 2) = ( 0.0068493 0.0000000 0.0000000), wk = 0.0021552 k( 3) = ( 0.0136986 0.0000000 0.0000000), wk = 0.0021552 k( 4) = ( 0.0205479 -0.0000000 -0.0000000), wk = 0.0021552 k( 5) = ( 0.0273973 0.0000000 0.0000000), wk = 0.0021552 k( 6) = ( 0.0342466 -0.0000000 -0.0000000), wk = 0.0021552 k( 7) = ( 0.0410959 0.0000000 0.0000000), wk = 0.0021552 k( 8) = ( 0.0479452 0.0000000 -0.0000000), wk = 0.0021552 k( 9) = ( 0.0547945 0.0000000 0.0000000), wk = 0.0021552 k( 10) = ( 0.0616438 -0.0000000 -0.0000000), wk = 0.0021552 k( 11) = ( 0.0684932 0.0000000 -0.0000000), wk = 0.0021552 k( 12) = ( 0.0753425 -0.0000000 -0.0000000), wk = 0.0021552 k( 13) = ( 0.0821918 0.0000000 0.0000000), wk = 0.0021552 k( 14) = ( 0.0890411 0.0000000 -0.0000000), wk = 0.0021552 k( 15) = ( 0.0958904 0.0000000 -0.0000000), wk = 0.0021552 k( 16) = ( 0.1027397 -0.0000000 -0.0000000), wk = 0.0021552 k( 17) = ( 0.1095890 0.0000000 0.0000000), wk = 0.0021552 k( 18) = ( 0.1164384 0.0000000 0.0000000), wk = 0.0021552 k( 19) = ( 0.1232877 -0.0000000 -0.0000000), wk = 0.0021552 k( 20) = ( 0.1301370 -0.0000000 -0.0000000), wk = 0.0021552 k( 21) = ( 0.1369863 0.0000000 -0.0000000), wk = 0.0021552 k( 22) = ( 0.1438356 -0.0000000 -0.0000000), wk = 0.0021552 k( 23) = ( 0.1506849 0.0000000 0.0000000), wk = 0.0021552 k( 24) = ( 0.1575342 -0.0000000 -0.0000000), wk = 0.0021552 k( 25) = ( 0.1643836 0.0000000 0.0000000), wk = 0.0021552 k( 26) = ( 0.1712329 0.0000000 -0.0000000), wk = 0.0021552 k( 27) = ( 0.1780822 0.0000000 -0.0000000), wk = 0.0021552 k( 28) = ( 0.1849315 0.0000000 0.0000000), wk = 0.0021552 k( 29) = ( 0.1917808 0.0000000 -0.0000000), wk = 0.0021552 k( 30) = ( 0.1986301 0.0000000 -0.0000000), wk = 0.0021552 k( 31) = ( 0.2054795 -0.0000000 -0.0000000), wk = 0.0021552 k( 32) = ( 0.2123288 0.0000000 -0.0000000), wk = 0.0021552 k( 33) = ( 0.2191781 0.0000000 0.0000000), wk = 0.0021552 k( 34) = ( 0.2260274 -0.0000000 -0.0000000), wk = 0.0021552 k( 35) = ( 0.2328767 0.0000000 -0.0000000), wk = 0.0021552 k( 36) = ( 0.2397260 0.0000000 -0.0000000), wk = 0.0021552 k( 37) = ( 0.2465753 -0.0000000 -0.0000000), wk = 0.0021552 k( 38) = ( 0.2534247 -0.0000000 -0.0000000), wk = 0.0021552 k( 39) = ( 0.2602740 0.0000000 0.0000000), wk = 0.0021552 k( 40) = ( 0.2671233 -0.0000000 0.0000000), wk = 0.0021552 k( 41) = ( 0.2739726 0.0000000 -0.0000000), wk = 0.0021552 k( 42) = ( 0.2808219 -0.0000000 -0.0000000), wk = 0.0021552 k( 43) = ( 0.2876712 0.0000000 -0.0000000), wk = 0.0021552 k( 44) = ( 0.2945205 -0.0000000 -0.0000000), wk = 0.0021552 k( 45) = ( 0.3013699 0.0000000 0.0000000), wk = 0.0021552 k( 46) = ( 0.3082192 -0.0000000 -0.0000000), wk = 0.0021552 k( 47) = ( 0.3150685 -0.0000000 -0.0000000), wk = 0.0021552 k( 48) = ( 0.3219178 -0.0000000 -0.0000000), wk = 0.0021552 k( 49) = ( 0.3287671 0.0000000 0.0000000), wk = 0.0021552 k( 50) = ( 0.3356164 0.0000000 -0.0000000), wk = 0.0021552 k( 51) = ( 0.3424658 0.0000000 -0.0000000), wk = 0.0021552 k( 52) = ( 0.3493151 0.0000000 -0.0000000), wk = 0.0021552 k( 53) = ( 0.3561644 0.0000000 -0.0000000), wk = 0.0021552 k( 54) = ( 0.3630137 0.0000000 -0.0000000), wk = 0.0021552 k( 55) = ( 0.3698630 0.0000000 -0.0000000), wk = 0.0021552 k( 56) = ( 0.3767123 0.0000000 -0.0000000), wk = 0.0021552 k( 57) = ( 0.3835616 0.0000000 -0.0000000), wk = 0.0021552 k( 58) = ( 0.3904110 0.0000000 -0.0000000), wk = 0.0021552 k( 59) = ( 0.3972603 -0.0000000 0.0000000), wk = 0.0021552 k( 60) = ( 0.4041096 0.0000000 -0.0000000), wk = 0.0021552 k( 61) = ( 0.4109589 -0.0000000 -0.0000000), wk = 0.0021552 k( 62) = ( 0.4178082 0.0000000 -0.0000000), wk = 0.0021552 k( 63) = ( 0.4246575 -0.0000000 0.0000000), wk = 0.0021552 k( 64) = ( 0.4315068 0.0000000 -0.0000000), wk = 0.0021552 k( 65) = ( 0.4383562 0.0000000 0.0000000), wk = 0.0021552 k( 66) = ( 0.4452055 0.0000000 -0.0000000), wk = 0.0021552 k( 67) = ( 0.4520548 -0.0000000 -0.0000000), wk = 0.0021552 k( 68) = ( 0.4589041 -0.0000000 -0.0000000), wk = 0.0021552 k( 69) = ( 0.4657534 0.0000000 -0.0000000), wk = 0.0021552 k( 70) = ( 0.4726027 -0.0000000 -0.0000000), wk = 0.0021552 k( 71) = ( 0.4794521 0.0000000 0.0000000), wk = 0.0021552 k( 72) = ( 0.4863014 0.0000000 0.0000000), wk = 0.0021552 k( 73) = ( 0.4931507 -0.0000000 -0.0000000), wk = 0.0021552 k( 74) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0021552 k( 75) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0021552 k( 76) = ( 0.4960317 0.0079365 -0.0000000), wk = 0.0021552 k( 77) = ( 0.4920635 0.0158730 0.0000000), wk = 0.0021552 k( 78) = ( 0.4880952 0.0238095 0.0000000), wk = 0.0021552 k( 79) = ( 0.4841270 0.0317460 -0.0000000), wk = 0.0021552 k( 80) = ( 0.4801587 0.0396825 -0.0000000), wk = 0.0021552 k( 81) = ( 0.4761905 0.0476191 -0.0000000), wk = 0.0021552 k( 82) = ( 0.4722222 0.0555556 -0.0000000), wk = 0.0021552 k( 83) = ( 0.4682540 0.0634921 -0.0000000), wk = 0.0021552 k( 84) = ( 0.4642857 0.0714286 -0.0000000), wk = 0.0021552 k( 85) = ( 0.4603175 0.0793651 -0.0000000), wk = 0.0021552 k( 86) = ( 0.4563492 0.0873016 0.0000000), wk = 0.0021552 k( 87) = ( 0.4523810 0.0952381 -0.0000000), wk = 0.0021552 k( 88) = ( 0.4484127 0.1031746 -0.0000000), wk = 0.0021552 k( 89) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0021552 k( 90) = ( 0.4404762 0.1190476 -0.0000000), wk = 0.0021552 k( 91) = ( 0.4365079 0.1269841 -0.0000000), wk = 0.0021552 k( 92) = ( 0.4325397 0.1349206 -0.0000000), wk = 0.0021552 k( 93) = ( 0.4285714 0.1428571 -0.0000000), wk = 0.0021552 k( 94) = ( 0.4246032 0.1507937 0.0000000), wk = 0.0021552 k( 95) = ( 0.4206349 0.1587302 -0.0000000), wk = 0.0021552 k( 96) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0021552 k( 97) = ( 0.4126984 0.1746032 -0.0000000), wk = 0.0021552 k( 98) = ( 0.4087302 0.1825397 -0.0000000), wk = 0.0021552 k( 99) = ( 0.4047619 0.1904762 -0.0000000), wk = 0.0021552 k( 100) = ( 0.4007937 0.1984127 -0.0000000), wk = 0.0021552 k( 101) = ( 0.3968254 0.2063492 0.0000000), wk = 0.0021552 k( 102) = ( 0.3928571 0.2142857 -0.0000000), wk = 0.0021552 k( 103) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0021552 k( 104) = ( 0.3849206 0.2301587 -0.0000000), wk = 0.0021552 k( 105) = ( 0.3809524 0.2380952 0.0000000), wk = 0.0021552 k( 106) = ( 0.3769841 0.2460317 -0.0000000), wk = 0.0021552 k( 107) = ( 0.3730159 0.2539682 -0.0000000), wk = 0.0021552 k( 108) = ( 0.3690476 0.2619048 -0.0000000), wk = 0.0021552 k( 109) = ( 0.3650794 0.2698413 -0.0000000), wk = 0.0021552 k( 110) = ( 0.3611111 0.2777778 -0.0000000), wk = 0.0021552 k( 111) = ( 0.3571429 0.2857143 -0.0000000), wk = 0.0021552 k( 112) = ( 0.3531746 0.2936508 0.0000000), wk = 0.0021552 k( 113) = ( 0.3492063 0.3015873 0.0000000), wk = 0.0021552 k( 114) = ( 0.3452381 0.3095238 -0.0000000), wk = 0.0021552 k( 115) = ( 0.3412698 0.3174603 0.0000000), wk = 0.0021552 k( 116) = ( 0.3373016 0.3253968 -0.0000000), wk = 0.0021552 k( 117) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0021552 k( 118) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0021552 k( 119) = ( 0.3293651 0.3293651 -0.0000000), wk = 0.0021552 k( 120) = ( 0.3253968 0.3253968 -0.0000000), wk = 0.0021552 k( 121) = ( 0.3214286 0.3214286 0.0000000), wk = 0.0021552 k( 122) = ( 0.3174603 0.3174603 -0.0000000), wk = 0.0021552 k( 123) = ( 0.3134921 0.3134921 0.0000000), wk = 0.0021552 k( 124) = ( 0.3095238 0.3095238 0.0000000), wk = 0.0021552 k( 125) = ( 0.3055556 0.3055556 0.0000000), wk = 0.0021552 k( 126) = ( 0.3015873 0.3015873 -0.0000000), wk = 0.0021552 k( 127) = ( 0.2976190 0.2976191 0.0000000), wk = 0.0021552 k( 128) = ( 0.2936508 0.2936508 0.0000000), wk = 0.0021552 k( 129) = ( 0.2896825 0.2896825 -0.0000000), wk = 0.0021552 k( 130) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0021552 k( 131) = ( 0.2817460 0.2817460 -0.0000000), wk = 0.0021552 k( 132) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0021552 k( 133) = ( 0.2738095 0.2738095 -0.0000000), wk = 0.0021552 k( 134) = ( 0.2698413 0.2698413 -0.0000000), wk = 0.0021552 k( 135) = ( 0.2658730 0.2658730 0.0000000), wk = 0.0021552 k( 136) = ( 0.2619048 0.2619048 -0.0000000), wk = 0.0021552 k( 137) = ( 0.2579365 0.2579365 -0.0000000), wk = 0.0021552 k( 138) = ( 0.2539683 0.2539683 0.0000000), wk = 0.0021552 k( 139) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0021552 k( 140) = ( 0.2460317 0.2460317 -0.0000000), wk = 0.0021552 k( 141) = ( 0.2420635 0.2420635 -0.0000000), wk = 0.0021552 k( 142) = ( 0.2380952 0.2380952 -0.0000000), wk = 0.0021552 k( 143) = ( 0.2341270 0.2341270 -0.0000000), wk = 0.0021552 k( 144) = ( 0.2301587 0.2301587 -0.0000000), wk = 0.0021552 k( 145) = ( 0.2261905 0.2261905 0.0000000), wk = 0.0021552 k( 146) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0021552 k( 147) = ( 0.2182540 0.2182540 0.0000000), wk = 0.0021552 k( 148) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0021552 k( 149) = ( 0.2103175 0.2103175 -0.0000000), wk = 0.0021552 k( 150) = ( 0.2063492 0.2063492 -0.0000000), wk = 0.0021552 k( 151) = ( 0.2023810 0.2023809 -0.0000000), wk = 0.0021552 k( 152) = ( 0.1984127 0.1984127 -0.0000000), wk = 0.0021552 k( 153) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0021552 k( 154) = ( 0.1904762 0.1904762 0.0000000), wk = 0.0021552 k( 155) = ( 0.1865079 0.1865079 -0.0000000), wk = 0.0021552 k( 156) = ( 0.1825397 0.1825397 0.0000000), wk = 0.0021552 k( 157) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0021552 k( 158) = ( 0.1746032 0.1746032 -0.0000000), wk = 0.0021552 k( 159) = ( 0.1706349 0.1706349 -0.0000000), wk = 0.0021552 k( 160) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0021552 k( 161) = ( 0.1626984 0.1626984 0.0000000), wk = 0.0021552 k( 162) = ( 0.1587302 0.1587302 -0.0000000), wk = 0.0021552 k( 163) = ( 0.1547619 0.1547619 -0.0000000), wk = 0.0021552 k( 164) = ( 0.1507937 0.1507937 -0.0000000), wk = 0.0021552 k( 165) = ( 0.1468254 0.1468254 0.0000000), wk = 0.0021552 k( 166) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0021552 k( 167) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0021552 k( 168) = ( 0.1349206 0.1349206 -0.0000000), wk = 0.0021552 k( 169) = ( 0.1309524 0.1309524 -0.0000000), wk = 0.0021552 k( 170) = ( 0.1269841 0.1269841 0.0000000), wk = 0.0021552 k( 171) = ( 0.1230159 0.1230159 -0.0000000), wk = 0.0021552 k( 172) = ( 0.1190476 0.1190476 -0.0000000), wk = 0.0021552 k( 173) = ( 0.1150794 0.1150794 -0.0000000), wk = 0.0021552 k( 174) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0021552 k( 175) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0021552 k( 176) = ( 0.1031746 0.1031746 -0.0000000), wk = 0.0021552 k( 177) = ( 0.0992063 0.0992064 -0.0000000), wk = 0.0021552 k( 178) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0021552 k( 179) = ( 0.0912698 0.0912698 0.0000000), wk = 0.0021552 k( 180) = ( 0.0873016 0.0873016 0.0000000), wk = 0.0021552 k( 181) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0021552 k( 182) = ( 0.0793651 0.0793651 -0.0000000), wk = 0.0021552 k( 183) = ( 0.0753968 0.0753968 0.0000000), wk = 0.0021552 k( 184) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0021552 k( 185) = ( 0.0674603 0.0674603 -0.0000000), wk = 0.0021552 k( 186) = ( 0.0634921 0.0634921 -0.0000000), wk = 0.0021552 k( 187) = ( 0.0595238 0.0595238 -0.0000000), wk = 0.0021552 k( 188) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0021552 k( 189) = ( 0.0515873 0.0515873 -0.0000000), wk = 0.0021552 k( 190) = ( 0.0476191 0.0476191 -0.0000000), wk = 0.0021552 k( 191) = ( 0.0436508 0.0436508 -0.0000000), wk = 0.0021552 k( 192) = ( 0.0396825 0.0396825 -0.0000000), wk = 0.0021552 k( 193) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0021552 k( 194) = ( 0.0317460 0.0317460 -0.0000000), wk = 0.0021552 k( 195) = ( 0.0277778 0.0277778 -0.0000000), wk = 0.0021552 k( 196) = ( 0.0238095 0.0238095 -0.0000000), wk = 0.0021552 k( 197) = ( 0.0198413 0.0198413 -0.0000000), wk = 0.0021552 k( 198) = ( 0.0158730 0.0158730 -0.0000000), wk = 0.0021552 k( 199) = ( 0.0119048 0.0119048 -0.0000000), wk = 0.0021552 k( 200) = ( 0.0079365 0.0079365 -0.0000000), wk = 0.0021552 k( 201) = ( 0.0039683 0.0039683 0.0000000), wk = 0.0021552 k( 202) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021552 k( 203) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021552 k( 204) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0021552 k( 205) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0021552 k( 206) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0021552 k( 207) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0021552 k( 208) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0021552 k( 209) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0021552 k( 210) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0021552 k( 211) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0021552 k( 212) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0021552 k( 213) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0021552 k( 214) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0021552 k( 215) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0021552 k( 216) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0021552 k( 217) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0021552 k( 218) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0021552 k( 219) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0021552 k( 220) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0021552 k( 221) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0021552 k( 222) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021552 k( 223) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021552 k( 224) = ( 0.0068493 0.0000000 0.5000000), wk = 0.0021552 k( 225) = ( 0.0136986 0.0000000 0.5000000), wk = 0.0021552 k( 226) = ( 0.0205479 -0.0000000 0.5000000), wk = 0.0021552 k( 227) = ( 0.0273973 0.0000000 0.5000000), wk = 0.0021552 k( 228) = ( 0.0342466 -0.0000000 0.5000000), wk = 0.0021552 k( 229) = ( 0.0410959 0.0000000 0.5000000), wk = 0.0021552 k( 230) = ( 0.0479452 0.0000000 0.5000000), wk = 0.0021552 k( 231) = ( 0.0547945 0.0000000 0.5000000), wk = 0.0021552 k( 232) = ( 0.0616438 -0.0000000 0.5000000), wk = 0.0021552 k( 233) = ( 0.0684932 0.0000000 0.5000000), wk = 0.0021552 k( 234) = ( 0.0753425 -0.0000000 0.5000000), wk = 0.0021552 k( 235) = ( 0.0821918 0.0000000 0.5000000), wk = 0.0021552 k( 236) = ( 0.0890411 0.0000000 0.5000000), wk = 0.0021552 k( 237) = ( 0.0958904 0.0000000 0.5000000), wk = 0.0021552 k( 238) = ( 0.1027397 -0.0000000 0.5000000), wk = 0.0021552 k( 239) = ( 0.1095890 0.0000000 0.5000000), wk = 0.0021552 k( 240) = ( 0.1164384 0.0000000 0.5000000), wk = 0.0021552 k( 241) = ( 0.1232877 -0.0000000 0.5000000), wk = 0.0021552 k( 242) = ( 0.1301370 -0.0000000 0.5000000), wk = 0.0021552 k( 243) = ( 0.1369863 0.0000000 0.5000000), wk = 0.0021552 k( 244) = ( 0.1438356 -0.0000000 0.5000000), wk = 0.0021552 k( 245) = ( 0.1506849 0.0000000 0.5000000), wk = 0.0021552 k( 246) = ( 0.1575342 -0.0000000 0.5000000), wk = 0.0021552 k( 247) = ( 0.1643836 0.0000000 0.5000000), wk = 0.0021552 k( 248) = ( 0.1712329 0.0000000 0.5000000), wk = 0.0021552 k( 249) = ( 0.1780822 0.0000000 0.5000000), wk = 0.0021552 k( 250) = ( 0.1849315 0.0000000 0.5000000), wk = 0.0021552 k( 251) = ( 0.1917808 0.0000000 0.5000000), wk = 0.0021552 k( 252) = ( 0.1986301 0.0000000 0.5000000), wk = 0.0021552 k( 253) = ( 0.2054795 -0.0000000 0.5000000), wk = 0.0021552 k( 254) = ( 0.2123288 0.0000000 0.5000000), wk = 0.0021552 k( 255) = ( 0.2191781 0.0000000 0.5000000), wk = 0.0021552 k( 256) = ( 0.2260274 -0.0000000 0.5000000), wk = 0.0021552 k( 257) = ( 0.2328767 0.0000000 0.5000000), wk = 0.0021552 k( 258) = ( 0.2397260 0.0000000 0.5000000), wk = 0.0021552 k( 259) = ( 0.2465753 -0.0000000 0.5000000), wk = 0.0021552 k( 260) = ( 0.2534247 -0.0000000 0.5000000), wk = 0.0021552 k( 261) = ( 0.2602740 0.0000000 0.5000000), wk = 0.0021552 k( 262) = ( 0.2671233 -0.0000000 0.5000000), wk = 0.0021552 k( 263) = ( 0.2739726 0.0000000 0.5000000), wk = 0.0021552 k( 264) = ( 0.2808219 -0.0000000 0.5000000), wk = 0.0021552 k( 265) = ( 0.2876712 0.0000000 0.5000000), wk = 0.0021552 k( 266) = ( 0.2945205 -0.0000000 0.5000000), wk = 0.0021552 k( 267) = ( 0.3013699 0.0000000 0.5000000), wk = 0.0021552 k( 268) = ( 0.3082192 -0.0000000 0.5000000), wk = 0.0021552 k( 269) = ( 0.3150685 -0.0000000 0.5000000), wk = 0.0021552 k( 270) = ( 0.3219178 -0.0000000 0.5000000), wk = 0.0021552 k( 271) = ( 0.3287671 0.0000000 0.5000000), wk = 0.0021552 k( 272) = ( 0.3356164 0.0000000 0.5000000), wk = 0.0021552 k( 273) = ( 0.3424658 0.0000000 0.5000000), wk = 0.0021552 k( 274) = ( 0.3493151 0.0000000 0.5000000), wk = 0.0021552 k( 275) = ( 0.3561644 0.0000000 0.5000000), wk = 0.0021552 k( 276) = ( 0.3630137 0.0000000 0.5000000), wk = 0.0021552 k( 277) = ( 0.3698630 0.0000000 0.5000000), wk = 0.0021552 k( 278) = ( 0.3767123 0.0000000 0.5000000), wk = 0.0021552 k( 279) = ( 0.3835616 0.0000000 0.5000000), wk = 0.0021552 k( 280) = ( 0.3904110 0.0000000 0.5000000), wk = 0.0021552 k( 281) = ( 0.3972603 -0.0000000 0.5000000), wk = 0.0021552 k( 282) = ( 0.4041096 0.0000000 0.5000000), wk = 0.0021552 k( 283) = ( 0.4109589 -0.0000000 0.5000000), wk = 0.0021552 k( 284) = ( 0.4178082 0.0000000 0.5000000), wk = 0.0021552 k( 285) = ( 0.4246575 -0.0000000 0.5000000), wk = 0.0021552 k( 286) = ( 0.4315068 0.0000000 0.5000000), wk = 0.0021552 k( 287) = ( 0.4383562 0.0000000 0.5000000), wk = 0.0021552 k( 288) = ( 0.4452055 0.0000000 0.5000000), wk = 0.0021552 k( 289) = ( 0.4520548 -0.0000000 0.5000000), wk = 0.0021552 k( 290) = ( 0.4589041 -0.0000000 0.5000000), wk = 0.0021552 k( 291) = ( 0.4657534 0.0000000 0.5000000), wk = 0.0021552 k( 292) = ( 0.4726027 -0.0000000 0.5000000), wk = 0.0021552 k( 293) = ( 0.4794521 0.0000000 0.5000000), wk = 0.0021552 k( 294) = ( 0.4863014 0.0000000 0.5000000), wk = 0.0021552 k( 295) = ( 0.4931507 -0.0000000 0.5000000), wk = 0.0021552 k( 296) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021552 k( 297) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021552 k( 298) = ( 0.4960317 0.0079365 0.5000000), wk = 0.0021552 k( 299) = ( 0.4920635 0.0158730 0.5000000), wk = 0.0021552 k( 300) = ( 0.4880952 0.0238095 0.5000000), wk = 0.0021552 k( 301) = ( 0.4841270 0.0317460 0.5000000), wk = 0.0021552 k( 302) = ( 0.4801587 0.0396825 0.5000000), wk = 0.0021552 k( 303) = ( 0.4761905 0.0476191 0.5000000), wk = 0.0021552 k( 304) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0021552 k( 305) = ( 0.4682540 0.0634921 0.5000000), wk = 0.0021552 k( 306) = ( 0.4642857 0.0714286 0.5000000), wk = 0.0021552 k( 307) = ( 0.4603175 0.0793651 0.5000000), wk = 0.0021552 k( 308) = ( 0.4563492 0.0873016 0.5000000), wk = 0.0021552 k( 309) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0021552 k( 310) = ( 0.4484127 0.1031746 0.5000000), wk = 0.0021552 k( 311) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0021552 k( 312) = ( 0.4404762 0.1190476 0.5000000), wk = 0.0021552 k( 313) = ( 0.4365079 0.1269841 0.5000000), wk = 0.0021552 k( 314) = ( 0.4325397 0.1349206 0.5000000), wk = 0.0021552 k( 315) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0021552 k( 316) = ( 0.4246032 0.1507937 0.5000000), wk = 0.0021552 k( 317) = ( 0.4206349 0.1587302 0.5000000), wk = 0.0021552 k( 318) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0021552 k( 319) = ( 0.4126984 0.1746032 0.5000000), wk = 0.0021552 k( 320) = ( 0.4087302 0.1825397 0.5000000), wk = 0.0021552 k( 321) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0021552 k( 322) = ( 0.4007937 0.1984127 0.5000000), wk = 0.0021552 k( 323) = ( 0.3968254 0.2063492 0.5000000), wk = 0.0021552 k( 324) = ( 0.3928571 0.2142857 0.5000000), wk = 0.0021552 k( 325) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0021552 k( 326) = ( 0.3849206 0.2301587 0.5000000), wk = 0.0021552 k( 327) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0021552 k( 328) = ( 0.3769841 0.2460317 0.5000000), wk = 0.0021552 k( 329) = ( 0.3730159 0.2539682 0.5000000), wk = 0.0021552 k( 330) = ( 0.3690476 0.2619048 0.5000000), wk = 0.0021552 k( 331) = ( 0.3650794 0.2698413 0.5000000), wk = 0.0021552 k( 332) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0021552 k( 333) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0021552 k( 334) = ( 0.3531746 0.2936508 0.5000000), wk = 0.0021552 k( 335) = ( 0.3492063 0.3015873 0.5000000), wk = 0.0021552 k( 336) = ( 0.3452381 0.3095238 0.5000000), wk = 0.0021552 k( 337) = ( 0.3412698 0.3174603 0.5000000), wk = 0.0021552 k( 338) = ( 0.3373016 0.3253968 0.5000000), wk = 0.0021552 k( 339) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0021552 k( 340) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0021552 k( 341) = ( 0.3293651 0.3293651 0.5000000), wk = 0.0021552 k( 342) = ( 0.3253968 0.3253968 0.5000000), wk = 0.0021552 k( 343) = ( 0.3214286 0.3214286 0.5000000), wk = 0.0021552 k( 344) = ( 0.3174603 0.3174603 0.5000000), wk = 0.0021552 k( 345) = ( 0.3134921 0.3134921 0.5000000), wk = 0.0021552 k( 346) = ( 0.3095238 0.3095238 0.5000000), wk = 0.0021552 k( 347) = ( 0.3055556 0.3055556 0.5000000), wk = 0.0021552 k( 348) = ( 0.3015873 0.3015873 0.5000000), wk = 0.0021552 k( 349) = ( 0.2976190 0.2976191 0.5000000), wk = 0.0021552 k( 350) = ( 0.2936508 0.2936508 0.5000000), wk = 0.0021552 k( 351) = ( 0.2896825 0.2896825 0.5000000), wk = 0.0021552 k( 352) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0021552 k( 353) = ( 0.2817460 0.2817460 0.5000000), wk = 0.0021552 k( 354) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0021552 k( 355) = ( 0.2738095 0.2738095 0.5000000), wk = 0.0021552 k( 356) = ( 0.2698413 0.2698413 0.5000000), wk = 0.0021552 k( 357) = ( 0.2658730 0.2658730 0.5000000), wk = 0.0021552 k( 358) = ( 0.2619048 0.2619048 0.5000000), wk = 0.0021552 k( 359) = ( 0.2579365 0.2579365 0.5000000), wk = 0.0021552 k( 360) = ( 0.2539683 0.2539683 0.5000000), wk = 0.0021552 k( 361) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0021552 k( 362) = ( 0.2460317 0.2460317 0.5000000), wk = 0.0021552 k( 363) = ( 0.2420635 0.2420635 0.5000000), wk = 0.0021552 k( 364) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0021552 k( 365) = ( 0.2341270 0.2341270 0.5000000), wk = 0.0021552 k( 366) = ( 0.2301587 0.2301587 0.5000000), wk = 0.0021552 k( 367) = ( 0.2261905 0.2261905 0.5000000), wk = 0.0021552 k( 368) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0021552 k( 369) = ( 0.2182540 0.2182540 0.5000000), wk = 0.0021552 k( 370) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0021552 k( 371) = ( 0.2103175 0.2103175 0.5000000), wk = 0.0021552 k( 372) = ( 0.2063492 0.2063492 0.5000000), wk = 0.0021552 k( 373) = ( 0.2023810 0.2023809 0.5000000), wk = 0.0021552 k( 374) = ( 0.1984127 0.1984127 0.5000000), wk = 0.0021552 k( 375) = ( 0.1944444 0.1944444 0.5000000), wk = 0.0021552 k( 376) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0021552 k( 377) = ( 0.1865079 0.1865079 0.5000000), wk = 0.0021552 k( 378) = ( 0.1825397 0.1825397 0.5000000), wk = 0.0021552 k( 379) = ( 0.1785714 0.1785714 0.5000000), wk = 0.0021552 k( 380) = ( 0.1746032 0.1746032 0.5000000), wk = 0.0021552 k( 381) = ( 0.1706349 0.1706349 0.5000000), wk = 0.0021552 k( 382) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0021552 k( 383) = ( 0.1626984 0.1626984 0.5000000), wk = 0.0021552 k( 384) = ( 0.1587302 0.1587302 0.5000000), wk = 0.0021552 k( 385) = ( 0.1547619 0.1547619 0.5000000), wk = 0.0021552 k( 386) = ( 0.1507937 0.1507937 0.5000000), wk = 0.0021552 k( 387) = ( 0.1468254 0.1468254 0.5000000), wk = 0.0021552 k( 388) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0021552 k( 389) = ( 0.1388889 0.1388889 0.5000000), wk = 0.0021552 k( 390) = ( 0.1349206 0.1349206 0.5000000), wk = 0.0021552 k( 391) = ( 0.1309524 0.1309524 0.5000000), wk = 0.0021552 k( 392) = ( 0.1269841 0.1269841 0.5000000), wk = 0.0021552 k( 393) = ( 0.1230159 0.1230159 0.5000000), wk = 0.0021552 k( 394) = ( 0.1190476 0.1190476 0.5000000), wk = 0.0021552 k( 395) = ( 0.1150794 0.1150794 0.5000000), wk = 0.0021552 k( 396) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0021552 k( 397) = ( 0.1071429 0.1071429 0.5000000), wk = 0.0021552 k( 398) = ( 0.1031746 0.1031746 0.5000000), wk = 0.0021552 k( 399) = ( 0.0992063 0.0992064 0.5000000), wk = 0.0021552 k( 400) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0021552 k( 401) = ( 0.0912698 0.0912698 0.5000000), wk = 0.0021552 k( 402) = ( 0.0873016 0.0873016 0.5000000), wk = 0.0021552 k( 403) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0021552 k( 404) = ( 0.0793651 0.0793651 0.5000000), wk = 0.0021552 k( 405) = ( 0.0753968 0.0753968 0.5000000), wk = 0.0021552 k( 406) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0021552 k( 407) = ( 0.0674603 0.0674603 0.5000000), wk = 0.0021552 k( 408) = ( 0.0634921 0.0634921 0.5000000), wk = 0.0021552 k( 409) = ( 0.0595238 0.0595238 0.5000000), wk = 0.0021552 k( 410) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0021552 k( 411) = ( 0.0515873 0.0515873 0.5000000), wk = 0.0021552 k( 412) = ( 0.0476191 0.0476191 0.5000000), wk = 0.0021552 k( 413) = ( 0.0436508 0.0436508 0.5000000), wk = 0.0021552 k( 414) = ( 0.0396825 0.0396825 0.5000000), wk = 0.0021552 k( 415) = ( 0.0357143 0.0357143 0.5000000), wk = 0.0021552 k( 416) = ( 0.0317460 0.0317460 0.5000000), wk = 0.0021552 k( 417) = ( 0.0277778 0.0277778 0.5000000), wk = 0.0021552 k( 418) = ( 0.0238095 0.0238095 0.5000000), wk = 0.0021552 k( 419) = ( 0.0198413 0.0198413 0.5000000), wk = 0.0021552 k( 420) = ( 0.0158730 0.0158730 0.5000000), wk = 0.0021552 k( 421) = ( 0.0119048 0.0119048 0.5000000), wk = 0.0021552 k( 422) = ( 0.0079365 0.0079365 0.5000000), wk = 0.0021552 k( 423) = ( 0.0039683 0.0039683 0.5000000), wk = 0.0021552 k( 424) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021552 k( 425) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021552 k( 426) = ( 0.5000000 0.0000000 0.4736842), wk = 0.0021552 k( 427) = ( 0.5000000 0.0000000 0.4473684), wk = 0.0021552 k( 428) = ( 0.5000000 0.0000000 0.4210526), wk = 0.0021552 k( 429) = ( 0.5000000 0.0000000 0.3947368), wk = 0.0021552 k( 430) = ( 0.5000000 0.0000000 0.3684211), wk = 0.0021552 k( 431) = ( 0.5000000 0.0000000 0.3421053), wk = 0.0021552 k( 432) = ( 0.5000000 0.0000000 0.3157895), wk = 0.0021552 k( 433) = ( 0.5000000 0.0000000 0.2894737), wk = 0.0021552 k( 434) = ( 0.5000000 0.0000000 0.2631579), wk = 0.0021552 k( 435) = ( 0.5000000 0.0000000 0.2368421), wk = 0.0021552 k( 436) = ( 0.5000000 0.0000000 0.2105263), wk = 0.0021552 k( 437) = ( 0.5000000 0.0000000 0.1842105), wk = 0.0021552 k( 438) = ( 0.5000000 0.0000000 0.1578947), wk = 0.0021552 k( 439) = ( 0.5000000 0.0000000 0.1315790), wk = 0.0021552 k( 440) = ( 0.5000000 0.0000000 0.1052632), wk = 0.0021552 k( 441) = ( 0.5000000 0.0000000 0.0789474), wk = 0.0021552 k( 442) = ( 0.5000000 0.0000000 0.0526316), wk = 0.0021552 k( 443) = ( 0.5000000 0.0000000 0.0263158), wk = 0.0021552 k( 444) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0021552 k( 445) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0021552 k( 446) = ( 0.3333333 0.3333333 0.0263158), wk = 0.0021552 k( 447) = ( 0.3333333 0.3333333 0.0526316), wk = 0.0021552 k( 448) = ( 0.3333333 0.3333333 0.0789474), wk = 0.0021552 k( 449) = ( 0.3333333 0.3333333 0.1052632), wk = 0.0021552 k( 450) = ( 0.3333333 0.3333333 0.1315790), wk = 0.0021552 k( 451) = ( 0.3333333 0.3333333 0.1578947), wk = 0.0021552 k( 452) = ( 0.3333333 0.3333333 0.1842105), wk = 0.0021552 k( 453) = ( 0.3333333 0.3333333 0.2105263), wk = 0.0021552 k( 454) = ( 0.3333333 0.3333333 0.2368421), wk = 0.0021552 k( 455) = ( 0.3333333 0.3333333 0.2631579), wk = 0.0021552 k( 456) = ( 0.3333333 0.3333333 0.2894737), wk = 0.0021552 k( 457) = ( 0.3333333 0.3333333 0.3157895), wk = 0.0021552 k( 458) = ( 0.3333333 0.3333333 0.3421053), wk = 0.0021552 k( 459) = ( 0.3333333 0.3333333 0.3684211), wk = 0.0021552 k( 460) = ( 0.3333333 0.3333333 0.3947368), wk = 0.0021552 k( 461) = ( 0.3333333 0.3333333 0.4210526), wk = 0.0021552 k( 462) = ( 0.3333333 0.3333333 0.4473684), wk = 0.0021552 k( 463) = ( 0.3333333 0.3333333 0.4736842), wk = 0.0021552 k( 464) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0021552 Dense grid: 30817 G-vectors FFT dimensions: ( 27, 27, 96) Smooth grid: 12157 G-vectors FFT dimensions: ( 24, 24, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 92, 24) NL pseudopotentials 0.04 Mb ( 46, 56) Each V/rho on FFT grid 0.03 Mb ( 2187) Each G-vector array 0.01 Mb ( 860) G-vector shells 0.00 Mb ( 437) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.13 Mb ( 92, 96) Each subspace H/S matrix 0.01 Mb ( 24, 24) Each matrix 0.04 Mb ( 56, 2, 24) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./BN.save/charge-density.dat negative rho (up, down): 8.765E-05 0.000E+00 Starting wfc are 32 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 2.6 secs Computing kpt #: 3 total cpu time spent up to now is 2.8 secs Computing kpt #: 4 total cpu time spent up to now is 2.9 secs Computing kpt #: 5 total cpu time spent up to now is 3.2 secs Computing kpt #: 6 total cpu time spent up to now is 3.4 secs Computing kpt #: 7 total cpu time spent up to now is 3.7 secs Computing kpt #: 8 total cpu time spent up to now is 4.0 secs Computing kpt #: 9 total cpu time spent up to now is 4.1 secs Computing kpt #: 10 total cpu time spent up to now is 4.3 secs Computing kpt #: 11 total cpu time spent up to now is 4.4 secs Computing kpt #: 12 total cpu time spent up to now is 4.6 secs Computing kpt #: 13 total cpu time spent up to now is 4.7 secs Computing kpt #: 14 total cpu time spent up to now is 4.9 secs Computing kpt #: 15 total cpu time spent up to now is 5.0 secs Computing kpt #: 16 total cpu time spent up to now is 5.2 secs Computing kpt #: 17 total cpu time spent up to now is 5.3 secs Computing kpt #: 18 total cpu time spent up to now is 5.5 secs Computing kpt #: 19 total cpu time spent up to now is 5.6 secs Computing kpt #: 20 total cpu time spent up to now is 5.7 secs Computing kpt #: 21 total cpu time spent up to now is 5.9 secs Computing kpt #: 22 total cpu time spent up to now is 6.0 secs Computing kpt #: 23 total cpu time spent up to now is 6.1 secs Computing kpt #: 24 total cpu time spent up to now is 6.2 secs Computing kpt #: 25 total cpu time spent up to now is 6.3 secs Computing kpt #: 26 total cpu time spent up to now is 6.4 secs Computing kpt #: 27 total cpu time spent up to now is 6.5 secs Computing kpt #: 28 total cpu time spent up to now is 6.6 secs Computing kpt #: 29 total cpu time spent up to now is 6.7 secs Computing kpt #: 30 total cpu time spent up to now is 6.8 secs Computing kpt #: 31 total cpu time spent up to now is 7.0 secs Computing kpt #: 32 total cpu time spent up to now is 7.1 secs Computing kpt #: 33 total cpu time spent up to now is 7.2 secs Computing kpt #: 34 total cpu time spent up to now is 7.3 secs Computing kpt #: 35 total cpu time spent up to now is 7.4 secs Computing kpt #: 36 total cpu time spent up to now is 7.5 secs Computing kpt #: 37 total cpu time spent up to now is 7.6 secs Computing kpt #: 38 total cpu time spent up to now is 7.7 secs Computing kpt #: 39 total cpu time spent up to now is 7.8 secs Computing kpt #: 40 total cpu time spent up to now is 7.9 secs Computing kpt #: 41 total cpu time spent up to now is 8.0 secs Computing kpt #: 42 total cpu time spent up to now is 8.1 secs Computing kpt #: 43 total cpu time spent up to now is 8.2 secs Computing kpt #: 44 total cpu time spent up to now is 8.3 secs Computing kpt #: 45 total cpu time spent up to now is 8.4 secs Computing kpt #: 46 total cpu time spent up to now is 8.6 secs Computing kpt #: 47 total cpu time spent up to now is 8.7 secs Computing kpt #: 48 total cpu time spent up to now is 8.8 secs Computing kpt #: 49 total cpu time spent up to now is 8.9 secs Computing kpt #: 50 total cpu time spent up to now is 9.0 secs Computing kpt #: 51 total cpu time spent up to now is 9.1 secs Computing kpt #: 52 total cpu time spent up to now is 9.2 secs Computing kpt #: 53 total cpu time spent up to now is 9.3 secs Computing kpt #: 54 total cpu time spent up to now is 9.4 secs Computing kpt #: 55 total cpu time spent up to now is 9.4 secs Computing kpt #: 56 total cpu time spent up to now is 9.5 secs Computing kpt #: 57 total cpu time spent up to now is 9.6 secs Computing kpt #: 58 total cpu time spent up to now is 9.7 secs Computing kpt #: 59 total cpu time spent up to now is 9.8 secs Computing kpt #: 60 total cpu time spent up to now is 9.9 secs Computing kpt #: 61 total cpu time spent up to now is 10.0 secs Computing kpt #: 62 total cpu time spent up to now is 10.1 secs Computing kpt #: 63 total cpu time spent up to now is 10.2 secs Computing kpt #: 64 total cpu time spent up to now is 10.3 secs Computing kpt #: 65 total cpu time spent up to now is 10.4 secs Computing kpt #: 66 total cpu time spent up to now is 10.5 secs Computing kpt #: 67 total cpu time spent up to now is 10.5 secs Computing kpt #: 68 total cpu time spent up to now is 10.6 secs Computing kpt #: 69 total cpu time spent up to now is 10.7 secs Computing kpt #: 70 total cpu time spent up to now is 10.8 secs Computing kpt #: 71 total cpu time spent up to now is 10.9 secs Computing kpt #: 72 total cpu time spent up to now is 10.9 secs Computing kpt #: 73 total cpu time spent up to now is 11.0 secs Computing kpt #: 74 total cpu time spent up to now is 11.1 secs Computing kpt #: 75 total cpu time spent up to now is 11.2 secs Computing kpt #: 76 total cpu time spent up to now is 11.3 secs Computing kpt #: 77 total cpu time spent up to now is 11.3 secs Computing kpt #: 78 total cpu time spent up to now is 11.4 secs Computing kpt #: 79 total cpu time spent up to now is 11.5 secs Computing kpt #: 80 total cpu time spent up to now is 11.6 secs Computing kpt #: 81 total cpu time spent up to now is 11.6 secs Computing kpt #: 82 total cpu time spent up to now is 11.7 secs Computing kpt #: 83 total cpu time spent up to now is 11.8 secs Computing kpt #: 84 total cpu time spent up to now is 11.9 secs Computing kpt #: 85 total cpu time spent up to now is 12.0 secs Computing kpt #: 86 total cpu time spent up to now is 12.0 secs Computing kpt #: 87 total cpu time spent up to now is 12.1 secs Computing kpt #: 88 total cpu time spent up to now is 12.2 secs Computing kpt #: 89 total cpu time spent up to now is 12.3 secs Computing kpt #: 90 total cpu time spent up to now is 12.4 secs Computing kpt #: 91 total cpu time spent up to now is 12.4 secs Computing kpt #: 92 total cpu time spent up to now is 12.5 secs Computing kpt #: 93 total cpu time spent up to now is 12.6 secs Computing kpt #: 94 total cpu time spent up to now is 12.7 secs Computing kpt #: 95 total cpu time spent up to now is 12.8 secs Computing kpt #: 96 total cpu time spent up to now is 12.9 secs Computing kpt #: 97 total cpu time spent up to now is 13.0 secs Computing kpt #: 98 total cpu time spent up to now is 13.1 secs Computing kpt #: 99 total cpu time spent up to now is 13.2 secs Computing kpt #: 100 total cpu time spent up to now is 13.3 secs Computing kpt #: 101 total cpu time spent up to now is 13.4 secs Computing kpt #: 102 total cpu time spent up to now is 13.5 secs Computing kpt #: 103 total cpu time spent up to now is 13.6 secs Computing kpt #: 104 total cpu time spent up to now is 13.7 secs Computing kpt #: 105 total cpu time spent up to now is 13.8 secs Computing kpt #: 106 total cpu time spent up to now is 13.9 secs Computing kpt #: 107 total cpu time spent up to now is 14.0 secs Computing kpt #: 108 total cpu time spent up to now is 14.1 secs Computing kpt #: 109 total cpu time spent up to now is 14.2 secs Computing kpt #: 110 total cpu time spent up to now is 14.4 secs Computing kpt #: 111 total cpu time spent up to now is 14.6 secs Computing kpt #: 112 total cpu time spent up to now is 14.7 secs Computing kpt #: 113 total cpu time spent up to now is 14.9 secs Computing kpt #: 114 total cpu time spent up to now is 15.0 secs Computing kpt #: 115 total cpu time spent up to now is 15.1 secs Computing kpt #: 116 total cpu time spent up to now is 15.3 secs Computing kpt #: 117 total cpu time spent up to now is 15.4 secs Computing kpt #: 118 total cpu time spent up to now is 15.5 secs Computing kpt #: 119 total cpu time spent up to now is 15.7 secs Computing kpt #: 120 total cpu time spent up to now is 15.8 secs Computing kpt #: 121 total cpu time spent up to now is 15.9 secs Computing kpt #: 122 total cpu time spent up to now is 16.1 secs Computing kpt #: 123 total cpu time spent up to now is 16.3 secs Computing kpt #: 124 total cpu time spent up to now is 16.5 secs Computing kpt #: 125 total cpu time spent up to now is 16.6 secs Computing kpt #: 126 total cpu time spent up to now is 16.8 secs Computing kpt #: 127 total cpu time spent up to now is 17.0 secs Computing kpt #: 128 total cpu time spent up to now is 17.1 secs Computing kpt #: 129 total cpu time spent up to now is 17.3 secs Computing kpt #: 130 total cpu time spent up to now is 17.4 secs Computing kpt #: 131 total cpu time spent up to now is 17.6 secs Computing kpt #: 132 total cpu time spent up to now is 17.7 secs Computing kpt #: 133 total cpu time spent up to now is 17.8 secs Computing kpt #: 134 total cpu time spent up to now is 18.0 secs Computing kpt #: 135 total cpu time spent up to now is 18.1 secs Computing kpt #: 136 total cpu time spent up to now is 18.3 secs Computing kpt #: 137 total cpu time spent up to now is 18.4 secs Computing kpt #: 138 total cpu time spent up to now is 18.5 secs Computing kpt #: 139 total cpu time spent up to now is 18.6 secs Computing kpt #: 140 total cpu time spent up to now is 18.8 secs Computing kpt #: 141 total cpu time spent up to now is 18.9 secs Computing kpt #: 142 total cpu time spent up to now is 19.0 secs Computing kpt #: 143 total cpu time spent up to now is 19.2 secs Computing kpt #: 144 total cpu time spent up to now is 19.3 secs Computing kpt #: 145 total cpu time spent up to now is 19.4 secs Computing kpt #: 146 total cpu time spent up to now is 19.5 secs Computing kpt #: 147 total cpu time spent up to now is 19.7 secs Computing kpt #: 148 total cpu time spent up to now is 19.8 secs Computing kpt #: 149 total cpu time spent up to now is 19.9 secs Computing kpt #: 150 total cpu time spent up to now is 20.0 secs Computing kpt #: 151 total cpu time spent up to now is 20.1 secs Computing kpt #: 152 total cpu time spent up to now is 20.3 secs Computing kpt #: 153 total cpu time spent up to now is 20.4 secs Computing kpt #: 154 total cpu time spent up to now is 20.6 secs Computing kpt #: 155 total cpu time spent up to now is 20.7 secs Computing kpt #: 156 total cpu time spent up to now is 20.9 secs Computing kpt #: 157 total cpu time spent up to now is 21.0 secs Computing kpt #: 158 total cpu time spent up to now is 21.1 secs Computing kpt #: 159 total cpu time spent up to now is 21.3 secs Computing kpt #: 160 total cpu time spent up to now is 21.5 secs Computing kpt #: 161 total cpu time spent up to now is 21.7 secs Computing kpt #: 162 total cpu time spent up to now is 21.8 secs Computing kpt #: 163 total cpu time spent up to now is 21.9 secs Computing kpt #: 164 total cpu time spent up to now is 22.0 secs Computing kpt #: 165 total cpu time spent up to now is 22.1 secs Computing kpt #: 166 total cpu time spent up to now is 22.2 secs Computing kpt #: 167 total cpu time spent up to now is 22.3 secs Computing kpt #: 168 total cpu time spent up to now is 22.4 secs Computing kpt #: 169 total cpu time spent up to now is 22.5 secs Computing kpt #: 170 total cpu time spent up to now is 22.6 secs Computing kpt #: 171 total cpu time spent up to now is 22.7 secs Computing kpt #: 172 total cpu time spent up to now is 22.8 secs Computing kpt #: 173 total cpu time spent up to now is 22.9 secs Computing kpt #: 174 total cpu time spent up to now is 23.0 secs Computing kpt #: 175 total cpu time spent up to now is 23.1 secs Computing kpt #: 176 total cpu time spent up to now is 23.2 secs Computing kpt #: 177 total cpu time spent up to now is 23.3 secs Computing kpt #: 178 total cpu time spent up to now is 23.4 secs Computing kpt #: 179 total cpu time spent up to now is 23.5 secs Computing kpt #: 180 total cpu time spent up to now is 23.6 secs Computing kpt #: 181 total cpu time spent up to now is 23.7 secs Computing kpt #: 182 total cpu time spent up to now is 23.8 secs Computing kpt #: 183 total cpu time spent up to now is 23.9 secs Computing kpt #: 184 total cpu time spent up to now is 24.0 secs Computing kpt #: 185 total cpu time spent up to now is 24.2 secs Computing kpt #: 186 total cpu time spent up to now is 24.3 secs Computing kpt #: 187 total cpu time spent up to now is 24.5 secs Computing kpt #: 188 total cpu time spent up to now is 24.6 secs Computing kpt #: 189 total cpu time spent up to now is 24.8 secs Computing kpt #: 190 total cpu time spent up to now is 24.9 secs Computing kpt #: 191 total cpu time spent up to now is 25.1 secs Computing kpt #: 192 total cpu time spent up to now is 25.2 secs Computing kpt #: 193 total cpu time spent up to now is 25.4 secs Computing kpt #: 194 total cpu time spent up to now is 25.6 secs Computing kpt #: 195 total cpu time spent up to now is 25.8 secs Computing kpt #: 196 total cpu time spent up to now is 25.9 secs Computing kpt #: 197 total cpu time spent up to now is 26.1 secs Computing kpt #: 198 total cpu time spent up to now is 26.3 secs Computing kpt #: 199 total cpu time spent up to now is 26.5 secs Computing kpt #: 200 total cpu time spent up to now is 26.7 secs Computing kpt #: 201 total cpu time spent up to now is 26.9 secs Computing kpt #: 202 total cpu time spent up to now is 27.1 secs Computing kpt #: 203 total cpu time spent up to now is 27.3 secs Computing kpt #: 204 total cpu time spent up to now is 27.5 secs Computing kpt #: 205 total cpu time spent up to now is 27.7 secs Computing kpt #: 206 total cpu time spent up to now is 27.9 secs Computing kpt #: 207 total cpu time spent up to now is 28.2 secs Computing kpt #: 208 total cpu time spent up to now is 28.4 secs Computing kpt #: 209 total cpu time spent up to now is 28.8 secs Computing kpt #: 210 total cpu time spent up to now is 29.0 secs Computing kpt #: 211 total cpu time spent up to now is 29.3 secs Computing kpt #: 212 total cpu time spent up to now is 29.6 secs Computing kpt #: 213 total cpu time spent up to now is 29.8 secs Computing kpt #: 214 total cpu time spent up to now is 30.0 secs Computing kpt #: 215 total cpu time spent up to now is 30.2 secs Computing kpt #: 216 total cpu time spent up to now is 30.4 secs Computing kpt #: 217 total cpu time spent up to now is 30.6 secs Computing kpt #: 218 total cpu time spent up to now is 30.7 secs Computing kpt #: 219 total cpu time spent up to now is 30.9 secs Computing kpt #: 220 total cpu time spent up to now is 31.1 secs Computing kpt #: 221 total cpu time spent up to now is 31.2 secs Computing kpt #: 222 total cpu time spent up to now is 31.3 secs Computing kpt #: 223 total cpu time spent up to now is 31.4 secs Computing kpt #: 224 total cpu time spent up to now is 31.5 secs Computing kpt #: 225 total cpu time spent up to now is 31.6 secs Computing kpt #: 226 total cpu time spent up to now is 31.7 secs Computing kpt #: 227 total cpu time spent up to now is 31.9 secs Computing kpt #: 228 total cpu time spent up to now is 32.0 secs Computing kpt #: 229 total cpu time spent up to now is 32.1 secs Computing kpt #: 230 total cpu time spent up to now is 32.3 secs Computing kpt #: 231 total cpu time spent up to now is 32.4 secs Computing kpt #: 232 total cpu time spent up to now is 32.5 secs Computing kpt #: 233 total cpu time spent up to now is 32.6 secs Computing kpt #: 234 total cpu time spent up to now is 32.8 secs Computing kpt #: 235 total cpu time spent up to now is 32.9 secs Computing kpt #: 236 total cpu time spent up to now is 33.0 secs Computing kpt #: 237 total cpu time spent up to now is 33.1 secs Computing kpt #: 238 total cpu time spent up to now is 33.3 secs Computing kpt #: 239 total cpu time spent up to now is 33.4 secs Computing kpt #: 240 total cpu time spent up to now is 33.5 secs Computing kpt #: 241 total cpu time spent up to now is 33.6 secs Computing kpt #: 242 total cpu time spent up to now is 33.7 secs Computing kpt #: 243 total cpu time spent up to now is 33.9 secs Computing kpt #: 244 total cpu time spent up to now is 34.0 secs Computing kpt #: 245 total cpu time spent up to now is 34.1 secs Computing kpt #: 246 total cpu time spent up to now is 34.2 secs Computing kpt #: 247 total cpu time spent up to now is 34.3 secs Computing kpt #: 248 total cpu time spent up to now is 34.4 secs Computing kpt #: 249 total cpu time spent up to now is 34.5 secs Computing kpt #: 250 total cpu time spent up to now is 34.6 secs Computing kpt #: 251 total cpu time spent up to now is 34.7 secs Computing kpt #: 252 total cpu time spent up to now is 34.8 secs Computing kpt #: 253 total cpu time spent up to now is 34.9 secs Computing kpt #: 254 total cpu time spent up to now is 35.1 secs Computing kpt #: 255 total cpu time spent up to now is 35.2 secs Computing kpt #: 256 total cpu time spent up to now is 35.3 secs Computing kpt #: 257 total cpu time spent up to now is 35.4 secs Computing kpt #: 258 total cpu time spent up to now is 35.5 secs Computing kpt #: 259 total cpu time spent up to now is 35.6 secs Computing kpt #: 260 total cpu time spent up to now is 35.7 secs Computing kpt #: 261 total cpu time spent up to now is 35.8 secs Computing kpt #: 262 total cpu time spent up to now is 35.9 secs Computing kpt #: 263 total cpu time spent up to now is 36.0 secs Computing kpt #: 264 total cpu time spent up to now is 36.1 secs Computing kpt #: 265 total cpu time spent up to now is 36.2 secs Computing kpt #: 266 total cpu time spent up to now is 36.3 secs Computing kpt #: 267 total cpu time spent up to now is 36.4 secs Computing kpt #: 268 total cpu time spent up to now is 36.5 secs Computing kpt #: 269 total cpu time spent up to now is 36.6 secs Computing kpt #: 270 total cpu time spent up to now is 36.7 secs Computing kpt #: 271 total cpu time spent up to now is 36.8 secs Computing kpt #: 272 total cpu time spent up to now is 36.9 secs Computing kpt #: 273 total cpu time spent up to now is 37.0 secs Computing kpt #: 274 total cpu time spent up to now is 37.0 secs Computing kpt #: 275 total cpu time spent up to now is 37.1 secs Computing kpt #: 276 total cpu time spent up to now is 37.2 secs Computing kpt #: 277 total cpu time spent up to now is 37.3 secs Computing kpt #: 278 total cpu time spent up to now is 37.4 secs Computing kpt #: 279 total cpu time spent up to now is 37.5 secs Computing kpt #: 280 total cpu time spent up to now is 37.6 secs Computing kpt #: 281 total cpu time spent up to now is 37.7 secs Computing kpt #: 282 total cpu time spent up to now is 37.8 secs Computing kpt #: 283 total cpu time spent up to now is 37.9 secs Computing kpt #: 284 total cpu time spent up to now is 37.9 secs Computing kpt #: 285 total cpu time spent up to now is 38.0 secs Computing kpt #: 286 total cpu time spent up to now is 38.1 secs Computing kpt #: 287 total cpu time spent up to now is 38.2 secs Computing kpt #: 288 total cpu time spent up to now is 38.3 secs Computing kpt #: 289 total cpu time spent up to now is 38.4 secs Computing kpt #: 290 total cpu time spent up to now is 38.4 secs Computing kpt #: 291 total cpu time spent up to now is 38.5 secs Computing kpt #: 292 total cpu time spent up to now is 38.6 secs Computing kpt #: 293 total cpu time spent up to now is 38.7 secs Computing kpt #: 294 total cpu time spent up to now is 38.7 secs Computing kpt #: 295 total cpu time spent up to now is 38.8 secs Computing kpt #: 296 total cpu time spent up to now is 38.9 secs Computing kpt #: 297 total cpu time spent up to now is 39.0 secs Computing kpt #: 298 total cpu time spent up to now is 39.0 secs Computing kpt #: 299 total cpu time spent up to now is 39.1 secs Computing kpt #: 300 total cpu time spent up to now is 39.2 secs Computing kpt #: 301 total cpu time spent up to now is 39.3 secs Computing kpt #: 302 total cpu time spent up to now is 39.4 secs Computing kpt #: 303 total cpu time spent up to now is 39.4 secs Computing kpt #: 304 total cpu time spent up to now is 39.5 secs Computing kpt #: 305 total cpu time spent up to now is 39.6 secs Computing kpt #: 306 total cpu time spent up to now is 39.7 secs Computing kpt #: 307 total cpu time spent up to now is 39.7 secs Computing kpt #: 308 total cpu time spent up to now is 39.8 secs Computing kpt #: 309 total cpu time spent up to now is 39.9 secs Computing kpt #: 310 total cpu time spent up to now is 40.0 secs Computing kpt #: 311 total cpu time spent up to now is 40.1 secs Computing kpt #: 312 total cpu time spent up to now is 40.1 secs Computing kpt #: 313 total cpu time spent up to now is 40.2 secs Computing kpt #: 314 total cpu time spent up to now is 40.3 secs Computing kpt #: 315 total cpu time spent up to now is 40.4 secs Computing kpt #: 316 total cpu time spent up to now is 40.5 secs Computing kpt #: 317 total cpu time spent up to now is 40.6 secs Computing kpt #: 318 total cpu time spent up to now is 40.6 secs Computing kpt #: 319 total cpu time spent up to now is 40.7 secs Computing kpt #: 320 total cpu time spent up to now is 40.8 secs Computing kpt #: 321 total cpu time spent up to now is 40.9 secs Computing kpt #: 322 total cpu time spent up to now is 41.0 secs Computing kpt #: 323 total cpu time spent up to now is 41.1 secs Computing kpt #: 324 total cpu time spent up to now is 41.2 secs Computing kpt #: 325 total cpu time spent up to now is 41.3 secs Computing kpt #: 326 total cpu time spent up to now is 41.4 secs Computing kpt #: 327 total cpu time spent up to now is 41.5 secs Computing kpt #: 328 total cpu time spent up to now is 41.6 secs Computing kpt #: 329 total cpu time spent up to now is 41.7 secs Computing kpt #: 330 total cpu time spent up to now is 41.8 secs Computing kpt #: 331 total cpu time spent up to now is 41.9 secs Computing kpt #: 332 total cpu time spent up to now is 41.9 secs Computing kpt #: 333 total cpu time spent up to now is 42.0 secs Computing kpt #: 334 total cpu time spent up to now is 42.1 secs Computing kpt #: 335 total cpu time spent up to now is 42.2 secs Computing kpt #: 336 total cpu time spent up to now is 42.3 secs Computing kpt #: 337 total cpu time spent up to now is 42.4 secs Computing kpt #: 338 total cpu time spent up to now is 42.5 secs Computing kpt #: 339 total cpu time spent up to now is 42.6 secs Computing kpt #: 340 total cpu time spent up to now is 42.7 secs Computing kpt #: 341 total cpu time spent up to now is 42.8 secs Computing kpt #: 342 total cpu time spent up to now is 42.9 secs Computing kpt #: 343 total cpu time spent up to now is 43.0 secs Computing kpt #: 344 total cpu time spent up to now is 43.1 secs Computing kpt #: 345 total cpu time spent up to now is 43.2 secs Computing kpt #: 346 total cpu time spent up to now is 43.3 secs Computing kpt #: 347 total cpu time spent up to now is 43.4 secs Computing kpt #: 348 total cpu time spent up to now is 43.5 secs Computing kpt #: 349 total cpu time spent up to now is 43.6 secs Computing kpt #: 350 total cpu time spent up to now is 43.7 secs Computing kpt #: 351 total cpu time spent up to now is 43.7 secs Computing kpt #: 352 total cpu time spent up to now is 43.8 secs Computing kpt #: 353 total cpu time spent up to now is 43.9 secs Computing kpt #: 354 total cpu time spent up to now is 44.0 secs Computing kpt #: 355 total cpu time spent up to now is 44.1 secs Computing kpt #: 356 total cpu time spent up to now is 44.2 secs Computing kpt #: 357 total cpu time spent up to now is 44.3 secs Computing kpt #: 358 total cpu time spent up to now is 44.4 secs Computing kpt #: 359 total cpu time spent up to now is 44.5 secs Computing kpt #: 360 total cpu time spent up to now is 44.5 secs Computing kpt #: 361 total cpu time spent up to now is 44.6 secs Computing kpt #: 362 total cpu time spent up to now is 44.7 secs Computing kpt #: 363 total cpu time spent up to now is 44.8 secs Computing kpt #: 364 total cpu time spent up to now is 44.9 secs Computing kpt #: 365 total cpu time spent up to now is 45.0 secs Computing kpt #: 366 total cpu time spent up to now is 45.1 secs Computing kpt #: 367 total cpu time spent up to now is 45.1 secs Computing kpt #: 368 total cpu time spent up to now is 45.2 secs Computing kpt #: 369 total cpu time spent up to now is 45.3 secs Computing kpt #: 370 total cpu time spent up to now is 45.4 secs Computing kpt #: 371 total cpu time spent up to now is 45.5 secs Computing kpt #: 372 total cpu time spent up to now is 45.6 secs Computing kpt #: 373 total cpu time spent up to now is 45.7 secs Computing kpt #: 374 total cpu time spent up to now is 45.7 secs Computing kpt #: 375 total cpu time spent up to now is 45.8 secs Computing kpt #: 376 total cpu time spent up to now is 45.9 secs Computing kpt #: 377 total cpu time spent up to now is 46.0 secs Computing kpt #: 378 total cpu time spent up to now is 46.1 secs Computing kpt #: 379 total cpu time spent up to now is 46.2 secs Computing kpt #: 380 total cpu time spent up to now is 46.3 secs Computing kpt #: 381 total cpu time spent up to now is 46.4 secs Computing kpt #: 382 total cpu time spent up to now is 46.5 secs Computing kpt #: 383 total cpu time spent up to now is 46.6 secs Computing kpt #: 384 total cpu time spent up to now is 46.7 secs Computing kpt #: 385 total cpu time spent up to now is 46.8 secs Computing kpt #: 386 total cpu time spent up to now is 46.9 secs Computing kpt #: 387 total cpu time spent up to now is 47.0 secs Computing kpt #: 388 total cpu time spent up to now is 47.1 secs Computing kpt #: 389 total cpu time spent up to now is 47.2 secs Computing kpt #: 390 total cpu time spent up to now is 47.3 secs Computing kpt #: 391 total cpu time spent up to now is 47.4 secs Computing kpt #: 392 total cpu time spent up to now is 47.5 secs Computing kpt #: 393 total cpu time spent up to now is 47.6 secs Computing kpt #: 394 total cpu time spent up to now is 47.7 secs Computing kpt #: 395 total cpu time spent up to now is 47.8 secs Computing kpt #: 396 total cpu time spent up to now is 47.9 secs Computing kpt #: 397 total cpu time spent up to now is 48.0 secs Computing kpt #: 398 total cpu time spent up to now is 48.2 secs Computing kpt #: 399 total cpu time spent up to now is 48.3 secs Computing kpt #: 400 total cpu time spent up to now is 48.4 secs Computing kpt #: 401 total cpu time spent up to now is 48.5 secs Computing kpt #: 402 total cpu time spent up to now is 48.6 secs Computing kpt #: 403 total cpu time spent up to now is 48.7 secs Computing kpt #: 404 total cpu time spent up to now is 48.8 secs Computing kpt #: 405 total cpu time spent up to now is 49.0 secs Computing kpt #: 406 total cpu time spent up to now is 49.1 secs Computing kpt #: 407 total cpu time spent up to now is 49.2 secs Computing kpt #: 408 total cpu time spent up to now is 49.3 secs Computing kpt #: 409 total cpu time spent up to now is 49.4 secs Computing kpt #: 410 total cpu time spent up to now is 49.6 secs Computing kpt #: 411 total cpu time spent up to now is 49.7 secs Computing kpt #: 412 total cpu time spent up to now is 49.8 secs Computing kpt #: 413 total cpu time spent up to now is 49.9 secs Computing kpt #: 414 total cpu time spent up to now is 50.0 secs Computing kpt #: 415 total cpu time spent up to now is 50.2 secs Computing kpt #: 416 total cpu time spent up to now is 50.3 secs Computing kpt #: 417 total cpu time spent up to now is 50.4 secs Computing kpt #: 418 total cpu time spent up to now is 50.5 secs Computing kpt #: 419 total cpu time spent up to now is 50.7 secs Computing kpt #: 420 total cpu time spent up to now is 50.8 secs Computing kpt #: 421 total cpu time spent up to now is 50.9 secs Computing kpt #: 422 total cpu time spent up to now is 51.1 secs Computing kpt #: 423 total cpu time spent up to now is 51.2 secs Computing kpt #: 424 total cpu time spent up to now is 51.3 secs Computing kpt #: 425 total cpu time spent up to now is 51.3 secs Computing kpt #: 426 total cpu time spent up to now is 51.4 secs Computing kpt #: 427 total cpu time spent up to now is 51.5 secs Computing kpt #: 428 total cpu time spent up to now is 51.6 secs Computing kpt #: 429 total cpu time spent up to now is 51.6 secs Computing kpt #: 430 total cpu time spent up to now is 51.7 secs Computing kpt #: 431 total cpu time spent up to now is 51.8 secs Computing kpt #: 432 total cpu time spent up to now is 51.9 secs Computing kpt #: 433 total cpu time spent up to now is 51.9 secs Computing kpt #: 434 total cpu time spent up to now is 52.0 secs Computing kpt #: 435 total cpu time spent up to now is 52.1 secs Computing kpt #: 436 total cpu time spent up to now is 52.2 secs Computing kpt #: 437 total cpu time spent up to now is 52.3 secs Computing kpt #: 438 total cpu time spent up to now is 52.3 secs Computing kpt #: 439 total cpu time spent up to now is 52.4 secs Computing kpt #: 440 total cpu time spent up to now is 52.5 secs Computing kpt #: 441 total cpu time spent up to now is 52.6 secs Computing kpt #: 442 total cpu time spent up to now is 52.6 secs Computing kpt #: 443 total cpu time spent up to now is 52.7 secs Computing kpt #: 444 total cpu time spent up to now is 52.8 secs Computing kpt #: 445 total cpu time spent up to now is 52.9 secs Computing kpt #: 446 total cpu time spent up to now is 53.0 secs Computing kpt #: 447 total cpu time spent up to now is 53.2 secs Computing kpt #: 448 total cpu time spent up to now is 53.3 secs Computing kpt #: 449 total cpu time spent up to now is 53.4 secs Computing kpt #: 450 total cpu time spent up to now is 53.5 secs Computing kpt #: 451 total cpu time spent up to now is 53.6 secs Computing kpt #: 452 total cpu time spent up to now is 53.7 secs Computing kpt #: 453 total cpu time spent up to now is 53.8 secs Computing kpt #: 454 total cpu time spent up to now is 53.9 secs Computing kpt #: 455 total cpu time spent up to now is 54.0 secs Computing kpt #: 456 total cpu time spent up to now is 54.1 secs Computing kpt #: 457 total cpu time spent up to now is 54.2 secs Computing kpt #: 458 total cpu time spent up to now is 54.3 secs Computing kpt #: 459 total cpu time spent up to now is 54.4 secs Computing kpt #: 460 total cpu time spent up to now is 54.5 secs Computing kpt #: 461 total cpu time spent up to now is 54.6 secs Computing kpt #: 462 total cpu time spent up to now is 54.7 secs Computing kpt #: 463 total cpu time spent up to now is 54.8 secs Computing kpt #: 464 total cpu time spent up to now is 54.9 secs ethr = 6.25E-08, avg # of iterations = 19.3 total cpu time spent up to now is 54.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1497 PWs) bands (ev): -15.1342 -15.1342 -15.0958 -15.0958 -2.9772 -2.9772 -2.3963 -2.3963 1.1143 1.1143 1.1166 1.1166 1.1273 1.1273 1.1296 1.1296 6.8610 6.8610 10.1715 10.1715 12.4375 12.4375 14.0363 14.0364 k = 0.0068 0.0040-0.0000 ( 1497 PWs) bands (ev): -15.1333 -15.1333 -15.0949 -15.0949 -2.9760 -2.9760 -2.3951 -2.3951 1.1113 1.1113 1.1136 1.1136 1.1244 1.1244 1.1268 1.1268 6.8627 6.8627 10.1723 10.1723 12.4394 12.4394 14.0376 14.0376 k = 0.0137 0.0079-0.0000 ( 1501 PWs) bands (ev): -15.1306 -15.1306 -15.0922 -15.0922 -2.9723 -2.9723 -2.3916 -2.3916 1.1012 1.1012 1.1038 1.1038 1.1169 1.1169 1.1193 1.1193 6.8677 6.8677 10.1746 10.1746 12.4451 12.4451 14.0380 14.0380 k = 0.0205 0.0119-0.0000 ( 1505 PWs) bands (ev): -15.1261 -15.1261 -15.0878 -15.0878 -2.9662 -2.9662 -2.3857 -2.3857 1.0828 1.0828 1.0856 1.0856 1.1062 1.1062 1.1087 1.1087 6.8760 6.8760 10.1783 10.1783 12.4545 12.4545 14.0370 14.0370 k = 0.0274 0.0158-0.0000 ( 1509 PWs) bands (ev): -15.1198 -15.1198 -15.0815 -15.0815 -2.9576 -2.9576 -2.3774 -2.3774 1.0558 1.0558 1.0590 1.0590 1.0928 1.0928 1.0951 1.0951 6.8876 6.8876 10.1836 10.1836 12.4674 12.4674 14.0348 14.0348 k = 0.0342 0.0198-0.0000 ( 1505 PWs) bands (ev): -15.1118 -15.1118 -15.0735 -15.0735 -2.9466 -2.9466 -2.3668 -2.3668 1.0208 1.0208 1.0245 1.0245 1.0762 1.0762 1.0786 1.0786 6.9025 6.9025 10.1903 10.1903 12.4837 12.4837 14.0304 14.0304 k = 0.0411 0.0237-0.0000 ( 1503 PWs) bands (ev): -15.1019 -15.1019 -15.0637 -15.0637 -2.9331 -2.9331 -2.3539 -2.3539 0.9780 0.9780 0.9823 0.9823 1.0563 1.0563 1.0587 1.0587 6.9206 6.9206 10.1985 10.1985 12.5031 12.5031 14.0232 14.0232 k = 0.0479 0.0277-0.0000 ( 1507 PWs) bands (ev): -15.0903 -15.0903 -15.0522 -15.0522 -2.9172 -2.9172 -2.3386 -2.3386 0.9276 0.9276 0.9328 0.9328 1.0331 1.0331 1.0356 1.0356 6.9418 6.9418 10.2081 10.2081 12.5254 12.5254 14.0136 14.0136 k = 0.0548 0.0316-0.0000 ( 1513 PWs) bands (ev): -15.0769 -15.0769 -15.0389 -15.0389 -2.8988 -2.8988 -2.3210 -2.3210 0.8700 0.8700 0.8760 0.8760 1.0067 1.0067 1.0093 1.0093 6.9662 6.9662 10.2190 10.2190 12.5501 12.5501 14.0023 14.0023 k = 0.0616 0.0356-0.0000 ( 1511 PWs) bands (ev): -15.0617 -15.0617 -15.0238 -15.0238 -2.8781 -2.8781 -2.3010 -2.3010 0.8056 0.8056 0.8124 0.8124 0.9772 0.9772 0.9799 0.9799 6.9936 6.9936 10.2311 10.2311 12.5769 12.5769 13.9895 13.9895 k = 0.0685 0.0395-0.0000 ( 1505 PWs) bands (ev): -15.0448 -15.0448 -15.0069 -15.0069 -2.8549 -2.8549 -2.2787 -2.2787 0.7344 0.7344 0.7421 0.7421 0.9448 0.9448 0.9475 0.9475 7.0240 7.0240 10.2445 10.2445 12.6053 12.6053 13.9754 13.9754 k = 0.0753 0.0435-0.0000 ( 1505 PWs) bands (ev): -15.0261 -15.0261 -14.9883 -14.9883 -2.8293 -2.8293 -2.2541 -2.2541 0.6569 0.6569 0.6654 0.6654 0.9095 0.9095 0.9122 0.9122 7.0573 7.0573 10.2591 10.2591 12.6348 12.6348 13.9601 13.9601 k = 0.0822 0.0475-0.0000 ( 1505 PWs) bands (ev): -15.0056 -15.0056 -14.9680 -14.9680 -2.8012 -2.8012 -2.2272 -2.2272 0.5731 0.5731 0.5826 0.5826 0.8714 0.8714 0.8743 0.8743 7.0935 7.0935 10.2747 10.2747 12.6648 12.6648 13.9436 13.9436 k = 0.0890 0.0514-0.0000 ( 1505 PWs) bands (ev): -14.9834 -14.9834 -14.9459 -14.9459 -2.7708 -2.7708 -2.1979 -2.1979 0.4835 0.4835 0.4938 0.4938 0.8308 0.8308 0.8338 0.8338 7.1326 7.1326 10.2913 10.2913 12.6948 12.6948 13.9262 13.9262 k = 0.0959 0.0554-0.0000 ( 1505 PWs) bands (ev): -14.9595 -14.9595 -14.9221 -14.9221 -2.7380 -2.7380 -2.1664 -2.1664 0.3884 0.3884 0.3995 0.3995 0.7878 0.7878 0.7909 0.7909 7.1744 7.1744 10.3087 10.3087 12.7242 12.7242 13.9078 13.9079 k = 0.1027 0.0593-0.0000 ( 1511 PWs) bands (ev): -14.9338 -14.9338 -14.8966 -14.8966 -2.7027 -2.7027 -2.1327 -2.1327 0.2879 0.2879 0.2998 0.2998 0.7425 0.7425 0.7455 0.7455 7.2189 7.2189 10.3269 10.3269 12.7524 12.7524 13.8887 13.8887 k = 0.1096 0.0633-0.0000 ( 1511 PWs) bands (ev): -14.9064 -14.9064 -14.8694 -14.8694 -2.6652 -2.6652 -2.0966 -2.0966 0.1825 0.1825 0.1953 0.1953 0.6951 0.6951 0.6982 0.6982 7.2660 7.2660 10.3456 10.3456 12.7787 12.7787 13.8687 13.8688 k = 0.1164 0.0672-0.0000 ( 1511 PWs) bands (ev): -14.8773 -14.8773 -14.8404 -14.8404 -2.6252 -2.6252 -2.0583 -2.0583 0.0725 0.0725 0.0860 0.0860 0.6458 0.6458 0.6490 0.6490 7.3158 7.3158 10.3647 10.3647 12.8027 12.8027 13.8482 13.8482 k = 0.1233 0.0712-0.0000 ( 1511 PWs) bands (ev): -14.8465 -14.8465 -14.8098 -14.8098 -2.5829 -2.5829 -2.0177 -2.0177 -0.0420 -0.0420 -0.0277 -0.0277 0.5949 0.5949 0.5980 0.5980 7.3682 7.3682 10.3840 10.3840 12.8239 12.8239 13.8270 13.8270 k = 0.1301 0.0751-0.0000 ( 1507 PWs) bands (ev): -14.8141 -14.8141 -14.7775 -14.7775 -2.5382 -2.5382 -1.9750 -1.9750 -0.1606 -0.1606 -0.1456 -0.1456 0.5422 0.5422 0.5455 0.5455 7.4230 7.4230 10.4033 10.4033 12.8421 12.8421 13.8054 13.8054 k = 0.1370 0.0791-0.0000 ( 1511 PWs) bands (ev): -14.7799 -14.7799 -14.7436 -14.7436 -2.4913 -2.4913 -1.9300 -1.9300 -0.2829 -0.2829 -0.2673 -0.2673 0.4881 0.4881 0.4914 0.4914 7.4804 7.4804 10.4223 10.4223 12.8570 12.8570 13.7832 13.7832 k = 0.1438 0.0830-0.0000 ( 1511 PWs) bands (ev): -14.7441 -14.7441 -14.7080 -14.7080 -2.4421 -2.4421 -1.8828 -1.8828 -0.4088 -0.4088 -0.3925 -0.3925 0.4328 0.4328 0.4361 0.4361 7.5403 7.5403 10.4408 10.4408 12.8684 12.8684 13.7414 13.7414 k = 0.1507 0.0870-0.0000 ( 1513 PWs) bands (ev): -14.7067 -14.7067 -14.6708 -14.6708 -2.3905 -2.3905 -1.8335 -1.8335 -0.5381 -0.5381 -0.5210 -0.5210 0.3763 0.3763 0.3797 0.3797 7.6026 7.6026 10.4586 10.4586 12.8765 12.8765 13.6413 13.6413 k = 0.1575 0.0910-0.0000 ( 1513 PWs) bands (ev): -14.6676 -14.6676 -14.6319 -14.6319 -2.3367 -2.3367 -1.7820 -1.7820 -0.6703 -0.6703 -0.6526 -0.6526 0.3189 0.3189 0.3224 0.3224 7.6673 7.6673 10.4752 10.4752 12.8813 12.8813 13.5372 13.5372 k = 0.1644 0.0949-0.0000 ( 1513 PWs) bands (ev): -14.6270 -14.6270 -14.5915 -14.5915 -2.2807 -2.2807 -1.7283 -1.7283 -0.8051 -0.8051 -0.7870 -0.7870 0.2606 0.2606 0.2642 0.2642 7.7344 7.7344 10.4903 10.4903 12.8830 12.8830 13.4292 13.4292 k = 0.1712 0.0989-0.0000 ( 1517 PWs) bands (ev): -14.5848 -14.5848 -14.5495 -14.5495 -2.2224 -2.2224 -1.6726 -1.6726 -0.9426 -0.9426 -0.9238 -0.9238 0.2016 0.2016 0.2053 0.2053 7.8039 7.8039 10.5034 10.5034 12.8818 12.8818 13.3176 13.3176 k = 0.1781 0.1028-0.0000 ( 1521 PWs) bands (ev): -14.5410 -14.5410 -14.5060 -14.5060 -2.1619 -2.1619 -1.6148 -1.6148 -1.0822 -1.0822 -1.0630 -1.0630 0.1421 0.1421 0.1460 0.1460 7.8757 7.8757 10.5142 10.5142 12.8781 12.8781 13.2024 13.2024 k = 0.1849 0.1068-0.0000 ( 1523 PWs) bands (ev): -14.4957 -14.4957 -14.4610 -14.4610 -2.0992 -2.0992 -1.5550 -1.5550 -1.2239 -1.2239 -1.2041 -1.2041 0.0823 0.0823 0.0862 0.0862 7.9499 7.9499 10.5221 10.5221 12.8721 12.8721 13.0837 13.0837 k = 0.1918 0.1107-0.0000 ( 1523 PWs) bands (ev): -14.4488 -14.4488 -14.4144 -14.4144 -2.0344 -2.0344 -1.4932 -1.4932 -1.3673 -1.3673 -1.3471 -1.3471 0.0221 0.0221 0.0262 0.0262 8.0263 8.0263 10.5266 10.5266 12.8641 12.8641 12.9619 12.9619 k = 0.1986 0.1147-0.0000 ( 1527 PWs) bands (ev): -14.4005 -14.4005 -14.3664 -14.3664 -1.9674 -1.9674 -1.5124 -1.5124 -1.4917 -1.4917 -1.4291 -1.4291 -0.0381 -0.0381 -0.0342 -0.0342 8.1050 8.1050 10.5271 10.5271 12.8369 12.8369 12.8543 12.8543 k = 0.2055 0.1186-0.0000 ( 1523 PWs) bands (ev): -14.3508 -14.3508 -14.3169 -14.3169 -1.8984 -1.8984 -1.6586 -1.6586 -1.6376 -1.6376 -1.3634 -1.3634 -0.0984 -0.0984 -0.0943 -0.0943 8.1860 8.1860 10.5231 10.5231 12.7091 12.7091 12.8431 12.8431 k = 0.2123 0.1226-0.0000 ( 1523 PWs) bands (ev): -14.2996 -14.2996 -14.2660 -14.2660 -1.8275 -1.8275 -1.8060 -1.8060 -1.7844 -1.7844 -1.2957 -1.2957 -0.1585 -0.1585 -0.1544 -0.1544 8.2692 8.2692 10.5139 10.5139 12.5784 12.5784 12.8305 12.8305 k = 0.2192 0.1265-0.0000 ( 1527 PWs) bands (ev): -14.2470 -14.2470 -14.2138 -14.2138 -1.9544 -1.9544 -1.9327 -1.9327 -1.7541 -1.7541 -1.2261 -1.2261 -0.2184 -0.2184 -0.2143 -0.2143 8.3547 8.3547 10.4988 10.4988 12.4451 12.4451 12.8169 12.8169 k = 0.2260 0.1305-0.0000 ( 1521 PWs) bands (ev): -14.1931 -14.1931 -14.1602 -14.1602 -2.1034 -2.1034 -2.0815 -2.0815 -1.6790 -1.6790 -1.1546 -1.1546 -0.2781 -0.2781 -0.2738 -0.2738 8.4423 8.4423 10.4775 10.4775 12.3095 12.3095 12.8024 12.8024 k = 0.2329 0.1345-0.0000 ( 1521 PWs) bands (ev): -14.1379 -14.1379 -14.1053 -14.1053 -2.2531 -2.2531 -2.2308 -2.2308 -1.6019 -1.6019 -1.0814 -1.0814 -0.3373 -0.3373 -0.3330 -0.3330 8.5320 8.5320 10.4493 10.4493 12.1716 12.1716 12.7871 12.7871 k = 0.2397 0.1384-0.0000 ( 1519 PWs) bands (ev): -14.0814 -14.0814 -14.0491 -14.0491 -2.4031 -2.4031 -2.3804 -2.3804 -1.5229 -1.5229 -1.0065 -1.0065 -0.3959 -0.3959 -0.3916 -0.3916 8.6239 8.6239 10.4137 10.4137 12.0316 12.0316 12.7713 12.7713 k = 0.2466 0.1424-0.0000 ( 1523 PWs) bands (ev): -14.0237 -14.0237 -13.9917 -13.9917 -2.5533 -2.5533 -2.5303 -2.5303 -1.4421 -1.4421 -0.9299 -0.9299 -0.4540 -0.4540 -0.4496 -0.4496 8.7178 8.7178 10.3704 10.3704 11.8898 11.8898 12.7550 12.7550 k = 0.2534 0.1463-0.0000 ( 1523 PWs) bands (ev): -13.9648 -13.9648 -13.9332 -13.9332 -2.7035 -2.7035 -2.6801 -2.6801 -1.3595 -1.3595 -0.8516 -0.8516 -0.5114 -0.5114 -0.5069 -0.5069 8.8138 8.8138 10.3191 10.3191 11.7463 11.7463 12.7384 12.7384 k = 0.2603 0.1503-0.0000 ( 1525 PWs) bands (ev): -13.9049 -13.9049 -13.8736 -13.8736 -2.8534 -2.8534 -2.8298 -2.8298 -1.2752 -1.2752 -0.7719 -0.7719 -0.5679 -0.5679 -0.5635 -0.5635 8.9118 8.9118 10.2595 10.2595 11.6014 11.6014 12.7216 12.7216 k = 0.2671 0.1542-0.0000 ( 1529 PWs) bands (ev): -13.8438 -13.8438 -13.8130 -13.8130 -3.0030 -3.0030 -2.9791 -2.9791 -1.1893 -1.1893 -0.6907 -0.6907 -0.6235 -0.6235 -0.6192 -0.6192 9.0117 9.0117 10.1920 10.1920 11.4552 11.4552 12.7046 12.7046 k = 0.2740 0.1582-0.0000 ( 1533 PWs) bands (ev): -13.7818 -13.7818 -13.7513 -13.7513 -3.1521 -3.1521 -3.1278 -3.1278 -1.1017 -1.1017 -0.6788 -0.6788 -0.6740 -0.6740 -0.6076 -0.6076 9.1135 9.1135 10.1164 10.1164 11.3080 11.3080 12.6876 12.6876 k = 0.2808 0.1621-0.0000 ( 1533 PWs) bands (ev): -13.7188 -13.7188 -13.6888 -13.6888 -3.3005 -3.3005 -3.2757 -3.2757 -1.0125 -1.0125 -0.7324 -0.7324 -0.7277 -0.7277 -0.5238 -0.5238 9.2171 9.2171 10.0332 10.0332 11.1597 11.1597 12.6705 12.6705 k = 0.2877 0.1661-0.0000 ( 1529 PWs) bands (ev): -13.6550 -13.6550 -13.6254 -13.6254 -3.4480 -3.4480 -3.4228 -3.4228 -0.9220 -0.9220 -0.7851 -0.7851 -0.7803 -0.7803 -0.4386 -0.4386 9.3224 9.3224 9.9427 9.9427 11.0110 11.0110 12.6535 12.6535 k = 0.2945 0.1700-0.0000 ( 1527 PWs) bands (ev): -13.5905 -13.5905 -13.5612 -13.5612 -3.5944 -3.5944 -3.5688 -3.5688 -0.8367 -0.8367 -0.8347 -0.8347 -0.8273 -0.8273 -0.3522 -0.3522 9.4293 9.4293 9.8454 9.8454 10.8619 10.8619 12.6366 12.6366 k = 0.3014 0.1740-0.0000 ( 1527 PWs) bands (ev): -13.5252 -13.5252 -13.4964 -13.4964 -3.7395 -3.7395 -3.7136 -3.7136 -0.8871 -0.8871 -0.8824 -0.8824 -0.7367 -0.7367 -0.2647 -0.2647 9.5378 9.5378 9.7419 9.7419 10.7125 10.7125 12.6198 12.6198 k = 0.3082 0.1780-0.0000 ( 1523 PWs) bands (ev): -13.4593 -13.4593 -13.4309 -13.4309 -3.8832 -3.8832 -3.8569 -3.8569 -0.9362 -0.9362 -0.9315 -0.9315 -0.6424 -0.6424 -0.1764 -0.1764 9.6327 9.6327 9.6477 9.6477 10.5632 10.5632 12.6033 12.6033 k = 0.3151 0.1819-0.0000 ( 1527 PWs) bands (ev): -13.3930 -13.3930 -13.3650 -13.3650 -4.0253 -4.0253 -3.9987 -3.9987 -0.9841 -0.9841 -0.9793 -0.9793 -0.5471 -0.5471 -0.0872 -0.0872 9.5186 9.5186 9.7588 9.7588 10.4142 10.4142 12.5869 12.5869 k = 0.3219 0.1859-0.0000 ( 1525 PWs) bands (ev): -13.3263 -13.3263 -13.2988 -13.2988 -4.1656 -4.1656 -4.1386 -4.1386 -1.0305 -1.0305 -1.0257 -1.0257 -0.4508 -0.4508 0.0026 0.0026 9.4001 9.4001 9.8710 9.8710 10.2656 10.2656 12.5708 12.5708 k = 0.3288 0.1898-0.0000 ( 1529 PWs) bands (ev): -13.2593 -13.2593 -13.2323 -13.2323 -4.3040 -4.3040 -4.2765 -4.2765 -1.0756 -1.0756 -1.0708 -1.0708 -0.3537 -0.3537 0.0929 0.0929 9.2780 9.2780 9.9842 9.9842 10.1177 10.1177 12.5549 12.5549 k = 0.3356 0.1938-0.0000 ( 1531 PWs) bands (ev): -13.1922 -13.1922 -13.1656 -13.1656 -4.4402 -4.4402 -4.4123 -4.4123 -1.1193 -1.1193 -1.1144 -1.1144 -0.2561 -0.2561 0.1836 0.1836 9.1529 9.1529 9.9709 9.9709 10.0980 10.0980 12.5394 12.5394 k = 0.3425 0.1977-0.0000 ( 1533 PWs) bands (ev): -13.1251 -13.1251 -13.0990 -13.0990 -4.5740 -4.5740 -4.5457 -4.5457 -1.1614 -1.1614 -1.1565 -1.1565 -0.1580 -0.1580 0.2745 0.2745 9.0255 9.0255 9.8253 9.8253 10.2124 10.2124 12.5241 12.5241 k = 0.3493 0.2017-0.0000 ( 1532 PWs) bands (ev): -13.0582 -13.0582 -13.0325 -13.0325 -4.7051 -4.7051 -4.6765 -4.6765 -1.2020 -1.2020 -1.1971 -1.1971 -0.0596 -0.0596 0.3653 0.3653 8.8964 8.8964 9.6813 9.6813 10.3269 10.3269 12.5092 12.5092 k = 0.3562 0.2056-0.0000 ( 1532 PWs) bands (ev): -12.9915 -12.9915 -12.9664 -12.9664 -4.8335 -4.8335 -4.8044 -4.8044 -1.2411 -1.2411 -1.2361 -1.2361 0.0389 0.0389 0.4559 0.4559 8.7663 8.7663 9.5391 9.5391 10.4412 10.4412 12.4945 12.4945 k = 0.3630 0.2096-0.0000 ( 1532 PWs) bands (ev): -12.9254 -12.9254 -12.9008 -12.9008 -4.9588 -4.9588 -4.9293 -4.9293 -1.2786 -1.2786 -1.2735 -1.2735 0.1371 0.1371 0.5461 0.5461 8.6358 8.6358 9.3991 9.3991 10.5550 10.5550 12.4802 12.4802 k = 0.3699 0.2135-0.0000 ( 1536 PWs) bands (ev): -12.8600 -12.8600 -12.8359 -12.8359 -5.0809 -5.0809 -5.0509 -5.0509 -1.3144 -1.3144 -1.3093 -1.3093 0.2350 0.2350 0.6356 0.6356 8.5055 8.5055 9.2616 9.2616 10.6679 10.6679 12.4662 12.4662 k = 0.3767 0.2175-0.0000 ( 1538 PWs) bands (ev): -12.7955 -12.7955 -12.7718 -12.7718 -5.1994 -5.1994 -5.1689 -5.1689 -1.3486 -1.3486 -1.3434 -1.3434 0.3322 0.3322 0.7241 0.7241 8.3760 8.3760 9.1269 9.1269 10.7793 10.7793 12.4525 12.4525 k = 0.3836 0.2214-0.0000 ( 1538 PWs) bands (ev): -12.7321 -12.7321 -12.7089 -12.7089 -5.3141 -5.3141 -5.2832 -5.2832 -1.3811 -1.3811 -1.3758 -1.3758 0.4284 0.4284 0.8113 0.8113 8.2480 8.2480 8.9955 8.9955 10.8888 10.8888 12.4391 12.4391 k = 0.3904 0.2254-0.0000 ( 1544 PWs) bands (ev): -12.6700 -12.6700 -12.6474 -12.6474 -5.4248 -5.4248 -5.3934 -5.3934 -1.4119 -1.4119 -1.4066 -1.4066 0.5232 0.5232 0.8970 0.8970 8.1219 8.1219 8.8676 8.8676 10.9956 10.9956 12.4261 12.4261 k = 0.3973 0.2294-0.0000 ( 1544 PWs) bands (ev): -12.6095 -12.6095 -12.5874 -12.5874 -5.5310 -5.5310 -5.4992 -5.4992 -1.4409 -1.4409 -1.4356 -1.4356 0.6163 0.6163 0.9807 0.9807 7.9984 7.9984 8.7438 8.7438 11.0993 11.0993 12.4133 12.4133 k = 0.4041 0.2333-0.0000 ( 1544 PWs) bands (ev): -12.5509 -12.5509 -12.5293 -12.5293 -5.6326 -5.6326 -5.6003 -5.6003 -1.4681 -1.4681 -1.4628 -1.4628 0.7073 0.7073 1.0621 1.0621 7.8783 7.8783 8.6245 8.6245 11.1990 11.1990 12.4009 12.4009 k = 0.4110 0.2373-0.0000 ( 1536 PWs) bands (ev): -12.4945 -12.4945 -12.4733 -12.4733 -5.7292 -5.7292 -5.6965 -5.6965 -1.4935 -1.4935 -1.4882 -1.4882 0.7958 0.7958 1.1409 1.1409 7.7620 7.7620 8.5102 8.5102 11.2942 11.2942 12.3888 12.3888 k = 0.4178 0.2412-0.0000 ( 1528 PWs) bands (ev): -12.4404 -12.4404 -12.4198 -12.4198 -5.8205 -5.8205 -5.7874 -5.7874 -1.5170 -1.5170 -1.5118 -1.5118 0.8812 0.8812 1.2165 1.2165 7.6503 7.6503 8.4012 8.4012 11.3841 11.3841 12.3770 12.3770 k = 0.4247 0.2452-0.0000 ( 1532 PWs) bands (ev): -12.3892 -12.3892 -12.3689 -12.3689 -5.9062 -5.9062 -5.8727 -5.8727 -1.5389 -1.5389 -1.5336 -1.5336 0.9631 0.9631 1.2885 1.2885 7.5438 7.5438 8.2982 8.2982 11.4681 11.4681 12.3654 12.3654 k = 0.4315 0.2491-0.0000 ( 1532 PWs) bands (ev): -12.3409 -12.3409 -12.3211 -12.3211 -5.9860 -5.9860 -5.9520 -5.9520 -1.5588 -1.5588 -1.5535 -1.5535 1.0408 1.0408 1.3564 1.3564 7.4432 7.4432 8.2017 8.2017 11.5457 11.5457 12.3541 12.3541 k = 0.4384 0.2531-0.0000 ( 1532 PWs) bands (ev): -12.2960 -12.2960 -12.2767 -12.2767 -6.0594 -6.0594 -6.0251 -6.0251 -1.5769 -1.5769 -1.5716 -1.5716 1.1139 1.1139 1.4198 1.4198 7.3492 7.3492 8.1121 8.1121 11.6165 11.6165 12.3432 12.3432 k = 0.4452 0.2570-0.0000 ( 1536 PWs) bands (ev): -12.2548 -12.2548 -12.2358 -12.2358 -6.1263 -6.1263 -6.0916 -6.0916 -1.5932 -1.5932 -1.5878 -1.5878 1.1817 1.1817 1.4782 1.4782 7.2626 7.2626 8.0301 8.0301 11.6802 11.6802 12.3327 12.3327 k = 0.4521 0.2610-0.0000 ( 1540 PWs) bands (ev): -12.2176 -12.2176 -12.1990 -12.1990 -6.1862 -6.1862 -6.1512 -6.1512 -1.6075 -1.6075 -1.6022 -1.6022 1.2435 1.2435 1.5311 1.5311 7.1841 7.1841 7.9561 7.9561 11.7365 11.7365 12.3226 12.3226 k = 0.4589 0.2649-0.0000 ( 1536 PWs) bands (ev): -12.1846 -12.1846 -12.1663 -12.1663 -6.2388 -6.2388 -6.2035 -6.2035 -1.6200 -1.6200 -1.6146 -1.6146 1.2988 1.2988 1.5782 1.5782 7.1143 7.1143 7.8907 7.8907 11.7856 11.7856 12.3130 12.3130 k = 0.4658 0.2689-0.0000 ( 1536 PWs) bands (ev): -12.1562 -12.1562 -12.1382 -12.1382 -6.2839 -6.2839 -6.2484 -6.2484 -1.6305 -1.6305 -1.6252 -1.6252 1.3468 1.3468 1.6187 1.6187 7.0538 7.0538 7.8344 7.8344 11.8272 11.8272 12.3042 12.3042 k = 0.4726 0.2729-0.0000 ( 1532 PWs) bands (ev): -12.1325 -12.1325 -12.1148 -12.1148 -6.3212 -6.3212 -6.2854 -6.2854 -1.6392 -1.6392 -1.6338 -1.6338 1.3871 1.3871 1.6525 1.6525 7.0035 7.0035 7.7877 7.7877 11.8615 11.8615 12.2964 12.2964 k = 0.4795 0.2768-0.0000 ( 1528 PWs) bands (ev): -12.1139 -12.1139 -12.0963 -12.0963 -6.3504 -6.3504 -6.3144 -6.3144 -1.6459 -1.6459 -1.6405 -1.6405 1.4190 1.4190 1.6791 1.6791 6.9637 6.9637 7.7509 7.7509 11.8884 11.8884 12.2897 12.2897 k = 0.4863 0.2808-0.0000 ( 1528 PWs) bands (ev): -12.1005 -12.1005 -12.0831 -12.0831 -6.3714 -6.3714 -6.3353 -6.3353 -1.6507 -1.6507 -1.6453 -1.6453 1.4422 1.4422 1.6984 1.6984 6.9349 6.9349 7.7243 7.7243 11.9077 11.9077 12.2846 12.2846 k = 0.4932 0.2847-0.0000 ( 1526 PWs) bands (ev): -12.0924 -12.0924 -12.0750 -12.0750 -6.3840 -6.3840 -6.3479 -6.3479 -1.6536 -1.6536 -1.6482 -1.6482 1.4562 1.4562 1.7101 1.7101 6.9175 6.9175 7.7083 7.7083 11.9194 11.9194 12.2814 12.2814 k = 0.5000 0.2887-0.0000 ( 1530 PWs) bands (ev): -12.0896 -12.0896 -12.0723 -12.0723 -6.3883 -6.3883 -6.3522 -6.3522 -1.6545 -1.6545 -1.6492 -1.6492 1.4609 1.4609 1.7140 1.7140 6.9117 6.9117 7.7030 7.7030 11.9233 11.9233 12.2803 12.2803 k = 0.5000 0.2887-0.0000 ( 1530 PWs) bands (ev): -12.0896 -12.0896 -12.0723 -12.0723 -6.3883 -6.3883 -6.3522 -6.3522 -1.6545 -1.6545 -1.6492 -1.6492 1.4609 1.4609 1.7140 1.7140 6.9117 6.9117 7.7030 7.7030 11.9233 11.9233 12.2803 12.2803 k = 0.4960 0.2955-0.0000 ( 1526 PWs) bands (ev): -12.0890 -12.0890 -12.0717 -12.0717 -6.3875 -6.3875 -6.3514 -6.3514 -1.6583 -1.6583 -1.6529 -1.6529 1.4618 1.4618 1.7149 1.7149 6.9121 6.9121 7.7030 7.7030 11.9283 11.9283 12.2857 12.2857 k = 0.4921 0.3024-0.0000 ( 1530 PWs) bands (ev): -12.0872 -12.0872 -12.0700 -12.0700 -6.3853 -6.3853 -6.3492 -6.3492 -1.6697 -1.6697 -1.6639 -1.6639 1.4645 1.4645 1.7174 1.7174 6.9132 6.9132 7.7029 7.7029 11.9430 11.9430 12.3016 12.3016 k = 0.4881 0.3093-0.0000 ( 1529 PWs) bands (ev): -12.0843 -12.0843 -12.0670 -12.0670 -6.3817 -6.3817 -6.3456 -6.3456 -1.6883 -1.6883 -1.6825 -1.6825 1.4690 1.4690 1.7217 1.7217 6.9150 6.9150 7.7028 7.7028 11.9676 11.9676 12.3281 12.3281 k = 0.4841 0.3162-0.0000 ( 1533 PWs) bands (ev): -12.0801 -12.0801 -12.0628 -12.0628 -6.3765 -6.3765 -6.3405 -6.3405 -1.7142 -1.7142 -1.7082 -1.7082 1.4753 1.4753 1.7277 1.7277 6.9176 6.9176 7.7027 7.7027 12.0018 12.0018 12.3650 12.3650 k = 0.4802 0.3230-0.0000 ( 1533 PWs) bands (ev): -12.0747 -12.0747 -12.0575 -12.0575 -6.3699 -6.3699 -6.3340 -6.3340 -1.7473 -1.7473 -1.7411 -1.7411 1.4833 1.4833 1.7355 1.7355 6.9209 6.9209 7.7025 7.7025 12.0454 12.0454 12.4120 12.4120 k = 0.4762 0.3299-0.0000 ( 1533 PWs) bands (ev): -12.0682 -12.0682 -12.0510 -12.0510 -6.3619 -6.3619 -6.3260 -6.3260 -1.7873 -1.7873 -1.7808 -1.7808 1.4931 1.4931 1.7450 1.7450 6.9248 6.9248 7.7021 7.7021 12.0980 12.0980 12.4688 12.4688 k = 0.4722 0.3368-0.0000 ( 1537 PWs) bands (ev): -12.0605 -12.0605 -12.0434 -12.0434 -6.3523 -6.3523 -6.3165 -6.3165 -1.8339 -1.8339 -1.8271 -1.8271 1.5045 1.5045 1.7561 1.7561 6.9295 6.9295 7.7016 7.7016 12.1595 12.1595 12.5352 12.5352 k = 0.4683 0.3437-0.0000 ( 1539 PWs) bands (ev): -12.0517 -12.0517 -12.0346 -12.0346 -6.3413 -6.3413 -6.3056 -6.3056 -1.8869 -1.8869 -1.8799 -1.8799 1.5178 1.5178 1.7688 1.7688 6.9347 6.9347 7.7008 7.7008 12.2294 12.2294 12.6106 12.6106 k = 0.4643 0.3505-0.0000 ( 1539 PWs) bands (ev): -12.0418 -12.0418 -12.0247 -12.0247 -6.3289 -6.3289 -6.2933 -6.2933 -1.9461 -1.9461 -1.9387 -1.9387 1.5327 1.5327 1.7832 1.7832 6.9405 6.9405 7.6998 7.6998 12.3072 12.3072 12.6946 12.6946 k = 0.4603 0.3574-0.0000 ( 1539 PWs) bands (ev): -12.0308 -12.0308 -12.0138 -12.0138 -6.3150 -6.3150 -6.2795 -6.2795 -2.0111 -2.0111 -2.0032 -2.0032 1.5493 1.5493 1.7992 1.7992 6.9468 6.9468 7.6984 7.6984 12.3924 12.3924 12.7866 12.7866 k = 0.4563 0.3643-0.0000 ( 1539 PWs) bands (ev): -12.0188 -12.0188 -12.0019 -12.0019 -6.2996 -6.2996 -6.2643 -6.2643 -2.0815 -2.0815 -2.0731 -2.0731 1.5675 1.5675 1.8168 1.8168 6.9536 6.9536 7.6965 7.6965 12.4847 12.4847 12.8860 12.8860 k = 0.4524 0.3712-0.0000 ( 1539 PWs) bands (ev): -12.0058 -12.0058 -11.9889 -11.9889 -6.2828 -6.2828 -6.2477 -6.2477 -2.1569 -2.1569 -2.1481 -2.1481 1.5873 1.5873 1.8358 1.8358 6.9608 6.9608 7.6942 7.6942 12.5834 12.5834 12.9921 12.9921 k = 0.4484 0.3780-0.0000 ( 1535 PWs) bands (ev): -11.9917 -11.9917 -11.9749 -11.9749 -6.2646 -6.2646 -6.2296 -6.2296 -2.2371 -2.2371 -2.2276 -2.2276 1.6086 1.6086 1.8564 1.8564 6.9683 6.9683 7.6912 7.6912 12.6879 12.6879 13.1040 13.1040 k = 0.4444 0.3849-0.0000 ( 1533 PWs) bands (ev): -11.9768 -11.9768 -11.9600 -11.9600 -6.2450 -6.2450 -6.2101 -6.2101 -2.3215 -2.3215 -2.3115 -2.3115 1.6314 1.6314 1.8783 1.8783 6.9762 6.9762 7.6876 7.6876 12.7977 12.7977 13.2209 13.2209 k = 0.4405 0.3918-0.0000 ( 1531 PWs) bands (ev): -11.9609 -11.9609 -11.9443 -11.9443 -6.2239 -6.2239 -6.1892 -6.1892 -2.4098 -2.4098 -2.3993 -2.3993 1.6557 1.6557 1.9017 1.9017 6.9842 6.9842 7.6832 7.6832 12.9120 12.9120 13.3415 13.3415 k = 0.4365 0.3986-0.0000 ( 1537 PWs) bands (ev): -11.9443 -11.9443 -11.9277 -11.9277 -6.2014 -6.2014 -6.1669 -6.1669 -2.5018 -2.5018 -2.4906 -2.4906 1.6813 1.6813 1.9263 1.9263 6.9924 6.9924 7.6779 7.6779 13.0303 13.0303 13.4647 13.4647 k = 0.4325 0.4055-0.0000 ( 1537 PWs) bands (ev): -11.9268 -11.9268 -11.9103 -11.9103 -6.1776 -6.1776 -6.1433 -6.1433 -2.5968 -2.5968 -2.5850 -2.5850 1.7082 1.7082 1.9521 1.9521 7.0007 7.0007 7.6715 7.6715 13.1519 13.1519 13.5891 13.5891 k = 0.4286 0.4124-0.0000 ( 1541 PWs) bands (ev): -11.9086 -11.9086 -11.8922 -11.8922 -6.1523 -6.1523 -6.1183 -6.1183 -2.6945 -2.6945 -2.6822 -2.6822 1.7363 1.7363 1.9791 1.9791 7.0090 7.0090 7.6641 7.6641 13.2762 13.2762 13.7133 13.7133 k = 0.4246 0.4193-0.0000 ( 1541 PWs) bands (ev): -11.8897 -11.8897 -11.8734 -11.8734 -6.1257 -6.1257 -6.0919 -6.0919 -2.7945 -2.7945 -2.7816 -2.7816 1.7655 1.7655 2.0072 2.0072 7.0172 7.0172 7.6555 7.6555 13.4024 13.4024 13.8354 13.8354 k = 0.4206 0.4261-0.0000 ( 1541 PWs) bands (ev): -11.8703 -11.8703 -11.8541 -11.8541 -6.0977 -6.0977 -6.0642 -6.0642 -2.8965 -2.8965 -2.8830 -2.8830 1.7958 1.7958 2.0362 2.0362 7.0253 7.0253 7.6456 7.6456 13.5299 13.5299 13.9540 13.9540 k = 0.4167 0.4330-0.0000 ( 1533 PWs) bands (ev): -11.8503 -11.8503 -11.8342 -11.8342 -6.0684 -6.0684 -6.0352 -6.0352 -2.9999 -2.9999 -2.9858 -2.9858 1.8272 1.8272 2.0661 2.0661 7.0331 7.0331 7.6344 7.6344 13.6582 13.6582 14.0677 14.0677 k = 0.4127 0.4399-0.0000 ( 1535 PWs) bands (ev): -11.8299 -11.8299 -11.8140 -11.8140 -6.0378 -6.0378 -6.0049 -6.0049 -3.1045 -3.1045 -3.0899 -3.0899 1.8593 1.8593 2.0967 2.0967 7.0406 7.0406 7.6216 7.6216 13.7866 13.7866 14.1751 14.1751 k = 0.4087 0.4468-0.0000 ( 1535 PWs) bands (ev): -11.8092 -11.8092 -11.7933 -11.7933 -6.0060 -6.0060 -5.9734 -5.9734 -3.2099 -3.2099 -3.1946 -3.1946 1.8921 1.8921 2.1280 2.1280 7.0478 7.0478 7.6074 7.6074 13.9145 13.9145 14.2757 14.2757 k = 0.4048 0.4536-0.0000 ( 1535 PWs) bands (ev): -11.7882 -11.7882 -11.7725 -11.7725 -5.9729 -5.9729 -5.9406 -5.9406 -3.3156 -3.3156 -3.2998 -3.2998 1.9255 1.9255 2.1597 2.1597 7.0546 7.0546 7.5915 7.5915 14.0414 14.0414 14.3694 14.3694 k = 0.4008 0.4605-0.0000 ( 1539 PWs) bands (ev): -11.7670 -11.7670 -11.7514 -11.7514 -5.9386 -5.9386 -5.9067 -5.9067 -3.4214 -3.4214 -3.4050 -3.4050 1.9593 1.9593 2.1918 2.1918 7.0609 7.0609 7.5741 7.5741 14.1667 14.1667 14.4563 14.4563 k = 0.3968 0.4674-0.0000 ( 1539 PWs) bands (ev): -11.7459 -11.7459 -11.7304 -11.7304 -5.9032 -5.9032 -5.8717 -5.8717 -3.5266 -3.5266 -3.5097 -3.5097 1.9934 1.9934 2.2240 2.2240 7.0667 7.0667 7.5550 7.5550 14.2901 14.2901 14.5373 14.5373 k = 0.3929 0.4743-0.0000 ( 1541 PWs) bands (ev): -11.7248 -11.7248 -11.7094 -11.7094 -5.8667 -5.8667 -5.8357 -5.8357 -3.6311 -3.6311 -3.6138 -3.6138 2.0276 2.0276 2.2563 2.2563 7.0720 7.0720 7.5343 7.5343 14.4112 14.4112 14.6130 14.6130 k = 0.3889 0.4811-0.0000 ( 1537 PWs) bands (ev): -11.7039 -11.7039 -11.6886 -11.6886 -5.8292 -5.8292 -5.7987 -5.7987 -3.7344 -3.7344 -3.7165 -3.7165 2.0616 2.0616 2.2884 2.2884 7.0768 7.0768 7.5120 7.5120 14.5294 14.5294 14.6844 14.6844 k = 0.3849 0.4880-0.0000 ( 1537 PWs) bands (ev): -11.6833 -11.6833 -11.6682 -11.6682 -5.7909 -5.7909 -5.7609 -5.7609 -3.8359 -3.8359 -3.8177 -3.8177 2.0954 2.0954 2.3202 2.3202 7.0811 7.0811 7.4883 7.4883 14.6446 14.6446 14.7519 14.7519 k = 0.3810 0.4949-0.0000 ( 1541 PWs) bands (ev): -11.6632 -11.6632 -11.6482 -11.6482 -5.7518 -5.7518 -5.7223 -5.7223 -3.9354 -3.9354 -3.9168 -3.9168 2.1285 2.1285 2.3513 2.3513 7.0850 7.0850 7.4632 7.4632 14.7560 14.7560 14.8164 14.8164 k = 0.3770 0.5017-0.0000 ( 1543 PWs) bands (ev): -11.6437 -11.6437 -11.6289 -11.6289 -5.7121 -5.7121 -5.6833 -5.6833 -4.0323 -4.0323 -4.0134 -4.0134 2.1610 2.1610 2.3815 2.3815 7.0886 7.0886 7.4369 7.4369 14.8633 14.8633 14.8786 14.8786 k = 0.3730 0.5086-0.0000 ( 1543 PWs) bands (ev): -11.6250 -11.6250 -11.6103 -11.6103 -5.6719 -5.6719 -5.6439 -5.6439 -4.1260 -4.1260 -4.1069 -4.1069 2.1923 2.1923 2.4108 2.4108 7.0919 7.0919 7.4096 7.4096 14.9377 14.9377 14.9668 14.9668 k = 0.3690 0.5155-0.0000 ( 1547 PWs) bands (ev): -11.6072 -11.6072 -11.5927 -11.5927 -5.6317 -5.6317 -5.6046 -5.6046 -4.2159 -4.2159 -4.1968 -4.1968 2.2222 2.2222 2.4387 2.4387 7.0951 7.0951 7.3816 7.3816 14.9956 14.9956 15.0644 15.0644 k = 0.3651 0.5224-0.0000 ( 1555 PWs) bands (ev): -11.5906 -11.5906 -11.5761 -11.5761 -5.5917 -5.5917 -5.5656 -5.5656 -4.3014 -4.3014 -4.2824 -4.2824 2.2506 2.2506 2.4649 2.4649 7.0983 7.0983 7.3531 7.3531 15.0517 15.0517 15.1559 15.1559 k = 0.3611 0.5292-0.0000 ( 1555 PWs) bands (ev): -11.5752 -11.5752 -11.5608 -11.5608 -5.5523 -5.5523 -5.5276 -5.5276 -4.3816 -4.3816 -4.3629 -4.3629 2.2769 2.2769 2.4893 2.4893 7.1018 7.1018 7.3245 7.3245 15.1063 15.1063 15.1535 15.1535 k = 0.3571 0.5361-0.0000 ( 1551 PWs) bands (ev): -11.5612 -11.5612 -11.5470 -11.5470 -5.5144 -5.5144 -5.4913 -5.4913 -4.4554 -4.4554 -4.4374 -4.4374 2.3010 2.3010 2.5114 2.5114 7.1059 7.1059 7.2962 7.2962 15.1224 15.1224 15.1510 15.1510 k = 0.3532 0.5430-0.0000 ( 1551 PWs) bands (ev): -11.5489 -11.5489 -11.5348 -11.5348 -5.4786 -5.4786 -5.4576 -5.4576 -4.5216 -4.5216 -4.5047 -4.5047 2.3224 2.3224 2.5310 2.5310 7.1107 7.1107 7.2686 7.2686 15.0959 15.0959 15.1130 15.1130 k = 0.3492 0.5499-0.0000 ( 1547 PWs) bands (ev): -11.5384 -11.5384 -11.5244 -11.5244 -5.4461 -5.4461 -5.4277 -5.4277 -4.5788 -4.5788 -4.5635 -4.5635 2.3407 2.3407 2.5478 2.5478 7.1166 7.1166 7.2421 7.2421 15.0740 15.0740 15.0820 15.0820 k = 0.3452 0.5567-0.0000 ( 1547 PWs) bands (ev): -11.5300 -11.5300 -11.5160 -11.5160 -5.4182 -5.4182 -5.4031 -5.4031 -4.6252 -4.6252 -4.6122 -4.6122 2.3556 2.3556 2.5614 2.5614 7.1239 7.1239 7.2173 7.2173 15.0567 15.0567 15.0583 15.0583 k = 0.3413 0.5636-0.0000 ( 1545 PWs) bands (ev): -11.5237 -11.5237 -11.5098 -11.5098 -5.3964 -5.3964 -5.3852 -5.3852 -4.6593 -4.6593 -4.6489 -4.6489 2.3667 2.3667 2.5715 2.5715 7.1330 7.1330 7.1947 7.1947 15.0419 15.0419 15.0439 15.0439 k = 0.3373 0.5705-0.0000 ( 1545 PWs) bands (ev): -11.5198 -11.5198 -11.5059 -11.5059 -5.3823 -5.3823 -5.3750 -5.3750 -4.6796 -4.6796 -4.6720 -4.6720 2.3736 2.3736 2.5777 2.5777 7.1442 7.1442 7.1747 7.1747 15.0329 15.0329 15.0355 15.0355 k = 0.3333 0.5774-0.0000 ( 1545 PWs) bands (ev): -11.5185 -11.5185 -11.5046 -11.5046 -5.3772 -5.3772 -5.3721 -5.3721 -4.6861 -4.6861 -4.6798 -4.6798 2.3760 2.3760 2.5799 2.5799 7.1578 7.1578 7.1578 7.1578 15.0314 15.0314 15.0314 15.0314 k = 0.3333 0.5774-0.0000 ( 1545 PWs) bands (ev): -11.5185 -11.5185 -11.5046 -11.5046 -5.3772 -5.3772 -5.3721 -5.3721 -4.6861 -4.6861 -4.6798 -4.6798 2.3760 2.3760 2.5799 2.5799 7.1578 7.1578 7.1578 7.1578 15.0314 15.0314 15.0314 15.0314 k = 0.3294 0.5705-0.0000 ( 1545 PWs) bands (ev): -11.5199 -11.5199 -11.5060 -11.5060 -5.3819 -5.3819 -5.3747 -5.3747 -4.6798 -4.6798 -4.6723 -4.6723 2.3735 2.3735 2.5776 2.5776 7.1447 7.1447 7.1744 7.1744 15.0312 15.0312 15.0372 15.0372 k = 0.3254 0.5636-0.0000 ( 1549 PWs) bands (ev): -11.5241 -11.5241 -11.5102 -11.5102 -5.3934 -5.3934 -5.3826 -5.3826 -4.6614 -4.6614 -4.6513 -4.6513 2.3658 2.3658 2.5708 2.5708 7.1358 7.1358 7.1941 7.1941 15.0346 15.0346 15.0504 15.0504 k = 0.3214 0.5567-0.0000 ( 1545 PWs) bands (ev): -11.5314 -11.5314 -11.5174 -11.5174 -5.4087 -5.4087 -5.3946 -5.3946 -4.6320 -4.6320 -4.6195 -4.6195 2.3527 2.3527 2.5591 2.5591 7.1315 7.1315 7.2174 7.2174 15.0414 15.0414 15.0709 15.0709 k = 0.3175 0.5499-0.0000 ( 1553 PWs) bands (ev): -11.5419 -11.5419 -11.5278 -11.5278 -5.4256 -5.4256 -5.4086 -5.4086 -4.5936 -4.5936 -4.5792 -4.5792 2.3340 2.3340 2.5423 2.5423 7.1322 7.1322 7.2446 7.2446 15.0510 15.0510 15.0986 15.0986 k = 0.3135 0.5430-0.0000 ( 1553 PWs) bands (ev): -11.5555 -11.5555 -11.5413 -11.5413 -5.4420 -5.4420 -5.4227 -5.4227 -4.5478 -4.5478 -4.5319 -4.5319 2.3094 2.3094 2.5205 2.5205 7.1383 7.1383 7.2759 7.2759 14.9775 14.9775 15.0630 15.0630 k = 0.3095 0.5361-0.0000 ( 1545 PWs) bands (ev): -11.5725 -11.5725 -11.5581 -11.5581 -5.4564 -5.4564 -5.4354 -5.4354 -4.4960 -4.4960 -4.4791 -4.4791 2.2789 2.2789 2.4936 2.4936 7.1500 7.1500 7.3116 7.3116 14.8397 14.8397 15.0770 15.0770 k = 0.3056 0.5292-0.0000 ( 1545 PWs) bands (ev): -11.5929 -11.5929 -11.5783 -11.5783 -5.4679 -5.4679 -5.4454 -5.4454 -4.4396 -4.4396 -4.4220 -4.4220 2.2426 2.2426 2.4614 2.4614 7.1676 7.1676 7.3518 7.3518 14.6933 14.6933 15.0923 15.0923 k = 0.3016 0.5224-0.0000 ( 1545 PWs) bands (ev): -11.6167 -11.6167 -11.6019 -11.6019 -5.4755 -5.4755 -5.4519 -5.4519 -4.3792 -4.3792 -4.3611 -4.3611 2.2003 2.2003 2.4239 2.4239 7.1913 7.1913 7.3968 7.3968 14.5404 14.5404 15.1083 15.1083 k = 0.2976 0.5155-0.0000 ( 1545 PWs) bands (ev): -11.6439 -11.6439 -11.6289 -11.6289 -5.4787 -5.4787 -5.4542 -5.4542 -4.3156 -4.3156 -4.2972 -4.2972 2.1522 2.1522 2.3814 2.3814 7.2210 7.2210 7.4466 7.4466 14.3824 14.3824 15.1245 15.1245 k = 0.2937 0.5086-0.0000 ( 1545 PWs) bands (ev): -11.6745 -11.6745 -11.6592 -11.6592 -5.4771 -5.4771 -5.4518 -5.4518 -4.2491 -4.2491 -4.2305 -4.2305 2.0984 2.0984 2.3339 2.3339 7.2567 7.2567 7.5013 7.5013 14.2208 14.2208 15.1401 15.1401 k = 0.2897 0.5017-0.0000 ( 1545 PWs) bands (ev): -11.7085 -11.7085 -11.6929 -11.6929 -5.4703 -5.4703 -5.4444 -5.4444 -4.1801 -4.1801 -4.1615 -4.1615 2.0393 2.0393 2.2815 2.2815 7.2985 7.2985 7.5609 7.5609 14.0564 14.0564 15.1546 15.1546 k = 0.2857 0.4949-0.0000 ( 1545 PWs) bands (ev): -11.7457 -11.7457 -11.7298 -11.7298 -5.4581 -5.4581 -5.4319 -5.4319 -4.1089 -4.1089 -4.0904 -4.0904 1.9749 1.9749 2.2245 2.2245 7.3462 7.3462 7.6253 7.6253 13.8902 13.8902 15.1671 15.1671 k = 0.2817 0.4880-0.0000 ( 1541 PWs) bands (ev): -11.7862 -11.7862 -11.7699 -11.7699 -5.4406 -5.4406 -5.4140 -5.4140 -4.0357 -4.0357 -4.0174 -4.0174 1.9056 1.9056 2.1630 2.1630 7.3996 7.3996 7.6946 7.6946 13.7228 13.7228 15.1772 15.1772 k = 0.2778 0.4811-0.0000 ( 1543 PWs) bands (ev): -11.8297 -11.8297 -11.8131 -11.8131 -5.4176 -5.4176 -5.3907 -5.3907 -3.9607 -3.9607 -3.9425 -3.9425 1.8318 1.8318 2.0974 2.0974 7.4586 7.4586 7.7687 7.7687 13.5547 13.5547 15.1841 15.1841 k = 0.2738 0.4743-0.0000 ( 1539 PWs) bands (ev): -11.8762 -11.8762 -11.8592 -11.8592 -5.3891 -5.3891 -5.3621 -5.3621 -3.8840 -3.8840 -3.8661 -3.8661 1.7538 1.7538 2.0278 2.0278 7.5229 7.5229 7.8473 7.8473 13.3864 13.3864 15.1873 15.1873 k = 0.2698 0.4674-0.0000 ( 1543 PWs) bands (ev): -11.9255 -11.9255 -11.9081 -11.9081 -5.3553 -5.3553 -5.3281 -5.3281 -3.8058 -3.8058 -3.7880 -3.7880 1.6718 1.6718 1.9546 1.9546 7.5922 7.5922 7.9305 7.9305 13.2183 13.2183 15.1863 15.1863 k = 0.2659 0.4605-0.0000 ( 1547 PWs) bands (ev): -11.9774 -11.9774 -11.9596 -11.9596 -5.3161 -5.3161 -5.2888 -5.2888 -3.7260 -3.7260 -3.7086 -3.7086 1.5862 1.5862 1.8780 1.8780 7.6663 7.6663 8.0179 8.0179 13.0507 13.0507 15.1807 15.1807 k = 0.2619 0.4536-0.0000 ( 1547 PWs) bands (ev): -12.0318 -12.0318 -12.0135 -12.0135 -5.2717 -5.2717 -5.2443 -5.2443 -3.6449 -3.6449 -3.6278 -3.6278 1.4975 1.4975 1.7983 1.7983 7.7449 7.7449 8.1096 8.1096 12.8839 12.8839 15.1702 15.1702 k = 0.2579 0.4468-0.0000 ( 1547 PWs) bands (ev): -12.0885 -12.0885 -12.0698 -12.0698 -5.2222 -5.2222 -5.1948 -5.1948 -3.5625 -3.5625 -3.5456 -3.5456 1.4059 1.4059 1.7159 1.7159 7.8276 7.8276 8.2052 8.2052 12.7181 12.7181 15.1547 15.1547 k = 0.2540 0.4399-0.0000 ( 1545 PWs) bands (ev): -12.1474 -12.1474 -12.1281 -12.1281 -5.1678 -5.1678 -5.1404 -5.1404 -3.4788 -3.4788 -3.4623 -3.4623 1.3117 1.3117 1.6311 1.6311 7.9141 7.9141 8.3048 8.3048 12.5535 12.5535 15.1341 15.1341 k = 0.2500 0.4330-0.0000 ( 1549 PWs) bands (ev): -12.2081 -12.2081 -12.1884 -12.1884 -5.1086 -5.1086 -5.0813 -5.0813 -3.3939 -3.3939 -3.3778 -3.3778 1.2154 1.2154 1.5439 1.5439 8.0042 8.0042 8.4079 8.4079 12.3902 12.3902 15.1085 15.1085 k = 0.2460 0.4261-0.0000 ( 1543 PWs) bands (ev): -12.2706 -12.2706 -12.2503 -12.2503 -5.0447 -5.0447 -5.0175 -5.0175 -3.3079 -3.3079 -3.2921 -3.2921 1.1172 1.1172 1.4549 1.4549 8.0975 8.0975 8.5146 8.5146 12.2285 12.2285 15.0782 15.0782 k = 0.2421 0.4193-0.0000 ( 1543 PWs) bands (ev): -12.3346 -12.3346 -12.3139 -12.3139 -4.9764 -4.9764 -4.9493 -4.9493 -3.2209 -3.2209 -3.2055 -3.2055 1.0173 1.0173 1.3641 1.3641 8.1937 8.1937 8.6245 8.6245 12.0685 12.0685 15.0433 15.0433 k = 0.2381 0.4124-0.0000 ( 1539 PWs) bands (ev): -12.4000 -12.4000 -12.3788 -12.3788 -4.9038 -4.9038 -4.8768 -4.8768 -3.1328 -3.1328 -3.1178 -3.1178 0.9162 0.9162 1.2719 1.2719 8.2925 8.2925 8.7375 8.7375 11.9101 11.9101 15.0044 15.0044 k = 0.2341 0.4055-0.0000 ( 1531 PWs) bands (ev): -12.4666 -12.4666 -12.4448 -12.4448 -4.8270 -4.8270 -4.8001 -4.8001 -3.0438 -3.0438 -3.0291 -3.0291 0.8140 0.8140 1.1785 1.1785 8.3936 8.3936 8.8535 8.8535 11.7536 11.7536 14.9620 14.9620 k = 0.2302 0.3986-0.0000 ( 1531 PWs) bands (ev): -12.5342 -12.5342 -12.5120 -12.5120 -4.7464 -4.7464 -4.7196 -4.7196 -2.9539 -2.9539 -2.9396 -2.9396 0.7109 0.7109 1.0841 1.0841 8.4965 8.4965 8.9721 8.9721 11.5991 11.5991 14.9164 14.9164 k = 0.2262 0.3918-0.0000 ( 1537 PWs) bands (ev): -12.6027 -12.6027 -12.5799 -12.5799 -4.6620 -4.6620 -4.6353 -4.6353 -2.8633 -2.8633 -2.8493 -2.8493 0.6073 0.6073 0.9888 0.9888 8.6010 8.6010 9.0934 9.0934 11.4465 11.4465 14.8684 14.8684 k = 0.2222 0.3849-0.0000 ( 1537 PWs) bands (ev): -12.6718 -12.6718 -12.6486 -12.6486 -4.5739 -4.5739 -4.5474 -4.5474 -2.7718 -2.7718 -2.7581 -2.7581 0.5033 0.5033 0.8931 0.8931 8.7067 8.7067 9.2171 9.2171 11.2960 11.2960 14.8185 14.8185 k = 0.2183 0.3780-0.0000 ( 1533 PWs) bands (ev): -12.7415 -12.7415 -12.7178 -12.7178 -4.4823 -4.4823 -4.4561 -4.4561 -2.6795 -2.6795 -2.6663 -2.6663 0.3990 0.3990 0.7970 0.7970 8.8132 8.8132 9.3430 9.3430 11.1476 11.1476 14.7673 14.7673 k = 0.2143 0.3712-0.0000 ( 1533 PWs) bands (ev): -12.8116 -12.8116 -12.7874 -12.7874 -4.3875 -4.3875 -4.3615 -4.3615 -2.5866 -2.5866 -2.5738 -2.5738 0.2949 0.2949 0.7007 0.7007 8.9203 8.9203 9.4710 9.4710 11.0014 11.0014 14.7154 14.7154 k = 0.2103 0.3643-0.0000 ( 1529 PWs) bands (ev): -12.8820 -12.8820 -12.8573 -12.8573 -4.2896 -4.2896 -4.2637 -4.2637 -2.4931 -2.4931 -2.4806 -2.4806 0.1908 0.1908 0.6043 0.6043 9.0274 9.0274 9.6008 9.6008 10.8574 10.8574 14.6636 14.6636 k = 0.2063 0.3574-0.0000 ( 1537 PWs) bands (ev): -12.9525 -12.9525 -12.9273 -12.9273 -4.1887 -4.1887 -4.1630 -4.1630 -2.3990 -2.3990 -2.3870 -2.3870 0.0871 0.0871 0.5081 0.5081 9.1342 9.1342 9.7324 9.7324 10.7157 10.7157 14.6123 14.6123 k = 0.2024 0.3505-0.0000 ( 1539 PWs) bands (ev): -13.0230 -13.0230 -12.9973 -12.9973 -4.0851 -4.0851 -4.0595 -4.0595 -2.3045 -2.3045 -2.2928 -2.2928 -0.0161 -0.0161 0.4121 0.4121 9.2403 9.2403 9.8656 9.8656 10.5763 10.5763 14.5622 14.5623 k = 0.1984 0.3437-0.0000 ( 1539 PWs) bands (ev): -13.0933 -13.0933 -13.0672 -13.0672 -3.9787 -3.9787 -3.9533 -3.9533 -2.2096 -2.2096 -2.1983 -2.1983 -0.1187 -0.1187 0.3166 0.3166 9.3452 9.3452 10.0001 10.0001 10.4392 10.4392 14.5141 14.5141 k = 0.1944 0.3368-0.0000 ( 1535 PWs) bands (ev): -13.1635 -13.1635 -13.1369 -13.1369 -3.8697 -3.8697 -3.8444 -3.8444 -2.1143 -2.1143 -2.1033 -2.1033 -0.2204 -0.2204 0.2216 0.2216 9.4486 9.4486 10.1359 10.1359 10.3045 10.3045 14.4683 14.4683 k = 0.1905 0.3299-0.0000 ( 1535 PWs) bands (ev): -13.2333 -13.2333 -13.2062 -13.2062 -3.7583 -3.7583 -3.7333 -3.7333 -2.0187 -2.0187 -2.0081 -2.0081 -0.3214 -0.3214 0.1272 0.1272 9.5499 9.5499 10.1722 10.1722 10.2728 10.2728 14.4257 14.4257 k = 0.1865 0.3230-0.0000 ( 1527 PWs) bands (ev): -13.3026 -13.3026 -13.2751 -13.2751 -3.6447 -3.6447 -3.6198 -3.6198 -1.9229 -1.9229 -1.9126 -1.9126 -0.4213 -0.4213 0.0337 0.0337 9.6485 9.6485 10.0423 10.0423 10.4106 10.4106 14.3867 14.3867 k = 0.1825 0.3162-0.0000 ( 1539 PWs) bands (ev): -13.3715 -13.3715 -13.3436 -13.3436 -3.5290 -3.5290 -3.5044 -3.5044 -1.8270 -1.8270 -1.8171 -1.8171 -0.5202 -0.5202 -0.0591 -0.0591 9.7440 9.7440 9.9148 9.9148 10.5491 10.5491 14.3520 14.3520 k = 0.1786 0.3093-0.0000 ( 1537 PWs) bands (ev): -13.4397 -13.4397 -13.4114 -13.4114 -3.4113 -3.4113 -3.3869 -3.3869 -1.7310 -1.7310 -1.7215 -1.7215 -0.6178 -0.6178 -0.1507 -0.1507 9.7897 9.7897 9.8360 9.8360 10.6882 10.6882 14.3221 14.3221 k = 0.1746 0.3024-0.0000 ( 1537 PWs) bands (ev): -13.5073 -13.5073 -13.4785 -13.4785 -3.2917 -3.2917 -3.2675 -3.2675 -1.6350 -1.6350 -1.6258 -1.6258 -0.7141 -0.7141 -0.2413 -0.2413 9.6672 9.6672 9.9238 9.9238 10.8277 10.8277 14.2977 14.2977 k = 0.1706 0.2955-0.0000 ( 1529 PWs) bands (ev): -13.5740 -13.5740 -13.5448 -13.5448 -3.1703 -3.1703 -3.1464 -3.1464 -1.5391 -1.5391 -1.5303 -1.5303 -0.8091 -0.8091 -0.3307 -0.3307 9.5471 9.5471 10.0070 10.0070 10.9675 10.9675 14.2792 14.2792 k = 0.1667 0.2887-0.0000 ( 1533 PWs) bands (ev): -13.6400 -13.6400 -13.6103 -13.6103 -3.0474 -3.0474 -3.0237 -3.0237 -1.4434 -1.4434 -1.4349 -1.4349 -0.9026 -0.9026 -0.4189 -0.4189 9.4295 9.4295 10.0851 10.0851 11.1073 11.1073 14.2671 14.2671 k = 0.1627 0.2818-0.0000 ( 1533 PWs) bands (ev): -13.7050 -13.7050 -13.6750 -13.6750 -2.9230 -2.9230 -2.8995 -2.8995 -1.3480 -1.3480 -1.3397 -1.3397 -0.9947 -0.9947 -0.5058 -0.5058 9.3145 9.3145 10.1576 10.1576 11.2470 11.2470 14.2619 14.2619 k = 0.1587 0.2749-0.0000 ( 1529 PWs) bands (ev): -13.7690 -13.7690 -13.7386 -13.7386 -2.7973 -2.7973 -2.7740 -2.7740 -1.2528 -1.2528 -1.2450 -1.2450 -1.0851 -1.0851 -0.5912 -0.5912 9.2019 9.2019 10.2241 10.2241 11.3865 11.3865 14.2815 14.2815 k = 0.1548 0.2681-0.0000 ( 1529 PWs) bands (ev): -13.8321 -13.8321 -13.8013 -13.8013 -2.6704 -2.6704 -2.6474 -2.6474 -1.1744 -1.1744 -1.1582 -1.1582 -1.1501 -1.1501 -0.6752 -0.6752 9.0919 9.0919 10.2844 10.2844 11.5254 11.5254 14.2025 14.2026 k = 0.1508 0.2612-0.0000 ( 1529 PWs) bands (ev): -13.8940 -13.8940 -13.8628 -13.8628 -2.5424 -2.5424 -2.5196 -2.5196 -1.2611 -1.2611 -1.0640 -1.0640 -1.0567 -1.0567 -0.7576 -0.7576 8.9844 8.9844 10.3381 10.3381 11.6639 11.6639 14.1251 14.1251 k = 0.1468 0.2543-0.0000 ( 1529 PWs) bands (ev): -13.9548 -13.9548 -13.9233 -13.9233 -2.4136 -2.4136 -2.3909 -2.3909 -1.3464 -1.3464 -0.9706 -0.9706 -0.9634 -0.9634 -0.8384 -0.8384 8.8795 8.8795 10.3853 10.3853 11.8014 11.8014 14.0492 14.0492 k = 0.1429 0.2474-0.0000 ( 1527 PWs) bands (ev): -14.0144 -14.0144 -13.9825 -13.9825 -2.2839 -2.2839 -2.2615 -2.2615 -1.4299 -1.4299 -0.9180 -0.9180 -0.8774 -0.8774 -0.8709 -0.8709 8.7771 8.7771 10.4258 10.4258 11.9380 11.9380 13.9750 13.9750 k = 0.1389 0.2406-0.0000 ( 1527 PWs) bands (ev): -14.0728 -14.0728 -14.0406 -14.0406 -2.1536 -2.1536 -2.1315 -2.1315 -1.5115 -1.5115 -0.9953 -0.9953 -0.7856 -0.7856 -0.7792 -0.7792 8.6772 8.6772 10.4597 10.4597 12.0733 12.0733 13.9024 13.9024 k = 0.1349 0.2337-0.0000 ( 1523 PWs) bands (ev): -14.1299 -14.1299 -14.0973 -14.0973 -2.0228 -2.0228 -2.0010 -2.0010 -1.5913 -1.5913 -1.0710 -1.0710 -0.6945 -0.6945 -0.6884 -0.6884 8.5799 8.5799 10.4872 10.4872 12.2073 12.2073 13.8315 13.8315 k = 0.1310 0.2268-0.0000 ( 1527 PWs) bands (ev): -14.1857 -14.1857 -14.1528 -14.1528 -1.8918 -1.8918 -1.8702 -1.8702 -1.6690 -1.6690 -1.1450 -1.1450 -0.6045 -0.6045 -0.5987 -0.5987 8.4852 8.4852 10.5085 10.5085 12.3396 12.3396 13.7623 13.7623 k = 0.1270 0.2199-0.0000 ( 1531 PWs) bands (ev): -14.2402 -14.2402 -14.2069 -14.2069 -1.7606 -1.7606 -1.7463 -1.7463 -1.7378 -1.7378 -1.2171 -1.2171 -0.5155 -0.5155 -0.5100 -0.5100 8.3930 8.3930 10.5241 10.5241 12.4702 12.4702 13.6948 13.6948 k = 0.1230 0.2131-0.0000 ( 1527 PWs) bands (ev): -14.2932 -14.2932 -14.2597 -14.2597 -1.8187 -1.8187 -1.6294 -1.6294 -1.6082 -1.6082 -1.2873 -1.2873 -0.4279 -0.4279 -0.4224 -0.4224 8.3034 8.3034 10.5343 10.5343 12.5989 12.5989 13.6290 13.6290 k = 0.1190 0.2062-0.0000 ( 1519 PWs) bands (ev): -14.3449 -14.3449 -14.3110 -14.3110 -1.8904 -1.8904 -1.4983 -1.4983 -1.4774 -1.4774 -1.3556 -1.3556 -0.3415 -0.3415 -0.3363 -0.3363 8.2164 8.2164 10.5397 10.5397 12.7256 12.7256 13.5649 13.5649 k = 0.1151 0.1993-0.0000 ( 1523 PWs) bands (ev): -14.3951 -14.3951 -14.3610 -14.3610 -1.9600 -1.9600 -1.4223 -1.4223 -1.3673 -1.3673 -1.3471 -1.3471 -0.2566 -0.2566 -0.2516 -0.2516 8.1319 8.1319 10.5405 10.5405 12.8498 12.8498 13.5024 13.5024 k = 0.1111 0.1925-0.0000 ( 1523 PWs) bands (ev): -14.4438 -14.4438 -14.4094 -14.4094 -2.0275 -2.0275 -1.4865 -1.4865 -1.2373 -1.2373 -1.2173 -1.2173 -0.1733 -0.1733 -0.1684 -0.1684 8.0501 8.0501 10.5374 10.5374 12.9716 12.9716 13.4416 13.4416 k = 0.1071 0.1856-0.0000 ( 1523 PWs) bands (ev): -14.4910 -14.4910 -14.4563 -14.4563 -2.0929 -2.0929 -1.5489 -1.5489 -1.1079 -1.1079 -1.0883 -1.0883 -0.0916 -0.0916 -0.0869 -0.0869 7.9707 7.9707 10.5308 10.5308 13.0907 13.0907 13.3824 13.3824 k = 0.1032 0.1787-0.0000 ( 1521 PWs) bands (ev): -14.5367 -14.5367 -14.5018 -14.5018 -2.1560 -2.1560 -1.6092 -1.6092 -0.9794 -0.9794 -0.9602 -0.9602 -0.0117 -0.0117 -0.0072 -0.0072 7.8940 7.8940 10.5213 10.5213 13.2069 13.2069 13.3249 13.3249 k = 0.0992 0.1718-0.0000 ( 1525 PWs) bands (ev): -14.5808 -14.5808 -14.5456 -14.5456 -2.2170 -2.2170 -1.6675 -1.6675 -0.8521 -0.8521 -0.8334 -0.8334 0.0663 0.0663 0.0706 0.0706 7.8199 7.8199 10.5092 10.5092 13.2689 13.2689 13.3201 13.3201 k = 0.0952 0.1650-0.0000 ( 1525 PWs) bands (ev): -14.6234 -14.6234 -14.5879 -14.5879 -2.2757 -2.2757 -1.7236 -1.7236 -0.7262 -0.7262 -0.7080 -0.7080 0.1423 0.1423 0.1464 0.1464 7.7483 7.7483 10.4951 10.4951 13.2144 13.2144 13.4301 13.4301 k = 0.0913 0.1581-0.0000 ( 1521 PWs) bands (ev): -14.6643 -14.6643 -14.6287 -14.6287 -2.3322 -2.3322 -1.7776 -1.7776 -0.6019 -0.6019 -0.5842 -0.5842 0.2163 0.2163 0.2202 0.2202 7.6793 7.6793 10.4792 10.4792 13.1615 13.1615 13.5368 13.5368 k = 0.0873 0.1512-0.0000 ( 1521 PWs) bands (ev): -14.7037 -14.7037 -14.6678 -14.6678 -2.3864 -2.3864 -1.8295 -1.8295 -0.4795 -0.4795 -0.4624 -0.4624 0.2879 0.2879 0.2917 0.2917 7.6129 7.6129 10.4619 10.4619 13.1101 13.1101 13.6399 13.6399 k = 0.0833 0.1443-0.0000 ( 1525 PWs) bands (ev): -14.7414 -14.7414 -14.7053 -14.7053 -2.4383 -2.4383 -1.8792 -1.8792 -0.3593 -0.3593 -0.3427 -0.3427 0.3573 0.3573 0.3609 0.3609 7.5492 7.5492 10.4436 10.4436 13.0602 13.0602 13.7393 13.7393 k = 0.0794 0.1375-0.0000 ( 1525 PWs) bands (ev): -14.7774 -14.7774 -14.7411 -14.7411 -2.4879 -2.4879 -1.9267 -1.9267 -0.2414 -0.2414 -0.2255 -0.2255 0.4242 0.4242 0.4277 0.4277 7.4880 7.4880 10.4246 10.4246 13.0118 13.0118 13.8349 13.8349 k = 0.0754 0.1306-0.0000 ( 1517 PWs) bands (ev): -14.8118 -14.8118 -14.7753 -14.7753 -2.5352 -2.5352 -1.9720 -1.9720 -0.1261 -0.1261 -0.1110 -0.1110 0.4887 0.4887 0.4921 0.4921 7.4295 7.4295 10.4052 10.4052 12.9648 12.9648 13.9265 13.9265 k = 0.0714 0.1237-0.0000 ( 1517 PWs) bands (ev): -14.8445 -14.8445 -14.8078 -14.8078 -2.5802 -2.5802 -2.0151 -2.0151 -0.0140 -0.0140 0.0004 0.0004 0.5504 0.5504 0.5538 0.5538 7.3736 7.3736 10.3857 10.3857 12.9192 12.9192 13.9864 13.9864 k = 0.0675 0.1168-0.0000 ( 1513 PWs) bands (ev): -14.8755 -14.8755 -14.8387 -14.8387 -2.6228 -2.6228 -2.0559 -2.0559 0.0949 0.0949 0.1085 0.1085 0.6095 0.6095 0.6127 0.6127 7.3204 7.3204 10.3661 10.3661 12.8751 12.8751 13.9827 13.9827 k = 0.0635 0.1100-0.0000 ( 1513 PWs) bands (ev): -14.9048 -14.9048 -14.8678 -14.8678 -2.6630 -2.6630 -2.0945 -2.0945 0.2001 0.2001 0.2129 0.2129 0.6657 0.6657 0.6688 0.6688 7.2699 7.2699 10.3468 10.3468 12.8325 12.8325 13.9809 13.9809 k = 0.0595 0.1031-0.0000 ( 1509 PWs) bands (ev): -14.9324 -14.9324 -14.8952 -14.8952 -2.7008 -2.7008 -2.1308 -2.1308 0.3013 0.3013 0.3133 0.3133 0.7192 0.7192 0.7221 0.7221 7.2221 7.2221 10.3280 10.3280 12.7913 12.7913 13.9811 13.9811 k = 0.0556 0.0962-0.0000 ( 1513 PWs) bands (ev): -14.9583 -14.9583 -14.9209 -14.9209 -2.7363 -2.7363 -2.1648 -2.1648 0.3983 0.3983 0.4094 0.4094 0.7695 0.7695 0.7723 0.7723 7.1770 7.1770 10.3096 10.3096 12.7517 12.7517 13.9830 13.9830 k = 0.0516 0.0894-0.0000 ( 1513 PWs) bands (ev): -14.9824 -14.9824 -14.9449 -14.9449 -2.7694 -2.7694 -2.1966 -2.1966 0.4906 0.4906 0.5008 0.5008 0.8167 0.8167 0.8194 0.8194 7.1348 7.1348 10.2921 10.2921 12.7137 12.7137 13.9865 13.9865 k = 0.0476 0.0825-0.0000 ( 1517 PWs) bands (ev): -15.0047 -15.0047 -14.9671 -14.9671 -2.8000 -2.8000 -2.2260 -2.2260 0.5779 0.5779 0.5872 0.5872 0.8608 0.8608 0.8634 0.8634 7.0954 7.0954 10.2754 10.2754 12.6774 12.6774 13.9912 13.9912 k = 0.0437 0.0756-0.0000 ( 1513 PWs) bands (ev): -15.0253 -15.0253 -14.9876 -14.9876 -2.8283 -2.8283 -2.2531 -2.2531 0.6598 0.6598 0.6684 0.6684 0.9016 0.9016 0.9041 0.9041 7.0588 7.0588 10.2596 10.2596 12.6429 12.6429 13.9970 13.9970 k = 0.0397 0.0687-0.0000 ( 1509 PWs) bands (ev): -15.0441 -15.0441 -15.0063 -15.0063 -2.8540 -2.8540 -2.2779 -2.2779 0.7361 0.7361 0.7438 0.7438 0.9392 0.9392 0.9416 0.9416 7.0252 7.0252 10.2451 10.2451 12.6104 12.6104 14.0037 14.0037 k = 0.0357 0.0619-0.0000 ( 1513 PWs) bands (ev): -15.0612 -15.0612 -15.0233 -15.0233 -2.8774 -2.8774 -2.3003 -2.3003 0.8063 0.8063 0.8131 0.8131 0.9734 0.9734 0.9757 0.9757 6.9945 6.9945 10.2315 10.2315 12.5800 12.5800 14.0109 14.0109 k = 0.0317 0.0550-0.0000 ( 1509 PWs) bands (ev): -15.0765 -15.0765 -15.0385 -15.0385 -2.8983 -2.8983 -2.3204 -2.3204 0.8702 0.8702 0.8762 0.8762 1.0041 1.0041 1.0065 1.0065 6.9669 6.9669 10.2193 10.2193 12.5520 12.5520 14.0185 14.0185 k = 0.0278 0.0481-0.0000 ( 1513 PWs) bands (ev): -15.0900 -15.0900 -15.0519 -15.0519 -2.9168 -2.9168 -2.3382 -2.3382 0.9273 0.9273 0.9325 0.9325 1.0313 1.0313 1.0337 1.0337 6.9424 6.9424 10.2083 10.2083 12.5265 12.5265 14.0260 14.0316 k = 0.0238 0.0412-0.0000 ( 1505 PWs) bands (ev): -15.1017 -15.1017 -15.0635 -15.0635 -2.9328 -2.9328 -2.3536 -2.3536 0.9776 0.9776 0.9820 0.9820 1.0552 1.0552 1.0576 1.0576 6.9210 6.9210 10.1987 10.1987 12.5038 12.5038 14.0332 14.0333 k = 0.0198 0.0344-0.0000 ( 1509 PWs) bands (ev): -15.1116 -15.1116 -15.0734 -15.0734 -2.9463 -2.9463 -2.3666 -2.3666 1.0204 1.0204 1.0241 1.0241 1.0755 1.0755 1.0779 1.0779 6.9028 6.9028 10.1905 10.1905 12.4841 12.4841 14.0348 14.0349 k = 0.0159 0.0275-0.0000 ( 1505 PWs) bands (ev): -15.1197 -15.1197 -15.0814 -15.0814 -2.9574 -2.9574 -2.3773 -2.3773 1.0555 1.0555 1.0588 1.0588 1.0924 1.0924 1.0949 1.0949 6.8878 6.8878 10.1837 10.1837 12.4676 12.4676 14.0362 14.0362 k = 0.0119 0.0206-0.0000 ( 1505 PWs) bands (ev): -15.1260 -15.1260 -15.0877 -15.0877 -2.9661 -2.9661 -2.3856 -2.3856 1.0826 1.0826 1.0854 1.0854 1.1061 1.1061 1.1085 1.1085 6.8761 6.8761 10.1784 10.1784 12.4546 12.4546 14.0374 14.0374 k = 0.0079 0.0137-0.0000 ( 1499 PWs) bands (ev): -15.1305 -15.1305 -15.0922 -15.0922 -2.9723 -2.9723 -2.3915 -2.3915 1.1011 1.1011 1.1037 1.1037 1.1168 1.1168 1.1192 1.1192 6.8677 6.8677 10.1746 10.1746 12.4451 12.4451 14.0380 14.0380 k = 0.0040 0.0069-0.0000 ( 1497 PWs) bands (ev): -15.1332 -15.1332 -15.0949 -15.0949 -2.9760 -2.9760 -2.3951 -2.3951 1.1112 1.1112 1.1136 1.1136 1.1244 1.1244 1.1268 1.1268 6.8627 6.8627 10.1723 10.1723 12.4394 12.4394 14.0376 14.0376 k = 0.0000 0.0000 0.0000 ( 1497 PWs) bands (ev): -15.1342 -15.1342 -15.0958 -15.0958 -2.9772 -2.9772 -2.3963 -2.3963 1.1143 1.1143 1.1166 1.1166 1.1273 1.1273 1.1296 1.1296 6.8610 6.8610 10.1715 10.1715 12.4375 12.4375 14.0363 14.0363 k = 0.0000 0.0000 0.0000 ( 1497 PWs) bands (ev): -15.1342 -15.1342 -15.0958 -15.0958 -2.9772 -2.9772 -2.3963 -2.3963 1.1143 1.1143 1.1166 1.1166 1.1273 1.1273 1.1296 1.1296 6.8610 6.8610 10.1715 10.1715 12.4375 12.4375 14.0363 14.0364 k = 0.0000 0.0000 0.0079 ( 1497 PWs) bands (ev): -15.1341 -15.1341 -15.0959 -15.0959 -2.9763 -2.9763 -2.3974 -2.3974 1.1143 1.1143 1.1166 1.1166 1.1273 1.1273 1.1296 1.1296 6.8649 6.8649 10.1591 10.1591 12.4486 12.4486 14.0363 14.0365 k = 0.0000 0.0000 0.0158 ( 1497 PWs) bands (ev): -15.1339 -15.1339 -15.0961 -15.0961 -2.9736 -2.9736 -2.4007 -2.4007 1.1143 1.1143 1.1166 1.1166 1.1273 1.1273 1.1296 1.1296 6.8765 6.8765 10.1226 10.1226 12.4810 12.4810 14.0364 14.0365 k = 0.0000 0.0000 0.0237 ( 1497 PWs) bands (ev): -15.1336 -15.1336 -15.0964 -15.0964 -2.9692 -2.9692 -2.4062 -2.4062 1.1143 1.1143 1.1166 1.1166 1.1273 1.1273 1.1296 1.1296 6.8957 6.8957 10.0643 10.0643 12.5325 12.5325 14.0366 14.0366 k = 0.0000 0.0000 0.0316 ( 1497 PWs) bands (ev): -15.1331 -15.1331 -15.0968 -15.0968 -2.9630 -2.9630 -2.4139 -2.4139 1.1143 1.1143 1.1165 1.1165 1.1273 1.1273 1.1295 1.1295 6.9226 6.9226 9.9871 9.9871 12.6001 12.6001 14.0368 14.0368 k = 0.0000 0.0000 0.0394 ( 1491 PWs) bands (ev): -15.1325 -15.1325 -15.0974 -15.0974 -2.9551 -2.9551 -2.4234 -2.4234 1.1145 1.1145 1.1165 1.1165 1.1275 1.1275 1.1295 1.1295 6.9569 6.9569 9.8944 9.8944 12.6805 12.6805 14.0371 14.0371 k = 0.0000 0.0000 0.0473 ( 1491 PWs) bands (ev): -15.1318 -15.1318 -15.0981 -15.0981 -2.9455 -2.9455 -2.4351 -2.4351 1.1145 1.1145 1.1164 1.1164 1.1275 1.1275 1.1294 1.1294 6.9987 6.9987 9.7894 9.7894 12.7705 12.7705 14.0374 14.0375 k = 0.0000 0.0000 0.0552 ( 1491 PWs) bands (ev): -15.1310 -15.1310 -15.0989 -15.0989 -2.9343 -2.9343 -2.4486 -2.4486 1.1146 1.1146 1.1164 1.1164 1.1276 1.1276 1.1294 1.1294 7.0477 7.0477 9.6749 9.6749 12.8673 12.8673 14.0378 14.0380 k = 0.0000 0.0000 0.0631 ( 1491 PWs) bands (ev): -15.1301 -15.1301 -15.0999 -15.0999 -2.9215 -2.9215 -2.4639 -2.4639 1.1146 1.1146 1.1163 1.1163 1.1276 1.1276 1.1293 1.1293 7.1038 7.1038 9.5533 9.5533 12.9686 12.9686 14.0382 14.0383 k = 0.0000 0.0000 0.0710 ( 1491 PWs) bands (ev): -15.1291 -15.1291 -15.1009 -15.1009 -2.9072 -2.9072 -2.4807 -2.4807 1.1147 1.1147 1.1163 1.1163 1.1277 1.1277 1.1293 1.1293 7.1669 7.1669 9.4264 9.4264 13.0726 13.0726 14.0387 14.0389 k = 0.0000 0.0000 0.0789 ( 1492 PWs) bands (ev): -15.1280 -15.1280 -15.1020 -15.1020 -2.8915 -2.8915 -2.4991 -2.4991 1.1148 1.1148 1.1162 1.1162 1.1278 1.1278 1.1292 1.1292 7.2366 7.2366 9.2959 9.2959 13.1775 13.1775 14.0392 14.0393 k = 0.0000 0.0000 0.0868 ( 1492 PWs) bands (ev): -15.1268 -15.1268 -15.1032 -15.1032 -2.8745 -2.8745 -2.5187 -2.5187 1.1148 1.1148 1.1161 1.1161 1.1278 1.1278 1.1291 1.1291 7.3128 7.3128 9.1632 9.1632 13.2823 13.2823 14.0398 14.0400 k = 0.0000 0.0000 0.0947 ( 1474 PWs) bands (ev): -15.1255 -15.1255 -15.1045 -15.1045 -2.8560 -2.8560 -2.5393 -2.5393 1.1149 1.1149 1.1162 1.1162 1.1279 1.1279 1.1292 1.1292 7.3953 7.3953 9.0294 9.0294 13.3861 13.3861 14.0404 14.0404 k = 0.0000 0.0000 0.1025 ( 1474 PWs) bands (ev): -15.1241 -15.1241 -15.1059 -15.1059 -2.8366 -2.8366 -2.5611 -2.5611 1.1150 1.1150 1.1161 1.1161 1.1280 1.1280 1.1291 1.1291 7.4837 7.4837 8.8953 8.8953 13.4878 13.4878 14.0411 14.0413 k = 0.0000 0.0000 0.1104 ( 1456 PWs) bands (ev): -15.1227 -15.1227 -15.1073 -15.1073 -2.8159 -2.8159 -2.5836 -2.5836 1.1151 1.1151 1.1162 1.1162 1.1281 1.1281 1.1292 1.1292 7.5779 7.5779 8.7618 8.7618 13.5872 13.5872 14.0418 14.0420 k = 0.0000 0.0000 0.1183 ( 1456 PWs) bands (ev): -15.1212 -15.1212 -15.1088 -15.1088 -2.7945 -2.7945 -2.6068 -2.6068 1.1152 1.1152 1.1161 1.1161 1.1282 1.1282 1.1291 1.1291 7.6775 7.6775 8.6295 8.6295 13.6834 13.6834 14.0425 14.0425 k = 0.0000 0.0000 0.1262 ( 1456 PWs) bands (ev): -15.1197 -15.1197 -15.1103 -15.1103 -2.7723 -2.7723 -2.6304 -2.6304 1.1153 1.1153 1.1160 1.1160 1.1283 1.1283 1.1290 1.1290 7.7822 7.7822 8.4990 8.4990 13.7762 13.7762 14.0432 14.0474 k = 0.0000 0.0000 0.1341 ( 1462 PWs) bands (ev): -15.1182 -15.1182 -15.1119 -15.1119 -2.7495 -2.7495 -2.6543 -2.6543 1.1154 1.1154 1.1158 1.1158 1.1284 1.1284 1.1288 1.1288 7.8918 7.8918 8.3710 8.3710 13.8653 13.8653 14.0439 14.0441 k = 0.0000 0.0000 0.1420 ( 1462 PWs) bands (ev): -15.1166 -15.1166 -15.1134 -15.1134 -2.7261 -2.7261 -2.6783 -2.6783 1.1155 1.1155 1.1157 1.1157 1.1285 1.1285 1.1287 1.1287 8.0058 8.0058 8.2458 8.2458 13.9506 13.9506 14.0448 14.0453 k = 0.0000 0.0000 0.1499 ( 1462 PWs) bands (ev): -15.1150 -15.1150 -15.1150 -15.1150 -2.7023 -2.7023 -2.7023 -2.7023 1.1156 1.1156 1.1156 1.1156 1.1286 1.1286 1.1286 1.1286 8.1239 8.1239 8.1239 8.1239 14.0317 14.0317 14.0317 14.0318 k = 0.0000 0.0000 0.1499 ( 1462 PWs) bands (ev): -15.1150 -15.1150 -15.1150 -15.1150 -2.7023 -2.7023 -2.7023 -2.7023 1.1156 1.1156 1.1156 1.1156 1.1286 1.1286 1.1286 1.1286 8.1239 8.1239 8.1239 8.1239 14.0317 14.0317 14.0317 14.0318 k = 0.0068 0.0040 0.1499 ( 1462 PWs) bands (ev): -15.1141 -15.1141 -15.1141 -15.1141 -2.7011 -2.7011 -2.7011 -2.7011 1.1126 1.1126 1.1126 1.1126 1.1258 1.1258 1.1258 1.1258 8.1254 8.1254 8.1254 8.1254 14.0220 14.0220 14.0220 14.0220 k = 0.0137 0.0079 0.1499 ( 1464 PWs) bands (ev): -15.1114 -15.1114 -15.1114 -15.1114 -2.6975 -2.6975 -2.6975 -2.6975 1.1027 1.1027 1.1027 1.1027 1.1183 1.1183 1.1183 1.1183 8.1299 8.1299 8.1299 8.1299 14.0063 14.0063 14.0064 14.0064 k = 0.0205 0.0119 0.1499 ( 1464 PWs) bands (ev): -15.1070 -15.1070 -15.1070 -15.1070 -2.6915 -2.6915 -2.6915 -2.6915 1.0845 1.0845 1.0845 1.0845 1.1077 1.1077 1.1077 1.1077 8.1373 8.1373 8.1373 8.1373 13.9894 13.9894 13.9894 13.9895 k = 0.0274 0.0158 0.1499 ( 1468 PWs) bands (ev): -15.1007 -15.1007 -15.1007 -15.1007 -2.6831 -2.6831 -2.6831 -2.6831 1.0577 1.0577 1.0577 1.0577 1.0942 1.0942 1.0942 1.0942 8.1477 8.1477 8.1477 8.1477 13.9715 13.9715 13.9715 13.9715 k = 0.0342 0.0198 0.1499 ( 1472 PWs) bands (ev): -15.0927 -15.0927 -15.0927 -15.0927 -2.6722 -2.6722 -2.6722 -2.6722 1.0229 1.0229 1.0229 1.0229 1.0776 1.0776 1.0776 1.0776 8.1609 8.1609 8.1609 8.1609 13.9527 13.9527 13.9527 13.9527 k = 0.0411 0.0237 0.1499 ( 1480 PWs) bands (ev): -15.0829 -15.0829 -15.0829 -15.0829 -2.6590 -2.6590 -2.6590 -2.6590 0.9803 0.9803 0.9803 0.9803 1.0576 1.0576 1.0576 1.0576 8.1771 8.1771 8.1771 8.1771 13.9327 13.9327 13.9327 13.9327 k = 0.0479 0.0277 0.1499 ( 1480 PWs) bands (ev): -15.0713 -15.0713 -15.0713 -15.0713 -2.6434 -2.6434 -2.6434 -2.6434 0.9305 0.9305 0.9305 0.9305 1.0345 1.0345 1.0345 1.0345 8.1960 8.1960 8.1960 8.1960 13.9116 13.9116 13.9116 13.9116 k = 0.0548 0.0316 0.1499 ( 1480 PWs) bands (ev): -15.0579 -15.0579 -15.0579 -15.0579 -2.6254 -2.6254 -2.6254 -2.6254 0.8734 0.8734 0.8734 0.8734 1.0081 1.0081 1.0081 1.0081 8.2177 8.2177 8.2177 8.2177 13.8892 13.8892 13.8892 13.8892 k = 0.0616 0.0356 0.1499 ( 1480 PWs) bands (ev): -15.0428 -15.0428 -15.0428 -15.0428 -2.6050 -2.6050 -2.6050 -2.6050 0.8094 0.8094 0.8094 0.8094 0.9787 0.9787 0.9787 0.9787 8.2422 8.2422 8.2422 8.2422 13.8655 13.8655 13.8655 13.8655 k = 0.0685 0.0395 0.1499 ( 1484 PWs) bands (ev): -15.0259 -15.0259 -15.0259 -15.0259 -2.5822 -2.5822 -2.5822 -2.5822 0.7387 0.7387 0.7387 0.7387 0.9463 0.9463 0.9463 0.9463 8.2692 8.2692 8.2692 8.2692 13.8401 13.8401 13.8401 13.8401 k = 0.0753 0.0435 0.1499 ( 1492 PWs) bands (ev): -15.0073 -15.0073 -15.0073 -15.0073 -2.5571 -2.5571 -2.5571 -2.5571 0.6615 0.6615 0.6615 0.6615 0.9109 0.9109 0.9109 0.9109 8.2989 8.2989 8.2989 8.2989 13.8131 13.8131 13.8131 13.8131 k = 0.0822 0.0475 0.1499 ( 1492 PWs) bands (ev): -14.9869 -14.9869 -14.9869 -14.9869 -2.5296 -2.5296 -2.5296 -2.5296 0.5783 0.5783 0.5783 0.5783 0.8729 0.8729 0.8729 0.8729 8.3310 8.3310 8.3310 8.3310 13.7844 13.7844 13.7844 13.7844 k = 0.0890 0.0514 0.1499 ( 1496 PWs) bands (ev): -14.9647 -14.9647 -14.9647 -14.9647 -2.4997 -2.4997 -2.4997 -2.4997 0.4892 0.4892 0.4892 0.4892 0.8324 0.8324 0.8324 0.8324 8.3657 8.3657 8.3657 8.3657 13.7537 13.7537 13.7537 13.7537 k = 0.0959 0.0554 0.1499 ( 1504 PWs) bands (ev): -14.9409 -14.9409 -14.9409 -14.9409 -2.4675 -2.4675 -2.4675 -2.4675 0.3945 0.3945 0.3945 0.3945 0.7893 0.7893 0.7893 0.7893 8.4026 8.4026 8.4026 8.4026 13.7209 13.7209 13.7209 13.7209 k = 0.1027 0.0593 0.1499 ( 1508 PWs) bands (ev): -14.9153 -14.9153 -14.9153 -14.9153 -2.4330 -2.4330 -2.4330 -2.4330 0.2946 0.2946 0.2946 0.2946 0.7441 0.7441 0.7441 0.7441 8.4419 8.4419 8.4419 8.4419 13.6859 13.6859 13.6859 13.6859 k = 0.1096 0.0633 0.1499 ( 1508 PWs) bands (ev): -14.8880 -14.8880 -14.8880 -14.8880 -2.3961 -2.3961 -2.3961 -2.3961 0.1897 0.1897 0.1897 0.1897 0.6968 0.6968 0.6968 0.6968 8.4834 8.4834 8.4834 8.4834 13.6485 13.6485 13.6485 13.6485 k = 0.1164 0.0672 0.1499 ( 1514 PWs) bands (ev): -14.8590 -14.8590 -14.8590 -14.8590 -2.3570 -2.3570 -2.3570 -2.3570 0.0800 0.0800 0.0800 0.0800 0.6475 0.6475 0.6475 0.6475 8.5271 8.5271 8.5271 8.5271 13.6083 13.6083 13.6083 13.6083 k = 0.1233 0.0712 0.1499 ( 1518 PWs) bands (ev): -14.8283 -14.8283 -14.8283 -14.8283 -2.3155 -2.3155 -2.3155 -2.3155 -0.0341 -0.0341 -0.0341 -0.0341 0.5964 0.5964 0.5964 0.5964 8.5729 8.5729 8.5729 8.5729 13.5651 13.5651 13.5651 13.5651 k = 0.1301 0.0751 0.1499 ( 1518 PWs) bands (ev): -14.7959 -14.7959 -14.7959 -14.7959 -2.2717 -2.2717 -2.2717 -2.2717 -0.1522 -0.1522 -0.1522 -0.1522 0.5438 0.5438 0.5438 0.5438 8.6206 8.6206 8.6206 8.6206 13.5185 13.5185 13.5185 13.5185 k = 0.1370 0.0791 0.1499 ( 1518 PWs) bands (ev): -14.7618 -14.7618 -14.7618 -14.7618 -2.2257 -2.2257 -2.2257 -2.2257 -0.2741 -0.2741 -0.2741 -0.2741 0.4897 0.4897 0.4897 0.4897 8.6703 8.6703 8.6703 8.6703 13.4683 13.4683 13.4683 13.4683 k = 0.1438 0.0830 0.1499 ( 1518 PWs) bands (ev): -14.7261 -14.7261 -14.7261 -14.7261 -2.1775 -2.1775 -2.1775 -2.1775 -0.3996 -0.3996 -0.3996 -0.3996 0.4344 0.4344 0.4344 0.4344 8.7219 8.7219 8.7219 8.7219 13.4140 13.4140 13.4140 13.4140 k = 0.1507 0.0870 0.1499 ( 1514 PWs) bands (ev): -14.6888 -14.6888 -14.6888 -14.6888 -2.1270 -2.1270 -2.1270 -2.1270 -0.5283 -0.5283 -0.5283 -0.5283 0.3780 0.3780 0.3780 0.3780 8.7752 8.7752 8.7752 8.7752 13.3554 13.3554 13.3554 13.3554 k = 0.1575 0.0910 0.1499 ( 1514 PWs) bands (ev): -14.6499 -14.6499 -14.6499 -14.6499 -2.0744 -2.0744 -2.0744 -2.0744 -0.6600 -0.6600 -0.6600 -0.6600 0.3206 0.3206 0.3206 0.3206 8.8301 8.8301 8.8301 8.8301 13.2921 13.2921 13.2921 13.2921 k = 0.1644 0.0949 0.1499 ( 1512 PWs) bands (ev): -14.6093 -14.6093 -14.6093 -14.6093 -2.0196 -2.0196 -2.0196 -2.0196 -0.7944 -0.7944 -0.7944 -0.7944 0.2624 0.2624 0.2624 0.2624 8.8866 8.8866 8.8866 8.8866 13.2238 13.2238 13.2238 13.2238 k = 0.1712 0.0989 0.1499 ( 1512 PWs) bands (ev): -14.5672 -14.5672 -14.5672 -14.5672 -1.9627 -1.9627 -1.9627 -1.9627 -0.9313 -0.9313 -0.9313 -0.9313 0.2035 0.2035 0.2035 0.2035 8.9445 8.9445 8.9445 8.9445 13.1504 13.1504 13.1504 13.1504 k = 0.1781 0.1028 0.1499 ( 1510 PWs) bands (ev): -14.5236 -14.5236 -14.5236 -14.5236 -1.9037 -1.9037 -1.9037 -1.9037 -1.0703 -1.0703 -1.0703 -1.0703 0.1441 0.1441 0.1441 0.1441 9.0037 9.0037 9.0037 9.0037 13.0719 13.0719 13.0719 13.0719 k = 0.1849 0.1068 0.1499 ( 1510 PWs) bands (ev): -14.4784 -14.4784 -14.4784 -14.4784 -1.8430 -1.8430 -1.8430 -1.8430 -1.2110 -1.2110 -1.2110 -1.2110 0.0843 0.0843 0.0843 0.0843 9.0640 9.0640 9.0640 9.0640 12.9883 12.9883 12.9883 12.9883 k = 0.1918 0.1107 0.1499 ( 1512 PWs) bands (ev): -14.4317 -14.4317 -14.4317 -14.4317 -1.7807 -1.7807 -1.7807 -1.7807 -1.3530 -1.3530 -1.3530 -1.3530 0.0242 0.0242 0.0242 0.0242 9.1252 9.1252 9.1252 9.1252 12.8999 12.8999 12.8999 12.8999 k = 0.1986 0.1147 0.1499 ( 1512 PWs) bands (ev): -14.3835 -14.3835 -14.3835 -14.3835 -1.7188 -1.7188 -1.7188 -1.7188 -1.4941 -1.4941 -1.4941 -1.4941 -0.0360 -0.0360 -0.0360 -0.0360 9.1872 9.1872 9.1872 9.1872 12.8071 12.8071 12.8071 12.8071 k = 0.2055 0.1186 0.1499 ( 1508 PWs) bands (ev): -14.3339 -14.3339 -14.3339 -14.3339 -1.6862 -1.6862 -1.6862 -1.6862 -1.6052 -1.6052 -1.6052 -1.6052 -0.0962 -0.0962 -0.0962 -0.0962 9.2495 9.2495 9.2495 9.2495 12.7101 12.7101 12.7101 12.7101 k = 0.2123 0.1226 0.1499 ( 1504 PWs) bands (ev): -14.2828 -14.2828 -14.2828 -14.2828 -1.8021 -1.8021 -1.8021 -1.8021 -1.5669 -1.5669 -1.5669 -1.5669 -0.1563 -0.1563 -0.1563 -0.1563 9.3120 9.3120 9.3120 9.3120 12.6097 12.6097 12.6097 12.6097 k = 0.2192 0.1265 0.1499 ( 1508 PWs) bands (ev): -14.2304 -14.2304 -14.2304 -14.2304 -1.9469 -1.9469 -1.9469 -1.9469 -1.4989 -1.4989 -1.4989 -1.4989 -0.2162 -0.2162 -0.2162 -0.2162 9.3742 9.3742 9.3742 9.3742 12.5064 12.5064 12.5064 12.5064 k = 0.2260 0.1305 0.1499 ( 1516 PWs) bands (ev): -14.1767 -14.1767 -14.1767 -14.1767 -2.0946 -2.0946 -2.0946 -2.0946 -1.4267 -1.4267 -1.4267 -1.4267 -0.2759 -0.2759 -0.2759 -0.2759 9.4356 9.4356 9.4356 9.4356 12.4009 12.4009 12.4009 12.4009 k = 0.2329 0.1345 0.1499 ( 1516 PWs) bands (ev): -14.1216 -14.1216 -14.1216 -14.1216 -2.2435 -2.2435 -2.2435 -2.2435 -1.3520 -1.3520 -1.3520 -1.3520 -0.3350 -0.3350 -0.3350 -0.3350 9.4957 9.4957 9.4957 9.4957 12.2941 12.2941 12.2941 12.2941 k = 0.2397 0.1384 0.1499 ( 1520 PWs) bands (ev): -14.0653 -14.0653 -14.0653 -14.0653 -2.3929 -2.3929 -2.3929 -2.3929 -1.2752 -1.2752 -1.2752 -1.2752 -0.3937 -0.3937 -0.3937 -0.3937 9.5537 9.5537 9.5537 9.5537 12.1871 12.1871 12.1871 12.1871 k = 0.2466 0.1424 0.1499 ( 1524 PWs) bands (ev): -14.0078 -14.0078 -14.0078 -14.0078 -2.5427 -2.5427 -2.5427 -2.5427 -1.1965 -1.1965 -1.1965 -1.1965 -0.4518 -0.4518 -0.4518 -0.4518 9.6087 9.6087 9.6087 9.6087 12.0810 12.0810 12.0810 12.0810 k = 0.2534 0.1463 0.1499 ( 1526 PWs) bands (ev): -13.9491 -13.9491 -13.9491 -13.9491 -2.6926 -2.6926 -2.6926 -2.6926 -1.1161 -1.1161 -1.1161 -1.1161 -0.5091 -0.5091 -0.5091 -0.5091 9.6595 9.6595 9.6595 9.6595 11.9770 11.9770 11.9770 11.9770 k = 0.2603 0.1503 0.1499 ( 1530 PWs) bands (ev): -13.8893 -13.8893 -13.8893 -13.8893 -2.8423 -2.8423 -2.8423 -2.8423 -1.0340 -1.0340 -1.0340 -1.0340 -0.5657 -0.5657 -0.5657 -0.5657 9.7048 9.7048 9.7048 9.7048 11.8770 11.8770 11.8770 11.8770 k = 0.2671 0.1542 0.1499 ( 1526 PWs) bands (ev): -13.8285 -13.8285 -13.8285 -13.8285 -2.9916 -2.9916 -2.9916 -2.9916 -0.9502 -0.9502 -0.9502 -0.9502 -0.6214 -0.6214 -0.6214 -0.6214 9.7428 9.7428 9.7428 9.7428 11.7828 11.7828 11.7828 11.7828 k = 0.2740 0.1582 0.1499 ( 1526 PWs) bands (ev): -13.7666 -13.7666 -13.7666 -13.7666 -3.1404 -3.1404 -3.1404 -3.1404 -0.8650 -0.8650 -0.8650 -0.8650 -0.6762 -0.6762 -0.6762 -0.6762 9.7716 9.7716 9.7716 9.7716 11.6965 11.6965 11.6965 11.6965 k = 0.2808 0.1621 0.1499 ( 1530 PWs) bands (ev): -13.7039 -13.7039 -13.7039 -13.7039 -3.2886 -3.2886 -3.2886 -3.2886 -0.7784 -0.7784 -0.7784 -0.7784 -0.7297 -0.7297 -0.7297 -0.7297 9.7887 9.7887 9.7887 9.7887 11.6205 11.6205 11.6205 11.6205 k = 0.2877 0.1661 0.1499 ( 1530 PWs) bands (ev): -13.6403 -13.6403 -13.6403 -13.6403 -3.4358 -3.4358 -3.4358 -3.4358 -0.7829 -0.7829 -0.7829 -0.7829 -0.6899 -0.6899 -0.6899 -0.6899 9.7921 9.7921 9.7921 9.7921 11.5571 11.5571 11.5571 11.5571 k = 0.2945 0.1700 0.1499 ( 1530 PWs) bands (ev): -13.5759 -13.5759 -13.5759 -13.5759 -3.5820 -3.5820 -3.5820 -3.5820 -0.8344 -0.8344 -0.8344 -0.8344 -0.6006 -0.6006 -0.6006 -0.6006 9.7799 9.7799 9.7799 9.7799 11.5084 11.5084 11.5084 11.5084 k = 0.3014 0.1740 0.1499 ( 1528 PWs) bands (ev): -13.5108 -13.5108 -13.5108 -13.5108 -3.7269 -3.7269 -3.7269 -3.7269 -0.8847 -0.8847 -0.8847 -0.8847 -0.5101 -0.5101 -0.5101 -0.5101 9.7506 9.7506 9.7506 9.7506 11.4755 11.4755 11.4755 11.4755 k = 0.3082 0.1780 0.1499 ( 1524 PWs) bands (ev): -13.4452 -13.4452 -13.4452 -13.4452 -3.8703 -3.8703 -3.8703 -3.8703 -0.9338 -0.9338 -0.9338 -0.9338 -0.4185 -0.4185 -0.4185 -0.4185 9.7043 9.7043 9.7043 9.7043 11.4588 11.4588 11.4588 11.4588 k = 0.3151 0.1819 0.1499 ( 1524 PWs) bands (ev): -13.3791 -13.3791 -13.3791 -13.3791 -4.0122 -4.0122 -4.0122 -4.0122 -0.9816 -0.9816 -0.9816 -0.9816 -0.3260 -0.3260 -0.3260 -0.3260 9.6416 9.6416 9.6416 9.6416 11.4574 11.4574 11.4574 11.4574 k = 0.3219 0.1859 0.1499 ( 1520 PWs) bands (ev): -13.3126 -13.3126 -13.3126 -13.3126 -4.1523 -4.1523 -4.1523 -4.1523 -1.0281 -1.0281 -1.0281 -1.0281 -0.2326 -0.2326 -0.2326 -0.2326 9.5645 9.5645 9.5645 9.5645 11.4694 11.4694 11.4694 11.4694 k = 0.3288 0.1898 0.1499 ( 1520 PWs) bands (ev): -13.2458 -13.2458 -13.2458 -13.2458 -4.2905 -4.2905 -4.2905 -4.2905 -1.0732 -1.0732 -1.0732 -1.0732 -0.1386 -0.1386 -0.1386 -0.1386 9.4748 9.4748 9.4748 9.4748 11.4926 11.4926 11.4926 11.4926 k = 0.3356 0.1938 0.1499 ( 1518 PWs) bands (ev): -13.1789 -13.1789 -13.1789 -13.1789 -4.4264 -4.4264 -4.4264 -4.4264 -1.1168 -1.1168 -1.1168 -1.1168 -0.0442 -0.0442 -0.0442 -0.0442 9.3751 9.3751 9.3751 9.3751 11.5245 11.5245 11.5245 11.5245 k = 0.3425 0.1977 0.1499 ( 1522 PWs) bands (ev): -13.1121 -13.1121 -13.1121 -13.1121 -4.5600 -4.5600 -4.5600 -4.5600 -1.1590 -1.1590 -1.1590 -1.1590 0.0506 0.0506 0.0506 0.0506 9.2675 9.2675 9.2675 9.2675 11.5628 11.5628 11.5628 11.5628 k = 0.3493 0.2017 0.1499 ( 1520 PWs) bands (ev): -13.0454 -13.0454 -13.0454 -13.0454 -4.6909 -4.6909 -4.6909 -4.6909 -1.1996 -1.1996 -1.1996 -1.1996 0.1455 0.1455 0.1455 0.1455 9.1541 9.1541 9.1541 9.1541 11.6054 11.6054 11.6054 11.6054 k = 0.3562 0.2056 0.1499 ( 1522 PWs) bands (ev): -12.9790 -12.9790 -12.9790 -12.9790 -4.8190 -4.8190 -4.8190 -4.8190 -1.2386 -1.2386 -1.2386 -1.2386 0.2403 0.2403 0.2403 0.2403 9.0363 9.0363 9.0363 9.0363 11.6505 11.6505 11.6505 11.6505 k = 0.3630 0.2096 0.1499 ( 1522 PWs) bands (ev): -12.9131 -12.9131 -12.9131 -12.9131 -4.9441 -4.9441 -4.9441 -4.9441 -1.2760 -1.2760 -1.2760 -1.2760 0.3349 0.3349 0.3349 0.3349 8.9159 8.9159 8.9159 8.9159 11.6966 11.6966 11.6966 11.6966 k = 0.3699 0.2135 0.1499 ( 1522 PWs) bands (ev): -12.8480 -12.8480 -12.8480 -12.8480 -5.0659 -5.0659 -5.0659 -5.0659 -1.3118 -1.3118 -1.3118 -1.3118 0.4289 0.4289 0.4289 0.4289 8.7939 8.7939 8.7939 8.7939 11.7425 11.7425 11.7425 11.7425 k = 0.3767 0.2175 0.1499 ( 1526 PWs) bands (ev): -12.7837 -12.7837 -12.7837 -12.7837 -5.1842 -5.1842 -5.1842 -5.1842 -1.3460 -1.3460 -1.3460 -1.3460 0.5220 0.5220 0.5220 0.5220 8.6716 8.6716 8.6716 8.6716 11.7870 11.7870 11.7870 11.7870 k = 0.3836 0.2214 0.1499 ( 1526 PWs) bands (ev): -12.7205 -12.7205 -12.7205 -12.7205 -5.2987 -5.2987 -5.2987 -5.2987 -1.3784 -1.3784 -1.3784 -1.3784 0.6140 0.6140 0.6140 0.6140 8.5497 8.5497 8.5497 8.5497 11.8294 11.8294 11.8294 11.8294 k = 0.3904 0.2254 0.1499 ( 1528 PWs) bands (ev): -12.6587 -12.6587 -12.6587 -12.6587 -5.4091 -5.4091 -5.4091 -5.4091 -1.4092 -1.4092 -1.4092 -1.4092 0.7046 0.7046 0.7046 0.7046 8.4292 8.4292 8.4292 8.4292 11.8692 11.8692 11.8692 11.8692 k = 0.3973 0.2294 0.1499 ( 1524 PWs) bands (ev): -12.5985 -12.5985 -12.5985 -12.5985 -5.5151 -5.5151 -5.5151 -5.5151 -1.4381 -1.4381 -1.4381 -1.4381 0.7934 0.7934 0.7934 0.7934 8.3109 8.3109 8.3109 8.3109 11.9060 11.9060 11.9060 11.9060 k = 0.4041 0.2333 0.1499 ( 1536 PWs) bands (ev): -12.5401 -12.5401 -12.5401 -12.5401 -5.6165 -5.6165 -5.6165 -5.6165 -1.4655 -1.4655 -1.4655 -1.4655 0.8799 0.8799 0.8799 0.8799 8.1955 8.1955 8.1955 8.1955 11.9395 11.9395 11.9395 11.9395 k = 0.4110 0.2373 0.1499 ( 1536 PWs) bands (ev): -12.4839 -12.4839 -12.4839 -12.4839 -5.7129 -5.7129 -5.7129 -5.7129 -1.4909 -1.4909 -1.4909 -1.4909 0.9637 0.9637 0.9637 0.9637 8.0838 8.0838 8.0838 8.0838 11.9697 11.9697 11.9697 11.9697 k = 0.4178 0.2412 0.1499 ( 1532 PWs) bands (ev): -12.4301 -12.4301 -12.4301 -12.4301 -5.8040 -5.8040 -5.8040 -5.8040 -1.5145 -1.5145 -1.5145 -1.5145 1.0445 1.0445 1.0445 1.0445 7.9765 7.9765 7.9765 7.9765 11.9967 11.9967 11.9967 11.9967 k = 0.4247 0.2452 0.1499 ( 1534 PWs) bands (ev): -12.3791 -12.3791 -12.3791 -12.3791 -5.8896 -5.8896 -5.8896 -5.8896 -1.5363 -1.5363 -1.5363 -1.5363 1.1217 1.1217 1.1217 1.1217 7.8742 7.8742 7.8742 7.8742 12.0205 12.0205 12.0205 12.0205 k = 0.4315 0.2491 0.1499 ( 1532 PWs) bands (ev): -12.3310 -12.3310 -12.3310 -12.3310 -5.9691 -5.9691 -5.9691 -5.9691 -1.5562 -1.5562 -1.5562 -1.5562 1.1949 1.1949 1.1949 1.1949 7.7777 7.7777 7.7777 7.7777 12.0414 12.0414 12.0414 12.0414 k = 0.4384 0.2531 0.1499 ( 1532 PWs) bands (ev): -12.2864 -12.2864 -12.2864 -12.2864 -6.0424 -6.0424 -6.0424 -6.0424 -1.5743 -1.5743 -1.5743 -1.5743 1.2633 1.2633 1.2633 1.2633 7.6876 7.6876 7.6876 7.6876 12.0594 12.0594 12.0594 12.0595 k = 0.4452 0.2570 0.1499 ( 1532 PWs) bands (ev): -12.2453 -12.2453 -12.2453 -12.2453 -6.1090 -6.1090 -6.1090 -6.1090 -1.5905 -1.5905 -1.5905 -1.5905 1.3267 1.3267 1.3267 1.3267 7.6047 7.6047 7.6047 7.6047 12.0749 12.0749 12.0749 12.0749 k = 0.4521 0.2610 0.1499 ( 1536 PWs) bands (ev): -12.2083 -12.2083 -12.2083 -12.2083 -6.1688 -6.1688 -6.1688 -6.1688 -1.6049 -1.6049 -1.6049 -1.6049 1.3842 1.3842 1.3842 1.3842 7.5296 7.5296 7.5296 7.5296 12.0880 12.0880 12.0880 12.0880 k = 0.4589 0.2649 0.1499 ( 1544 PWs) bands (ev): -12.1755 -12.1755 -12.1755 -12.1755 -6.2213 -6.2213 -6.2213 -6.2213 -1.6174 -1.6174 -1.6174 -1.6174 1.4355 1.4355 1.4355 1.4355 7.4629 7.4629 7.4629 7.4629 12.0989 12.0989 12.0989 12.0989 k = 0.4658 0.2689 0.1499 ( 1544 PWs) bands (ev): -12.1472 -12.1472 -12.1472 -12.1472 -6.2662 -6.2662 -6.2662 -6.2662 -1.6279 -1.6279 -1.6279 -1.6279 1.4799 1.4799 1.4799 1.4799 7.4053 7.4053 7.4053 7.4053 12.1079 12.1079 12.1079 12.1079 k = 0.4726 0.2729 0.1499 ( 1540 PWs) bands (ev): -12.1237 -12.1237 -12.1237 -12.1237 -6.3034 -6.3034 -6.3034 -6.3034 -1.6365 -1.6365 -1.6365 -1.6365 1.5171 1.5171 1.5171 1.5171 7.3573 7.3573 7.3573 7.3573 12.1150 12.1150 12.1150 12.1150 k = 0.4795 0.2768 0.1499 ( 1540 PWs) bands (ev): -12.1051 -12.1051 -12.1051 -12.1051 -6.3325 -6.3325 -6.3325 -6.3325 -1.6432 -1.6432 -1.6432 -1.6432 1.5465 1.5465 1.5465 1.5465 7.3195 7.3195 7.3195 7.3195 12.1204 12.1204 12.1204 12.1204 k = 0.4863 0.2808 0.1499 ( 1540 PWs) bands (ev): -12.0918 -12.0918 -12.0918 -12.0918 -6.3535 -6.3535 -6.3535 -6.3535 -1.6480 -1.6480 -1.6480 -1.6480 1.5678 1.5678 1.5678 1.5678 7.2921 7.2921 7.2921 7.2921 12.1241 12.1241 12.1241 12.1241 k = 0.4932 0.2847 0.1499 ( 1540 PWs) bands (ev): -12.0837 -12.0837 -12.0837 -12.0837 -6.3661 -6.3661 -6.3661 -6.3661 -1.6509 -1.6509 -1.6509 -1.6509 1.5806 1.5806 1.5806 1.5806 7.2756 7.2756 7.2756 7.2756 12.1264 12.1264 12.1264 12.1264 k = 0.5000 0.2887 0.1499 ( 1536 PWs) bands (ev): -12.0810 -12.0810 -12.0810 -12.0810 -6.3703 -6.3703 -6.3703 -6.3703 -1.6519 -1.6519 -1.6519 -1.6519 1.5850 1.5850 1.5850 1.5850 7.2701 7.2701 7.2701 7.2701 12.1271 12.1271 12.1271 12.1271 k = 0.5000 0.2887 0.1499 ( 1536 PWs) bands (ev): -12.0810 -12.0810 -12.0810 -12.0810 -6.3703 -6.3703 -6.3703 -6.3703 -1.6519 -1.6519 -1.6519 -1.6519 1.5850 1.5850 1.5850 1.5850 7.2701 7.2701 7.2701 7.2701 12.1271 12.1271 12.1271 12.1271 k = 0.4960 0.2955 0.1499 ( 1538 PWs) bands (ev): -12.0804 -12.0804 -12.0804 -12.0804 -6.3696 -6.3696 -6.3696 -6.3696 -1.6556 -1.6556 -1.6556 -1.6556 1.5858 1.5858 1.5858 1.5858 7.2703 7.2703 7.2703 7.2703 12.1323 12.1323 12.1323 12.1323 k = 0.4921 0.3024 0.1499 ( 1538 PWs) bands (ev): -12.0786 -12.0786 -12.0786 -12.0786 -6.3674 -6.3674 -6.3674 -6.3674 -1.6669 -1.6669 -1.6667 -1.6667 1.5885 1.5885 1.5885 1.5885 7.2710 7.2710 7.2710 7.2710 12.1476 12.1476 12.1478 12.1478 k = 0.4881 0.3093 0.1499 ( 1536 PWs) bands (ev): -12.0757 -12.0757 -12.0756 -12.0756 -6.3637 -6.3637 -6.3637 -6.3637 -1.6854 -1.6854 -1.6852 -1.6852 1.5929 1.5929 1.5929 1.5929 7.2721 7.2721 7.2721 7.2721 12.1732 12.1732 12.1735 12.1735 k = 0.4841 0.3162 0.1499 ( 1542 PWs) bands (ev): -12.0715 -12.0715 -12.0714 -12.0714 -6.3586 -6.3586 -6.3586 -6.3586 -1.7113 -1.7113 -1.7111 -1.7111 1.5991 1.5991 1.5991 1.5991 7.2736 7.2736 7.2736 7.2736 12.2088 12.2088 12.2091 12.2091 k = 0.4802 0.3230 0.1499 ( 1548 PWs) bands (ev): -12.0662 -12.0662 -12.0661 -12.0661 -6.3521 -6.3521 -6.3520 -6.3520 -1.7444 -1.7444 -1.7441 -1.7441 1.6069 1.6069 1.6069 1.6069 7.2755 7.2755 7.2755 7.2755 12.2542 12.2542 12.2545 12.2545 k = 0.4762 0.3299 0.1499 ( 1548 PWs) bands (ev): -12.0597 -12.0597 -12.0596 -12.0596 -6.3441 -6.3441 -6.3440 -6.3440 -1.7842 -1.7842 -1.7839 -1.7839 1.6166 1.6166 1.6166 1.6166 7.2778 7.2778 7.2779 7.2779 12.3090 12.3090 12.3095 12.3095 k = 0.4722 0.3368 0.1499 ( 1548 PWs) bands (ev): -12.0520 -12.0520 -12.0519 -12.0519 -6.3346 -6.3346 -6.3345 -6.3345 -1.8308 -1.8308 -1.8303 -1.8303 1.6279 1.6279 1.6279 1.6279 7.2805 7.2805 7.2805 7.2805 12.3730 12.3730 12.3736 12.3736 k = 0.4683 0.3437 0.1499 ( 1548 PWs) bands (ev): -12.0433 -12.0433 -12.0431 -12.0431 -6.3237 -6.3237 -6.3235 -6.3235 -1.8837 -1.8837 -1.8832 -1.8832 1.6409 1.6409 1.6409 1.6409 7.2834 7.2834 7.2834 7.2834 12.4458 12.4458 12.4464 12.4464 k = 0.4643 0.3505 0.1499 ( 1544 PWs) bands (ev): -12.0334 -12.0334 -12.0332 -12.0332 -6.3113 -6.3113 -6.3111 -6.3111 -1.9427 -1.9427 -1.9421 -1.9421 1.6556 1.6556 1.6556 1.6556 7.2865 7.2865 7.2866 7.2866 12.5268 12.5268 12.5275 12.5275 k = 0.4603 0.3574 0.1499 ( 1540 PWs) bands (ev): -12.0224 -12.0224 -12.0223 -12.0223 -6.2974 -6.2974 -6.2972 -6.2972 -2.0075 -2.0075 -2.0068 -2.0068 1.6719 1.6719 1.6719 1.6719 7.2899 7.2899 7.2899 7.2899 12.6155 12.6155 12.6164 12.6164 k = 0.4563 0.3643 0.1499 ( 1536 PWs) bands (ev): -12.0105 -12.0105 -12.0103 -12.0103 -6.2822 -6.2822 -6.2819 -6.2819 -2.0776 -2.0776 -2.0769 -2.0769 1.6898 1.6898 1.6898 1.6898 7.2933 7.2933 7.2933 7.2933 12.7114 12.7114 12.7123 12.7123 k = 0.4524 0.3712 0.1499 ( 1538 PWs) bands (ev): -11.9974 -11.9974 -11.9972 -11.9972 -6.2655 -6.2655 -6.2652 -6.2652 -2.1529 -2.1529 -2.1521 -2.1521 1.7093 1.7093 1.7093 1.7093 7.2968 7.2968 7.2968 7.2968 12.8136 12.8136 12.8147 12.8147 k = 0.4484 0.3780 0.1499 ( 1534 PWs) bands (ev): -11.9835 -11.9835 -11.9832 -11.9832 -6.2473 -6.2473 -6.2471 -6.2471 -2.2328 -2.2328 -2.2319 -2.2319 1.7302 1.7302 1.7302 1.7302 7.3002 7.3002 7.3002 7.3002 12.9216 12.9216 12.9228 12.9228 k = 0.4444 0.3849 0.1499 ( 1530 PWs) bands (ev): -11.9686 -11.9686 -11.9683 -11.9683 -6.2278 -6.2278 -6.2275 -6.2275 -2.3169 -2.3169 -2.3160 -2.3160 1.7526 1.7526 1.7526 1.7526 7.3035 7.3035 7.3035 7.3035 13.0344 13.0344 13.0358 13.0358 k = 0.4405 0.3918 0.1499 ( 1538 PWs) bands (ev): -11.9528 -11.9528 -11.9525 -11.9525 -6.2068 -6.2068 -6.2065 -6.2065 -2.4051 -2.4051 -2.4041 -2.4041 1.7764 1.7764 1.7764 1.7764 7.3066 7.3066 7.3066 7.3066 13.1511 13.1511 13.1526 13.1526 k = 0.4365 0.3986 0.1499 ( 1538 PWs) bands (ev): -11.9361 -11.9361 -11.9358 -11.9358 -6.1845 -6.1845 -6.1841 -6.1841 -2.4967 -2.4967 -2.4957 -2.4957 1.8016 1.8016 1.8016 1.8016 7.3094 7.3094 7.3094 7.3094 13.2707 13.2707 13.2723 13.2723 k = 0.4325 0.4055 0.1499 ( 1548 PWs) bands (ev): -11.9187 -11.9187 -11.9184 -11.9184 -6.1608 -6.1608 -6.1603 -6.1603 -2.5915 -2.5915 -2.5904 -2.5904 1.8279 1.8279 1.8279 1.8279 7.3118 7.3118 7.3118 7.3118 13.3919 13.3919 13.3937 13.3937 k = 0.4286 0.4124 0.1499 ( 1540 PWs) bands (ev): -11.9006 -11.9006 -11.9002 -11.9002 -6.1356 -6.1356 -6.1352 -6.1352 -2.6889 -2.6889 -2.6877 -2.6877 1.8555 1.8555 1.8555 1.8555 7.3137 7.3137 7.3137 7.3137 13.5134 13.5134 13.5154 13.5154 k = 0.4246 0.4193 0.1499 ( 1544 PWs) bands (ev): -11.8818 -11.8818 -11.8814 -11.8814 -6.1092 -6.1092 -6.1087 -6.1087 -2.7887 -2.7887 -2.7874 -2.7874 1.8842 1.8842 1.8842 1.8842 7.3150 7.3150 7.3151 7.3151 13.6335 13.6335 13.6357 13.6357 k = 0.4206 0.4261 0.1499 ( 1536 PWs) bands (ev): -11.8624 -11.8624 -11.8620 -11.8620 -6.0814 -6.0814 -6.0808 -6.0808 -2.8903 -2.8903 -2.8890 -2.8890 1.9139 1.9139 1.9139 1.9139 7.3157 7.3157 7.3157 7.3157 13.7506 13.7506 13.7530 13.7530 k = 0.4167 0.4330 0.1499 ( 1538 PWs) bands (ev): -11.8425 -11.8425 -11.8421 -11.8421 -6.0522 -6.0522 -6.0516 -6.0516 -2.9936 -2.9936 -2.9921 -2.9921 1.9445 1.9445 1.9445 1.9445 7.3157 7.3157 7.3157 7.3157 13.8626 13.8626 13.8652 13.8652 k = 0.4127 0.4399 0.1499 ( 1546 PWs) bands (ev): -11.8221 -11.8221 -11.8218 -11.8218 -6.0219 -6.0219 -6.0212 -6.0212 -3.0980 -3.0980 -3.0965 -3.0965 1.9759 1.9759 1.9759 1.9759 7.3148 7.3148 7.3148 7.3148 13.9674 13.9674 13.9702 13.9702 k = 0.4087 0.4468 0.1499 ( 1550 PWs) bands (ev): -11.8015 -11.8015 -11.8011 -11.8011 -5.9902 -5.9902 -5.9895 -5.9895 -3.2031 -3.2031 -3.2015 -3.2015 2.0078 2.0078 2.0079 2.0079 7.3129 7.3129 7.3129 7.3129 14.0630 14.0630 14.0659 14.0659 k = 0.4048 0.4536 0.1499 ( 1554 PWs) bands (ev): -11.7805 -11.7805 -11.7801 -11.7801 -5.9573 -5.9573 -5.9565 -5.9565 -3.3087 -3.3087 -3.3069 -3.3069 2.0404 2.0404 2.0404 2.0404 7.3101 7.3101 7.3101 7.3101 14.1475 14.1475 14.1505 14.1505 k = 0.4008 0.4605 0.1499 ( 1554 PWs) bands (ev): -11.7595 -11.7595 -11.7590 -11.7590 -5.9233 -5.9233 -5.9224 -5.9224 -3.4141 -3.4141 -3.4123 -3.4123 2.0733 2.0733 2.0733 2.0733 7.3062 7.3062 7.3063 7.3063 14.2194 14.2194 14.2225 14.2225 k = 0.3968 0.4674 0.1499 ( 1554 PWs) bands (ev): -11.7384 -11.7384 -11.7379 -11.7379 -5.8881 -5.8881 -5.8871 -5.8871 -3.5192 -3.5192 -3.5173 -3.5173 2.1065 2.1065 2.1065 2.1065 7.3013 7.3013 7.3013 7.3013 14.2780 14.2780 14.2811 14.2811 k = 0.3929 0.4743 0.1499 ( 1554 PWs) bands (ev): -11.7173 -11.7173 -11.7169 -11.7169 -5.8519 -5.8519 -5.8508 -5.8508 -3.6235 -3.6235 -3.6214 -3.6214 2.1398 2.1398 2.1398 2.1398 7.2954 7.2954 7.2954 7.2954 14.3234 14.3234 14.3265 14.3265 k = 0.3889 0.4811 0.1499 ( 1554 PWs) bands (ev): -11.6965 -11.6965 -11.6960 -11.6960 -5.8147 -5.8147 -5.8135 -5.8135 -3.7266 -3.7266 -3.7244 -3.7244 2.1729 2.1729 2.1729 2.1729 7.2883 7.2883 7.2883 7.2883 14.3564 14.3564 14.3594 14.3594 k = 0.3849 0.4880 0.1499 ( 1558 PWs) bands (ev): -11.6760 -11.6760 -11.6755 -11.6755 -5.7767 -5.7767 -5.7753 -5.7753 -3.8281 -3.8281 -3.8257 -3.8257 2.2057 2.2057 2.2057 2.2057 7.2803 7.2803 7.2803 7.2803 14.3786 14.3786 14.3814 14.3814 k = 0.3810 0.4949 0.1499 ( 1558 PWs) bands (ev): -11.6560 -11.6560 -11.6555 -11.6555 -5.7379 -5.7379 -5.7364 -5.7364 -3.9275 -3.9275 -3.9249 -3.9249 2.2379 2.2379 2.2379 2.2379 7.2712 7.2712 7.2712 7.2712 14.3916 14.3916 14.3943 14.3943 k = 0.3770 0.5017 0.1499 ( 1558 PWs) bands (ev): -11.6366 -11.6366 -11.6361 -11.6361 -5.6986 -5.6986 -5.6969 -5.6969 -4.0243 -4.0243 -4.0215 -4.0215 2.2693 2.2693 2.2693 2.2693 7.2613 7.2613 7.2613 7.2613 14.3973 14.3973 14.3999 14.3999 k = 0.3730 0.5086 0.1499 ( 1558 PWs) bands (ev): -11.6179 -11.6179 -11.6174 -11.6174 -5.6590 -5.6590 -5.6570 -5.6570 -4.1180 -4.1180 -4.1150 -4.1150 2.2996 2.2996 2.2996 2.2996 7.2507 7.2507 7.2507 7.2507 14.3976 14.3976 14.4000 14.4000 k = 0.3690 0.5155 0.1499 ( 1560 PWs) bands (ev): -11.6002 -11.6002 -11.5997 -11.5997 -5.6192 -5.6192 -5.6170 -5.6170 -4.2081 -4.2081 -4.2048 -4.2048 2.3285 2.3285 2.3285 2.3285 7.2396 7.2396 7.2396 7.2396 14.3939 14.3939 14.3962 14.3962 k = 0.3651 0.5224 0.1499 ( 1560 PWs) bands (ev): -11.5836 -11.5836 -11.5831 -11.5831 -5.5799 -5.5799 -5.5774 -5.5774 -4.2938 -4.2938 -4.2902 -4.2902 2.3559 2.3559 2.3559 2.3559 7.2282 7.2282 7.2282 7.2282 14.3878 14.3878 14.3900 14.3900 k = 0.3611 0.5292 0.1499 ( 1560 PWs) bands (ev): -11.5683 -11.5683 -11.5677 -11.5677 -5.5414 -5.5414 -5.5386 -5.5386 -4.3743 -4.3743 -4.3704 -4.3704 2.3812 2.3812 2.3812 2.3812 7.2167 7.2167 7.2167 7.2167 14.3804 14.3804 14.3825 14.3825 k = 0.3571 0.5361 0.1499 ( 1560 PWs) bands (ev): -11.5544 -11.5544 -11.5538 -11.5538 -5.5044 -5.5044 -5.5012 -5.5012 -4.4486 -4.4486 -4.4444 -4.4444 2.4044 2.4044 2.4044 2.4044 7.2055 7.2055 7.2055 7.2055 14.3726 14.3726 14.3747 14.3747 k = 0.3532 0.5430 0.1499 ( 1552 PWs) bands (ev): -11.5421 -11.5421 -11.5416 -11.5416 -5.4698 -5.4698 -5.4662 -5.4662 -4.5156 -4.5156 -4.5110 -4.5110 2.4249 2.4249 2.4249 2.4249 7.1949 7.1949 7.1949 7.1949 14.3653 14.3653 14.3672 14.3672 k = 0.3492 0.5499 0.1499 ( 1552 PWs) bands (ev): -11.5317 -11.5317 -11.5312 -11.5312 -5.4388 -5.4388 -5.4348 -5.4348 -4.5739 -4.5739 -4.5688 -4.5688 2.4425 2.4425 2.4425 2.4425 7.1852 7.1852 7.1853 7.1853 14.3588 14.3588 14.3607 14.3607 k = 0.3452 0.5567 0.1499 ( 1556 PWs) bands (ev): -11.5233 -11.5233 -11.5227 -11.5227 -5.4127 -5.4127 -5.4083 -5.4083 -4.6218 -4.6218 -4.6162 -4.6162 2.4567 2.4567 2.4567 2.4567 7.1770 7.1770 7.1770 7.1770 14.3537 14.3537 14.3555 14.3555 k = 0.3413 0.5636 0.1499 ( 1560 PWs) bands (ev): -11.5170 -11.5170 -11.5165 -11.5165 -5.3931 -5.3931 -5.3882 -5.3882 -4.6574 -4.6574 -4.6514 -4.6514 2.4672 2.4672 2.4672 2.4672 7.1705 7.1705 7.1705 7.1705 14.3501 14.3501 14.3519 14.3519 k = 0.3373 0.5705 0.1499 ( 1560 PWs) bands (ev): -11.5132 -11.5132 -11.5126 -11.5126 -5.3810 -5.3810 -5.3759 -5.3759 -4.6792 -4.6792 -4.6730 -4.6730 2.4738 2.4738 2.4738 2.4738 7.1663 7.1663 7.1664 7.1664 14.3480 14.3480 14.3498 14.3498 k = 0.3333 0.5774 0.1499 ( 1560 PWs) bands (ev): -11.5118 -11.5118 -11.5113 -11.5113 -5.3770 -5.3770 -5.3719 -5.3719 -4.6865 -4.6865 -4.6802 -4.6802 2.4761 2.4761 2.4761 2.4761 7.1648 7.1648 7.1649 7.1649 14.3474 14.3474 14.3492 14.3492 k = 0.3333 0.5774 0.1499 ( 1560 PWs) bands (ev): -11.5118 -11.5118 -11.5113 -11.5113 -5.3770 -5.3770 -5.3719 -5.3719 -4.6865 -4.6865 -4.6802 -4.6802 2.4761 2.4761 2.4761 2.4761 7.1648 7.1648 7.1649 7.1649 14.3474 14.3474 14.3492 14.3492 k = 0.3294 0.5705 0.1499 ( 1560 PWs) bands (ev): -11.5132 -11.5132 -11.5127 -11.5127 -5.3806 -5.3806 -5.3755 -5.3755 -4.6795 -4.6795 -4.6733 -4.6733 2.4737 2.4737 2.4737 2.4737 7.1665 7.1665 7.1665 7.1665 14.3479 14.3479 14.3497 14.3497 k = 0.3254 0.5636 0.1499 ( 1558 PWs) bands (ev): -11.5175 -11.5175 -11.5169 -11.5169 -5.3902 -5.3902 -5.3854 -5.3854 -4.6596 -4.6596 -4.6536 -4.6536 2.4665 2.4665 2.4665 2.4665 7.1717 7.1717 7.1717 7.1717 14.3491 14.3491 14.3509 14.3509 k = 0.3214 0.5567 0.1499 ( 1558 PWs) bands (ev): -11.5247 -11.5247 -11.5242 -11.5242 -5.4038 -5.4038 -5.3992 -5.3992 -4.6289 -4.6289 -4.6232 -4.6232 2.4541 2.4541 2.4541 2.4541 7.1809 7.1809 7.1809 7.1809 14.3503 14.3503 14.3522 14.3522 k = 0.3175 0.5499 0.1499 ( 1558 PWs) bands (ev): -11.5351 -11.5351 -11.5345 -11.5345 -5.4190 -5.4190 -5.4148 -5.4148 -4.5892 -4.5892 -4.5839 -4.5839 2.4363 2.4363 2.4363 2.4363 7.1944 7.1944 7.1944 7.1944 14.3508 14.3508 14.3527 14.3527 k = 0.3135 0.5430 0.1499 ( 1560 PWs) bands (ev): -11.5487 -11.5487 -11.5481 -11.5481 -5.4342 -5.4342 -5.4303 -5.4303 -4.5425 -4.5425 -4.5375 -4.5375 2.4131 2.4131 2.4131 2.4131 7.2125 7.2125 7.2125 7.2125 14.3497 14.3497 14.3516 14.3516 k = 0.3095 0.5361 0.1499 ( 1556 PWs) bands (ev): -11.5656 -11.5656 -11.5651 -11.5651 -5.4476 -5.4476 -5.4441 -5.4441 -4.4901 -4.4901 -4.4854 -4.4854 2.3844 2.3844 2.3844 2.3844 7.2356 7.2356 7.2356 7.2356 14.3457 14.3457 14.3476 14.3476 k = 0.3056 0.5292 0.1499 ( 1560 PWs) bands (ev): -11.5859 -11.5859 -11.5854 -11.5854 -5.4583 -5.4583 -5.4550 -5.4550 -4.4331 -4.4331 -4.4288 -4.4288 2.3500 2.3500 2.3500 2.3500 7.2638 7.2638 7.2638 7.2638 14.3376 14.3376 14.3396 14.3396 k = 0.3016 0.5224 0.1499 ( 1564 PWs) bands (ev): -11.6096 -11.6096 -11.6090 -11.6090 -5.4653 -5.4653 -5.4622 -5.4622 -4.3724 -4.3724 -4.3683 -4.3683 2.3101 2.3101 2.3101 2.3101 7.2972 7.2972 7.2972 7.2972 14.3242 14.3242 14.3263 14.3263 k = 0.2976 0.5155 0.1499 ( 1568 PWs) bands (ev): -11.6367 -11.6367 -11.6361 -11.6361 -5.4679 -5.4679 -5.4651 -5.4651 -4.3085 -4.3085 -4.3046 -4.3046 2.2647 2.2647 2.2647 2.2647 7.3360 7.3360 7.3360 7.3360 14.3041 14.3041 14.3062 14.3062 k = 0.2937 0.5086 0.1499 ( 1572 PWs) bands (ev): -11.6671 -11.6671 -11.6666 -11.6666 -5.4658 -5.4658 -5.4632 -5.4632 -4.2418 -4.2418 -4.2381 -4.2381 2.2139 2.2139 2.2139 2.2139 7.3802 7.3802 7.3802 7.3802 14.2761 14.2761 14.2782 14.2782 k = 0.2897 0.5017 0.1499 ( 1564 PWs) bands (ev): -11.7010 -11.7010 -11.7005 -11.7005 -5.4587 -5.4587 -5.4562 -5.4562 -4.1727 -4.1727 -4.1692 -4.1692 2.1581 2.1581 2.1581 2.1581 7.4298 7.4298 7.4298 7.4298 14.2392 14.2392 14.2414 14.2414 k = 0.2857 0.4949 0.1499 ( 1564 PWs) bands (ev): -11.7380 -11.7380 -11.7376 -11.7376 -5.4463 -5.4463 -5.4439 -5.4439 -4.1015 -4.1015 -4.0981 -4.0981 2.0973 2.0973 2.0973 2.0973 7.4847 7.4847 7.4847 7.4847 14.1928 14.1928 14.1950 14.1950 k = 0.2817 0.4880 0.1499 ( 1556 PWs) bands (ev): -11.7783 -11.7783 -11.7778 -11.7778 -5.4285 -5.4285 -5.4263 -5.4263 -4.0282 -4.0282 -4.0250 -4.0250 2.0318 2.0318 2.0318 2.0318 7.5447 7.5447 7.5447 7.5447 14.1365 14.1365 14.1387 14.1387 k = 0.2778 0.4811 0.1499 ( 1556 PWs) bands (ev): -11.8217 -11.8217 -11.8212 -11.8212 -5.4053 -5.4053 -5.4032 -5.4032 -3.9532 -3.9532 -3.9502 -3.9502 1.9619 1.9619 1.9619 1.9619 7.6098 7.6098 7.6098 7.6098 14.0704 14.0704 14.0726 14.0726 k = 0.2738 0.4743 0.1499 ( 1552 PWs) bands (ev): -11.8679 -11.8679 -11.8675 -11.8675 -5.3767 -5.3767 -5.3747 -5.3747 -3.8766 -3.8766 -3.8736 -3.8736 1.8880 1.8880 1.8880 1.8880 7.6798 7.6798 7.6798 7.6798 13.9952 13.9952 13.9972 13.9972 k = 0.2698 0.4674 0.1499 ( 1552 PWs) bands (ev): -11.9170 -11.9170 -11.9166 -11.9166 -5.3427 -5.3427 -5.3407 -5.3407 -3.7984 -3.7984 -3.7956 -3.7956 1.8102 1.8102 1.8102 1.8102 7.7543 7.7543 7.7543 7.7543 13.9114 13.9114 13.9134 13.9134 k = 0.2659 0.4605 0.1499 ( 1548 PWs) bands (ev): -11.9687 -11.9687 -11.9683 -11.9683 -5.3034 -5.3034 -5.3015 -5.3015 -3.7188 -3.7188 -3.7160 -3.7160 1.7289 1.7289 1.7289 1.7289 7.8333 7.8333 7.8333 7.8333 13.8202 13.8202 13.8222 13.8222 k = 0.2619 0.4536 0.1499 ( 1548 PWs) bands (ev): -12.0229 -12.0229 -12.0225 -12.0225 -5.2589 -5.2589 -5.2571 -5.2571 -3.6377 -3.6377 -3.6351 -3.6351 1.6445 1.6445 1.6445 1.6445 7.9164 7.9164 7.9164 7.9164 13.7226 13.7226 13.7245 13.7245 k = 0.2579 0.4468 0.1499 ( 1540 PWs) bands (ev): -12.0794 -12.0794 -12.0790 -12.0790 -5.2094 -5.2094 -5.2076 -5.2076 -3.5553 -3.5553 -3.5527 -3.5527 1.5573 1.5573 1.5573 1.5573 8.0034 8.0034 8.0034 8.0034 13.6197 13.6197 13.6215 13.6215 k = 0.2540 0.4399 0.1499 ( 1546 PWs) bands (ev): -12.1379 -12.1379 -12.1376 -12.1376 -5.1550 -5.1550 -5.1533 -5.1533 -3.4718 -3.4718 -3.4693 -3.4693 1.4675 1.4675 1.4675 1.4675 8.0939 8.0939 8.0939 8.0939 13.5125 13.5125 13.5142 13.5142 k = 0.2500 0.4330 0.1499 ( 1546 PWs) bands (ev): -12.1984 -12.1984 -12.1981 -12.1981 -5.0958 -5.0958 -5.0941 -5.0941 -3.3871 -3.3871 -3.3846 -3.3846 1.3755 1.3755 1.3755 1.3755 8.1877 8.1877 8.1877 8.1877 13.4021 13.4021 13.4037 13.4037 k = 0.2460 0.4261 0.1499 ( 1546 PWs) bands (ev): -12.2606 -12.2606 -12.2603 -12.2603 -5.0319 -5.0319 -5.0303 -5.0303 -3.3013 -3.3013 -3.2989 -3.2989 1.2816 1.2816 1.2816 1.2816 8.2845 8.2845 8.2845 8.2845 13.2893 13.2893 13.2908 13.2908 k = 0.2421 0.4193 0.1499 ( 1544 PWs) bands (ev): -12.3244 -12.3244 -12.3241 -12.3241 -4.9637 -4.9637 -4.9621 -4.9621 -3.2144 -3.2144 -3.2120 -3.2120 1.1860 1.1860 1.1860 1.1860 8.3840 8.3840 8.3840 8.3840 13.1750 13.1750 13.1765 13.1765 k = 0.2381 0.4124 0.1499 ( 1544 PWs) bands (ev): -12.3896 -12.3896 -12.3893 -12.3893 -4.8911 -4.8911 -4.8896 -4.8896 -3.1265 -3.1265 -3.1242 -3.1242 1.0890 1.0890 1.0890 1.0890 8.4857 8.4857 8.4857 8.4857 13.0600 13.0600 13.0613 13.0613 k = 0.2341 0.4055 0.1499 ( 1544 PWs) bands (ev): -12.4559 -12.4559 -12.4556 -12.4556 -4.8145 -4.8145 -4.8130 -4.8130 -3.0377 -3.0377 -3.0354 -3.0354 0.9909 0.9909 0.9909 0.9909 8.5893 8.5893 8.5893 8.5893 12.9449 12.9449 12.9462 12.9462 k = 0.2302 0.3986 0.1499 ( 1544 PWs) bands (ev): -12.5233 -12.5233 -12.5230 -12.5230 -4.7339 -4.7339 -4.7324 -4.7324 -2.9479 -2.9479 -2.9458 -2.9458 0.8919 0.8919 0.8919 0.8919 8.6945 8.6945 8.6945 8.6945 12.8304 12.8304 12.8317 12.8317 k = 0.2262 0.3918 0.1499 ( 1548 PWs) bands (ev): -12.5915 -12.5915 -12.5912 -12.5912 -4.6495 -4.6495 -4.6481 -4.6481 -2.8574 -2.8574 -2.8553 -2.8553 0.7922 0.7922 0.7922 0.7922 8.8007 8.8007 8.8007 8.8007 12.7172 12.7172 12.7184 12.7184 k = 0.2222 0.3849 0.1499 ( 1548 PWs) bands (ev): -12.6604 -12.6604 -12.6601 -12.6601 -4.5615 -4.5615 -4.5601 -4.5601 -2.7661 -2.7661 -2.7640 -2.7640 0.6920 0.6920 0.6920 0.6920 8.9075 8.9075 8.9075 8.9075 12.6060 12.6060 12.6071 12.6071 k = 0.2183 0.3780 0.1499 ( 1548 PWs) bands (ev): -12.7298 -12.7298 -12.7296 -12.7296 -4.4701 -4.4701 -4.4687 -4.4687 -2.6740 -2.6740 -2.6720 -2.6720 0.5916 0.5916 0.5916 0.5916 9.0142 9.0142 9.0143 9.0143 12.4973 12.4973 12.4984 12.4984 k = 0.2143 0.3712 0.1499 ( 1552 PWs) bands (ev): -12.7997 -12.7997 -12.7995 -12.7995 -4.3754 -4.3754 -4.3740 -4.3740 -2.5813 -2.5813 -2.5793 -2.5793 0.4910 0.4910 0.4910 0.4910 9.1204 9.1204 9.1204 9.1204 12.3920 12.3920 12.3930 12.3930 k = 0.2103 0.3643 0.1499 ( 1552 PWs) bands (ev): -12.8698 -12.8698 -12.8696 -12.8696 -4.2776 -4.2776 -4.2762 -4.2762 -2.4880 -2.4880 -2.4861 -2.4861 0.3906 0.3906 0.3906 0.3906 9.2251 9.2251 9.2251 9.2251 12.2908 12.2908 12.2917 12.2917 k = 0.2063 0.3574 0.1499 ( 1556 PWs) bands (ev): -12.9400 -12.9400 -12.9399 -12.9399 -4.1768 -4.1768 -4.1755 -4.1755 -2.3941 -2.3941 -2.3922 -2.3922 0.2903 0.2903 0.2903 0.2903 9.3274 9.3274 9.3274 9.3274 12.1945 12.1945 12.1955 12.1955 k = 0.2024 0.3505 0.1499 ( 1548 PWs) bands (ev): -13.0103 -13.0103 -13.0101 -13.0101 -4.0731 -4.0731 -4.0718 -4.0718 -2.2998 -2.2998 -2.2979 -2.2979 0.1905 0.1905 0.1905 0.1905 9.4264 9.4264 9.4265 9.4265 12.1044 12.1044 12.1053 12.1053 k = 0.1984 0.3437 0.1499 ( 1548 PWs) bands (ev): -13.0804 -13.0804 -13.0802 -13.0802 -3.9668 -3.9668 -3.9655 -3.9655 -2.2050 -2.2050 -2.2032 -2.2032 0.0912 0.0912 0.0912 0.0912 9.5208 9.5208 9.5208 9.5208 12.0216 12.0216 12.0224 12.0224 k = 0.1944 0.3368 0.1499 ( 1548 PWs) bands (ev): -13.1503 -13.1503 -13.1501 -13.1501 -3.8579 -3.8579 -3.8567 -3.8567 -2.1099 -2.1099 -2.1081 -2.1081 -0.0075 -0.0075 -0.0075 -0.0075 9.6089 9.6089 9.6090 9.6090 11.9474 11.9474 11.9482 11.9482 k = 0.1905 0.3299 0.1499 ( 1548 PWs) bands (ev): -13.2199 -13.2199 -13.2197 -13.2197 -3.7467 -3.7467 -3.7454 -3.7454 -2.0145 -2.0145 -2.0127 -2.0127 -0.1053 -0.1053 -0.1053 -0.1053 9.6892 9.6892 9.6893 9.6893 11.8837 11.8837 11.8844 11.8844 k = 0.1865 0.3230 0.1499 ( 1548 PWs) bands (ev): -13.2890 -13.2890 -13.2889 -13.2889 -3.6332 -3.6332 -3.6320 -3.6320 -1.9189 -1.9189 -1.9172 -1.9172 -0.2023 -0.2023 -0.2023 -0.2023 9.7597 9.7597 9.7598 9.7598 11.8322 11.8322 11.8329 11.8329 k = 0.1825 0.3162 0.1499 ( 1544 PWs) bands (ev): -13.3576 -13.3576 -13.3575 -13.3575 -3.5176 -3.5176 -3.5164 -3.5164 -1.8231 -1.8231 -1.8214 -1.8214 -0.2983 -0.2983 -0.2983 -0.2983 9.8183 9.8183 9.8184 9.8184 11.7948 11.7948 11.7954 11.7954 k = 0.1786 0.3093 0.1499 ( 1540 PWs) bands (ev): -13.4256 -13.4256 -13.4255 -13.4255 -3.3999 -3.3999 -3.3987 -3.3987 -1.7272 -1.7272 -1.7256 -1.7256 -0.3932 -0.3932 -0.3932 -0.3932 9.8634 9.8634 9.8635 9.8635 11.7732 11.7732 11.7737 11.7737 k = 0.1746 0.3024 0.1499 ( 1536 PWs) bands (ev): -13.4930 -13.4930 -13.4929 -13.4929 -3.2805 -3.2805 -3.2793 -3.2793 -1.6314 -1.6314 -1.6298 -1.6298 -0.4868 -0.4868 -0.4868 -0.4868 9.8935 9.8935 9.8937 9.8937 11.7685 11.7685 11.7691 11.7691 k = 0.1706 0.2955 0.1499 ( 1526 PWs) bands (ev): -13.5595 -13.5595 -13.5594 -13.5594 -3.1592 -3.1592 -3.1581 -3.1581 -1.5356 -1.5356 -1.5341 -1.5341 -0.5792 -0.5792 -0.5792 -0.5792 9.9080 9.9080 9.9082 9.9082 11.7814 11.7814 11.7819 11.7819 k = 0.1667 0.2887 0.1499 ( 1530 PWs) bands (ev): -13.6252 -13.6252 -13.6251 -13.6251 -3.0365 -3.0365 -3.0353 -3.0353 -1.4401 -1.4401 -1.4386 -1.4386 -0.6702 -0.6702 -0.6702 -0.6702 9.9072 9.9072 9.9074 9.9074 11.8113 11.8113 11.8117 11.8117 k = 0.1627 0.2818 0.1499 ( 1528 PWs) bands (ev): -13.6901 -13.6901 -13.6900 -13.6900 -2.9123 -2.9123 -2.9112 -2.9112 -1.3447 -1.3447 -1.3433 -1.3433 -0.7598 -0.7598 -0.7597 -0.7597 9.8923 9.8923 9.8925 9.8925 11.8568 11.8568 11.8572 11.8572 k = 0.1587 0.2749 0.1499 ( 1528 PWs) bands (ev): -13.7539 -13.7539 -13.7538 -13.7538 -2.7868 -2.7868 -2.7857 -2.7857 -1.2499 -1.2499 -1.2485 -1.2485 -0.8478 -0.8478 -0.8477 -0.8477 9.8649 9.8649 9.8651 9.8651 11.9162 11.9162 11.9165 11.9165 k = 0.1548 0.2681 0.1499 ( 1528 PWs) bands (ev): -13.8168 -13.8168 -13.8167 -13.8167 -2.6601 -2.6601 -2.6590 -2.6590 -1.1556 -1.1556 -1.1542 -1.1542 -0.9340 -0.9340 -0.9340 -0.9340 9.8270 9.8270 9.8273 9.8273 11.9871 11.9871 11.9874 11.9874 k = 0.1508 0.2612 0.1499 ( 1524 PWs) bands (ev): -13.8785 -13.8785 -13.8784 -13.8784 -2.5323 -2.5323 -2.5313 -2.5313 -1.0638 -1.0638 -1.0628 -1.0628 -1.0166 -1.0166 -1.0163 -1.0163 9.7809 9.7809 9.7811 9.7811 12.0673 12.0673 12.0675 12.0675 k = 0.1468 0.2543 0.1499 ( 1524 PWs) bands (ev): -13.9391 -13.9391 -13.9391 -13.9391 -2.4038 -2.4038 -2.4027 -2.4027 -1.1036 -1.1036 -1.1035 -1.1035 -0.9667 -0.9667 -0.9653 -0.9653 9.7282 9.7282 9.7284 9.7284 12.1547 12.1547 12.1550 12.1550 k = 0.1429 0.2474 0.1499 ( 1520 PWs) bands (ev): -13.9986 -13.9986 -13.9985 -13.9985 -2.2744 -2.2744 -2.2734 -2.2734 -1.1843 -1.1843 -1.1843 -1.1843 -0.8745 -0.8745 -0.8732 -0.8732 9.6705 9.6705 9.6708 9.6708 12.2476 12.2476 12.2478 12.2478 k = 0.1389 0.2406 0.1499 ( 1520 PWs) bands (ev): -14.0568 -14.0568 -14.0567 -14.0567 -2.1446 -2.1446 -2.1436 -2.1436 -1.2636 -1.2636 -1.2636 -1.2636 -0.7828 -0.7828 -0.7815 -0.7815 9.6093 9.6093 9.6096 9.6096 12.3442 12.3442 12.3445 12.3445 k = 0.1349 0.2337 0.1499 ( 1520 PWs) bands (ev): -14.1137 -14.1137 -14.1137 -14.1137 -2.0146 -2.0146 -2.0136 -2.0136 -1.3409 -1.3409 -1.3408 -1.3408 -0.6919 -0.6919 -0.6907 -0.6907 9.5456 9.5456 9.5458 9.5458 12.4433 12.4433 12.4435 12.4435 k = 0.1310 0.2268 0.1499 ( 1520 PWs) bands (ev): -14.1693 -14.1693 -14.1693 -14.1693 -1.8847 -1.8847 -1.8838 -1.8838 -1.4158 -1.4158 -1.4158 -1.4158 -0.6020 -0.6020 -0.6008 -0.6008 9.4802 9.4802 9.4805 9.4805 12.5437 12.5437 12.5439 12.5439 k = 0.1270 0.2199 0.1499 ( 1520 PWs) bands (ev): -14.2236 -14.2236 -14.2236 -14.2236 -1.7564 -1.7564 -1.7555 -1.7555 -1.4871 -1.4871 -1.4871 -1.4871 -0.5132 -0.5132 -0.5121 -0.5121 9.4140 9.4140 9.4142 9.4142 12.6445 12.6445 12.6446 12.6446 k = 0.1230 0.2131 0.1499 ( 1524 PWs) bands (ev): -14.2766 -14.2766 -14.2765 -14.2765 -1.6412 -1.6412 -1.6406 -1.6406 -1.5434 -1.5434 -1.5431 -1.5431 -0.4257 -0.4257 -0.4246 -0.4246 9.3473 9.3473 9.3476 9.3476 12.7446 12.7446 12.7447 12.7447 k = 0.1190 0.2062 0.1499 ( 1524 PWs) bands (ev): -14.3281 -14.3281 -14.3280 -14.3280 -1.6465 -1.6465 -1.6465 -1.6465 -1.4773 -1.4773 -1.4765 -1.4765 -0.3394 -0.3394 -0.3384 -0.3384 9.2808 9.2808 9.2810 9.2810 12.8433 12.8433 12.8434 12.8434 k = 0.1151 0.1993 0.1499 ( 1528 PWs) bands (ev): -14.3781 -14.3781 -14.3781 -14.3781 -1.7089 -1.7089 -1.7089 -1.7089 -1.3526 -1.3526 -1.3518 -1.3518 -0.2546 -0.2546 -0.2536 -0.2536 9.2147 9.2147 9.2149 9.2149 12.9399 12.9399 12.9400 12.9400 k = 0.1111 0.1925 0.1499 ( 1532 PWs) bands (ev): -14.4267 -14.4267 -14.4267 -14.4267 -1.7733 -1.7733 -1.7733 -1.7733 -1.2244 -1.2244 -1.2235 -1.2235 -0.1714 -0.1714 -0.1704 -0.1704 9.1495 9.1495 9.1497 9.1497 13.0338 13.0338 13.0339 13.0339 k = 0.1071 0.1856 0.1499 ( 1536 PWs) bands (ev): -14.4738 -14.4738 -14.4738 -14.4738 -1.8365 -1.8365 -1.8365 -1.8365 -1.0960 -1.0960 -1.0952 -1.0952 -0.0898 -0.0898 -0.0889 -0.0889 9.0852 9.0852 9.0854 9.0854 13.1244 13.1244 13.1244 13.1244 k = 0.1032 0.1787 0.1499 ( 1528 PWs) bands (ev): -14.5193 -14.5193 -14.5193 -14.5193 -1.8979 -1.8979 -1.8979 -1.8979 -0.9681 -0.9681 -0.9673 -0.9673 -0.0099 -0.0099 -0.0090 -0.0090 9.0222 9.0222 9.0224 9.0224 13.2110 13.2110 13.2111 13.2111 k = 0.0992 0.1718 0.1499 ( 1528 PWs) bands (ev): -14.5633 -14.5633 -14.5633 -14.5633 -1.9573 -1.9573 -1.9573 -1.9573 -0.8413 -0.8413 -0.8406 -0.8406 0.0680 0.0680 0.0689 0.0689 8.9606 8.9606 8.9607 8.9607 13.2931 13.2931 13.2932 13.2932 k = 0.0952 0.1650 0.1499 ( 1524 PWs) bands (ev): -14.6058 -14.6058 -14.6057 -14.6057 -2.0147 -2.0147 -2.0147 -2.0147 -0.7158 -0.7158 -0.7151 -0.7151 0.1440 0.1440 0.1448 0.1448 8.9005 8.9005 8.9006 8.9006 13.3701 13.3701 13.3702 13.3702 k = 0.0913 0.1581 0.1499 ( 1524 PWs) bands (ev): -14.6466 -14.6466 -14.6466 -14.6466 -2.0699 -2.0699 -2.0699 -2.0699 -0.5919 -0.5919 -0.5912 -0.5912 0.2178 0.2178 0.2186 0.2186 8.8420 8.8420 8.8421 8.8421 13.4415 13.4415 13.4416 13.4416 k = 0.0873 0.1512 0.1499 ( 1516 PWs) bands (ev): -14.6858 -14.6858 -14.6858 -14.6858 -2.1229 -2.1229 -2.1229 -2.1229 -0.4699 -0.4699 -0.4693 -0.4693 0.2895 0.2895 0.2903 0.2903 8.7854 8.7854 8.7855 8.7855 13.5067 13.5067 13.5069 13.5069 k = 0.0833 0.1443 0.1499 ( 1520 PWs) bands (ev): -14.7234 -14.7234 -14.7234 -14.7234 -2.1738 -2.1738 -2.1738 -2.1738 -0.3501 -0.3501 -0.3495 -0.3495 0.3588 0.3588 0.3595 0.3595 8.7305 8.7305 8.7306 8.7306 13.5654 13.5654 13.5656 13.5656 k = 0.0794 0.1375 0.1499 ( 1520 PWs) bands (ev): -14.7594 -14.7594 -14.7594 -14.7594 -2.2224 -2.2224 -2.2224 -2.2224 -0.2327 -0.2327 -0.2321 -0.2321 0.4257 0.4257 0.4264 0.4264 8.6777 8.6777 8.6778 8.6778 13.6171 13.6171 13.6175 13.6175 k = 0.0754 0.1306 0.1499 ( 1520 PWs) bands (ev): -14.7937 -14.7937 -14.7936 -14.7936 -2.2687 -2.2687 -2.2687 -2.2687 -0.1179 -0.1179 -0.1174 -0.1174 0.4901 0.4901 0.4907 0.4907 8.6268 8.6268 8.6269 8.6269 13.6619 13.6619 13.6624 13.6624 k = 0.0714 0.1237 0.1499 ( 1520 PWs) bands (ev): -14.8263 -14.8263 -14.8263 -14.8263 -2.3128 -2.3128 -2.3128 -2.3128 -0.0062 -0.0062 -0.0057 -0.0057 0.5518 0.5518 0.5524 0.5524 8.5780 8.5780 8.5781 8.5781 13.7001 13.7001 13.7007 13.7007 k = 0.0675 0.1168 0.1499 ( 1518 PWs) bands (ev): -14.8572 -14.8572 -14.8572 -14.8572 -2.3545 -2.3545 -2.3545 -2.3545 0.1022 0.1022 0.1027 0.1027 0.6109 0.6109 0.6114 0.6114 8.5314 8.5314 8.5315 8.5315 13.7322 13.7322 13.7329 13.7329 k = 0.0635 0.1100 0.1499 ( 1514 PWs) bands (ev): -14.8864 -14.8864 -14.8864 -14.8864 -2.3940 -2.3940 -2.3940 -2.3940 0.2069 0.2069 0.2074 0.2074 0.6671 0.6671 0.6676 0.6676 8.4870 8.4870 8.4871 8.4871 13.7593 13.7593 13.7601 13.7601 k = 0.0595 0.1031 0.1499 ( 1506 PWs) bands (ev): -14.9139 -14.9139 -14.9139 -14.9139 -2.4311 -2.4311 -2.4311 -2.4311 0.3078 0.3078 0.3082 0.3082 0.7204 0.7204 0.7209 0.7209 8.4449 8.4449 8.4450 8.4450 13.7824 13.7824 13.7832 13.7832 k = 0.0556 0.0962 0.1499 ( 1502 PWs) bands (ev): -14.9397 -14.9397 -14.9397 -14.9397 -2.4659 -2.4659 -2.4659 -2.4659 0.4043 0.4043 0.4047 0.4047 0.7707 0.7707 0.7712 0.7712 8.4051 8.4051 8.4051 8.4051 13.8026 13.8026 13.8035 13.8035 k = 0.0516 0.0894 0.1499 ( 1502 PWs) bands (ev): -14.9637 -14.9637 -14.9637 -14.9637 -2.4983 -2.4983 -2.4983 -2.4983 0.4961 0.4961 0.4965 0.4965 0.8179 0.8179 0.8183 0.8183 8.3677 8.3677 8.3677 8.3677 13.8210 13.8210 13.8219 13.8219 k = 0.0476 0.0825 0.1499 ( 1502 PWs) bands (ev): -14.9860 -14.9860 -14.9860 -14.9860 -2.5284 -2.5284 -2.5284 -2.5284 0.5829 0.5829 0.5832 0.5832 0.8620 0.8620 0.8623 0.8623 8.3327 8.3327 8.3327 8.3327 13.8382 13.8382 13.8391 13.8391 k = 0.0437 0.0756 0.1499 ( 1498 PWs) bands (ev): -15.0065 -15.0065 -15.0065 -15.0065 -2.5561 -2.5561 -2.5561 -2.5561 0.6644 0.6644 0.6647 0.6647 0.9028 0.9028 0.9031 0.9031 8.3002 8.3002 8.3002 8.3002 13.8548 13.8548 13.8558 13.8558 k = 0.0397 0.0687 0.1499 ( 1490 PWs) bands (ev): -15.0253 -15.0253 -15.0253 -15.0253 -2.5814 -2.5814 -2.5814 -2.5814 0.7402 0.7402 0.7405 0.7405 0.9404 0.9404 0.9407 0.9407 8.2703 8.2703 8.2703 8.2703 13.8713 13.8713 13.8722 13.8722 k = 0.0357 0.0619 0.1499 ( 1490 PWs) bands (ev): -15.0423 -15.0423 -15.0423 -15.0423 -2.6043 -2.6043 -2.6043 -2.6043 0.8099 0.8099 0.8102 0.8102 0.9745 0.9745 0.9748 0.9748 8.2430 8.2430 8.2430 8.2430 13.8878 13.8878 13.8887 13.8887 k = 0.0317 0.0550 0.1499 ( 1486 PWs) bands (ev): -15.0575 -15.0575 -15.0575 -15.0575 -2.6248 -2.6248 -2.6248 -2.6248 0.8734 0.8734 0.8736 0.8736 1.0053 1.0053 1.0055 1.0055 8.2184 8.2184 8.2184 8.2184 13.9044 13.9044 13.9053 13.9053 k = 0.0278 0.0481 0.1499 ( 1486 PWs) bands (ev): -15.0710 -15.0710 -15.0710 -15.0710 -2.6430 -2.6430 -2.6430 -2.6430 0.9301 0.9301 0.9303 0.9303 1.0326 1.0326 1.0328 1.0328 8.1965 8.1965 8.1965 8.1965 13.9212 13.9212 13.9220 13.9220 k = 0.0238 0.0412 0.1499 ( 1482 PWs) bands (ev): -15.0827 -15.0827 -15.0827 -15.0827 -2.6587 -2.6587 -2.6587 -2.6587 0.9799 0.9799 0.9801 0.9801 1.0564 1.0564 1.0566 1.0566 8.1774 8.1774 8.1775 8.1775 13.9382 13.9382 13.9390 13.9390 k = 0.0198 0.0344 0.1499 ( 1482 PWs) bands (ev): -15.0925 -15.0925 -15.0925 -15.0925 -2.6720 -2.6720 -2.6720 -2.6720 1.0223 1.0223 1.0225 1.0225 1.0768 1.0768 1.0769 1.0769 8.1612 8.1612 8.1612 8.1612 13.9553 13.9553 13.9561 13.9561 k = 0.0159 0.0275 0.1499 ( 1470 PWs) bands (ev): -15.1006 -15.1006 -15.1006 -15.1006 -2.6829 -2.6829 -2.6829 -2.6829 1.0573 1.0573 1.0574 1.0574 1.0938 1.0938 1.0939 1.0939 8.1478 8.1478 8.1478 8.1478 13.9725 13.9725 13.9732 13.9732 k = 0.0119 0.0206 0.1499 ( 1466 PWs) bands (ev): -15.1069 -15.1069 -15.1069 -15.1069 -2.6914 -2.6914 -2.6914 -2.6914 1.0842 1.0842 1.0843 1.0843 1.1074 1.1074 1.1075 1.1075 8.1374 8.1374 8.1374 8.1374 13.9895 13.9895 13.9901 13.9901 k = 0.0079 0.0137 0.1499 ( 1462 PWs) bands (ev): -15.1114 -15.1114 -15.1114 -15.1114 -2.6975 -2.6975 -2.6975 -2.6975 1.1026 1.1026 1.1027 1.1027 1.1182 1.1182 1.1182 1.1182 8.1299 8.1299 8.1299 8.1299 14.0061 14.0061 14.0066 14.0066 k = 0.0040 0.0069 0.1499 ( 1462 PWs) bands (ev): -15.1141 -15.1141 -15.1141 -15.1141 -2.7011 -2.7011 -2.7011 -2.7011 1.1126 1.1126 1.1126 1.1126 1.1257 1.1257 1.1258 1.1258 8.1254 8.1254 8.1254 8.1254 14.0218 14.0218 14.0220 14.0220 k = 0.0000 0.0000 0.1499 ( 1462 PWs) bands (ev): -15.1150 -15.1150 -15.1150 -15.1150 -2.7023 -2.7023 -2.7023 -2.7023 1.1156 1.1156 1.1156 1.1156 1.1286 1.1286 1.1286 1.1286 8.1239 8.1239 8.1239 8.1239 14.0317 14.0317 14.0317 14.0318 k = 0.5000 0.2887 0.1499 ( 1536 PWs) bands (ev): -12.0810 -12.0810 -12.0810 -12.0810 -6.3703 -6.3703 -6.3703 -6.3703 -1.6519 -1.6519 -1.6519 -1.6519 1.5850 1.5850 1.5850 1.5850 7.2701 7.2701 7.2701 7.2701 12.1271 12.1271 12.1271 12.1271 k = 0.5000 0.2887 0.1420 ( 1540 PWs) bands (ev): -12.0817 -12.0817 -12.0803 -12.0803 -6.3718 -6.3718 -6.3688 -6.3688 -1.6521 -1.6521 -1.6517 -1.6517 1.5746 1.5746 1.5953 1.5953 7.2381 7.2381 7.3025 7.3025 12.1118 12.1118 12.1421 12.1421 k = 0.5000 0.2887 0.1341 ( 1538 PWs) bands (ev): -12.0824 -12.0824 -12.0796 -12.0796 -6.3733 -6.3733 -6.3673 -6.3673 -1.6523 -1.6523 -1.6514 -1.6514 1.5643 1.5643 1.6058 1.6058 7.2068 7.2068 7.3352 7.3352 12.0963 12.0963 12.1567 12.1567 k = 0.5000 0.2887 0.1262 ( 1540 PWs) bands (ev): -12.0831 -12.0831 -12.0789 -12.0789 -6.3748 -6.3748 -6.3658 -6.3658 -1.6525 -1.6525 -1.6513 -1.6513 1.5541 1.5541 1.6161 1.6161 7.1764 7.1764 7.3680 7.3680 12.0807 12.0807 12.1707 12.1707 k = 0.5000 0.2887 0.1183 ( 1542 PWs) bands (ev): -12.0838 -12.0838 -12.0782 -12.0782 -6.3762 -6.3762 -6.3644 -6.3644 -1.6527 -1.6527 -1.6510 -1.6510 1.5442 1.5442 1.6261 1.6261 7.1471 7.1471 7.4007 7.4007 12.0652 12.0652 12.1841 12.1841 k = 0.5000 0.2887 0.1104 ( 1546 PWs) bands (ev): -12.0845 -12.0845 -12.0775 -12.0775 -6.3776 -6.3776 -6.3631 -6.3631 -1.6529 -1.6529 -1.6508 -1.6508 1.5346 1.5346 1.6360 1.6360 7.1189 7.1189 7.4329 7.4329 12.0499 12.0499 12.1968 12.1968 k = 0.5000 0.2887 0.1025 ( 1544 PWs) bands (ev): -12.0851 -12.0851 -12.0769 -12.0769 -6.3789 -6.3789 -6.3617 -6.3617 -1.6531 -1.6531 -1.6506 -1.6506 1.5254 1.5254 1.6455 1.6455 7.0921 7.0921 7.4645 7.4645 12.0349 12.0349 12.2087 12.2087 k = 0.5000 0.2887 0.0947 ( 1540 PWs) bands (ev): -12.0857 -12.0857 -12.0763 -12.0763 -6.3802 -6.3802 -6.3604 -6.3604 -1.6534 -1.6534 -1.6504 -1.6504 1.5166 1.5166 1.6547 1.6547 7.0668 7.0668 7.4951 7.4951 12.0203 12.0203 12.2197 12.2197 k = 0.5000 0.2887 0.0868 ( 1538 PWs) bands (ev): -12.0863 -12.0863 -12.0757 -12.0757 -6.3814 -6.3814 -6.3592 -6.3592 -1.6536 -1.6536 -1.6503 -1.6503 1.5083 1.5083 1.6634 1.6634 7.0431 7.0431 7.5246 7.5246 12.0063 12.0063 12.2299 12.2299 k = 0.5000 0.2887 0.0789 ( 1536 PWs) bands (ev): -12.0869 -12.0869 -12.0751 -12.0751 -6.3825 -6.3825 -6.3580 -6.3580 -1.6537 -1.6537 -1.6501 -1.6501 1.5005 1.5005 1.6717 1.6717 7.0211 7.0211 7.5527 7.5527 11.9931 11.9931 12.2390 12.2390 k = 0.5000 0.2887 0.0710 ( 1544 PWs) bands (ev): -12.0874 -12.0874 -12.0746 -12.0746 -6.3836 -6.3836 -6.3570 -6.3570 -1.6539 -1.6539 -1.6499 -1.6499 1.4932 1.4932 1.6792 1.6792 7.0008 7.0008 7.5790 7.5790 11.9807 11.9807 12.2472 12.2472 k = 0.5000 0.2887 0.0631 ( 1544 PWs) bands (ev): -12.0878 -12.0878 -12.0742 -12.0742 -6.3846 -6.3846 -6.3560 -6.3560 -1.6541 -1.6541 -1.6498 -1.6498 1.4866 1.4866 1.6861 1.6861 6.9825 6.9825 7.6034 7.6034 11.9693 11.9693 12.2545 12.2545 k = 0.5000 0.2887 0.0552 ( 1544 PWs) bands (ev): -12.0882 -12.0882 -12.0738 -12.0738 -6.3854 -6.3854 -6.3551 -6.3551 -1.6542 -1.6542 -1.6497 -1.6497 1.4807 1.4807 1.6924 1.6924 6.9662 6.9662 7.6257 7.6257 11.9590 11.9590 12.2608 12.2608 k = 0.5000 0.2887 0.0473 ( 1544 PWs) bands (ev): -12.0886 -12.0886 -12.0734 -12.0734 -6.3862 -6.3862 -6.3544 -6.3544 -1.6543 -1.6543 -1.6495 -1.6495 1.4756 1.4756 1.6979 1.6979 6.9519 6.9519 7.6454 7.6454 11.9498 11.9498 12.2661 12.2661 k = 0.5000 0.2887 0.0394 ( 1544 PWs) bands (ev): -12.0889 -12.0889 -12.0731 -12.0731 -6.3868 -6.3868 -6.3537 -6.3537 -1.6544 -1.6544 -1.6495 -1.6495 1.4711 1.4711 1.7027 1.7027 6.9397 6.9397 7.6626 7.6626 11.9418 11.9419 12.2706 12.2706 k = 0.5000 0.2887 0.0316 ( 1540 PWs) bands (ev): -12.0892 -12.0892 -12.0728 -12.0728 -6.3874 -6.3874 -6.3531 -6.3531 -1.6545 -1.6545 -1.6494 -1.6494 1.4675 1.4675 1.7066 1.7066 6.9296 6.9296 7.6769 7.6769 11.9353 11.9353 12.2741 12.2741 k = 0.5000 0.2887 0.0237 ( 1540 PWs) bands (ev): -12.0894 -12.0894 -12.0726 -12.0726 -6.3878 -6.3878 -6.3527 -6.3527 -1.6546 -1.6546 -1.6493 -1.6493 1.4647 1.4647 1.7097 1.7097 6.9218 6.9218 7.6882 7.6882 11.9301 11.9301 12.2769 12.2769 k = 0.5000 0.2887 0.0158 ( 1534 PWs) bands (ev): -12.0895 -12.0895 -12.0725 -12.0725 -6.3880 -6.3880 -6.3524 -6.3524 -1.6545 -1.6545 -1.6492 -1.6492 1.4626 1.4626 1.7120 1.7120 6.9162 6.9162 7.6964 7.6964 11.9263 11.9263 12.2788 12.2788 k = 0.5000 0.2887 0.0079 ( 1526 PWs) bands (ev): -12.0896 -12.0896 -12.0724 -12.0724 -6.3882 -6.3882 -6.3522 -6.3522 -1.6545 -1.6545 -1.6492 -1.6492 1.4614 1.4614 1.7135 1.7135 6.9128 6.9128 7.7013 7.7013 11.9241 11.9241 12.2800 12.2800 k = 0.5000 0.2887-0.0000 ( 1530 PWs) bands (ev): -12.0896 -12.0896 -12.0723 -12.0723 -6.3883 -6.3883 -6.3522 -6.3522 -1.6545 -1.6545 -1.6492 -1.6492 1.4609 1.4609 1.7140 1.7140 6.9117 6.9117 7.7030 7.7030 11.9233 11.9233 12.2803 12.2803 k = 0.3333 0.5774-0.0000 ( 1545 PWs) bands (ev): -11.5185 -11.5185 -11.5046 -11.5046 -5.3772 -5.3772 -5.3721 -5.3721 -4.6861 -4.6861 -4.6798 -4.6798 2.3760 2.3760 2.5799 2.5799 7.1578 7.1578 7.1578 7.1578 15.0314 15.0314 15.0314 15.0314 k = 0.3333 0.5774 0.0079 ( 1545 PWs) bands (ev): -11.5185 -11.5185 -11.5046 -11.5046 -5.3772 -5.3772 -5.3721 -5.3721 -4.6861 -4.6861 -4.6798 -4.6798 2.3763 2.3763 2.5795 2.5795 7.1579 7.1579 7.1579 7.1579 15.0160 15.0160 15.0162 15.0162 k = 0.3333 0.5774 0.0158 ( 1545 PWs) bands (ev): -11.5184 -11.5184 -11.5047 -11.5047 -5.3772 -5.3772 -5.3720 -5.3720 -4.6862 -4.6862 -4.6798 -4.6798 2.3773 2.3773 2.5784 2.5784 7.1580 7.1580 7.1580 7.1580 14.9763 14.9763 14.9769 14.9769 k = 0.3333 0.5774 0.0237 ( 1551 PWs) bands (ev): -11.5183 -11.5183 -11.5048 -11.5048 -5.3772 -5.3772 -5.3721 -5.3721 -4.6862 -4.6862 -4.6799 -4.6799 2.3790 2.3790 2.5765 2.5765 7.1583 7.1583 7.1583 7.1583 14.9236 14.9236 14.9246 14.9246 k = 0.3333 0.5774 0.0316 ( 1551 PWs) bands (ev): -11.5181 -11.5181 -11.5050 -11.5050 -5.3772 -5.3772 -5.3720 -5.3720 -4.6862 -4.6862 -4.6799 -4.6799 2.3814 2.3814 2.5741 2.5741 7.1586 7.1586 7.1586 7.1586 14.8656 14.8656 14.8669 14.8669 k = 0.3333 0.5774 0.0394 ( 1557 PWs) bands (ev): -11.5179 -11.5179 -11.5052 -11.5052 -5.3772 -5.3772 -5.3721 -5.3721 -4.6863 -4.6863 -4.6800 -4.6799 2.3843 2.3843 2.5708 2.5708 7.1590 7.1590 7.1590 7.1590 14.8065 14.8065 14.8080 14.8080 k = 0.3333 0.5774 0.0473 ( 1554 PWs) bands (ev): -11.5177 -11.5177 -11.5054 -11.5054 -5.3772 -5.3772 -5.3720 -5.3720 -4.6863 -4.6863 -4.6800 -4.6800 2.3879 2.3879 2.5671 2.5671 7.1594 7.1594 7.1594 7.1594 14.7485 14.7485 14.7501 14.7501 k = 0.3333 0.5774 0.0552 ( 1560 PWs) bands (ev): -11.5174 -11.5174 -11.5057 -11.5057 -5.3772 -5.3772 -5.3720 -5.3720 -4.6863 -4.6863 -4.6800 -4.6800 2.3921 2.3921 2.5627 2.5627 7.1599 7.1599 7.1599 7.1599 14.6928 14.6928 14.6944 14.6944 k = 0.3333 0.5774 0.0631 ( 1548 PWs) bands (ev): -11.5170 -11.5170 -11.5061 -11.5061 -5.3772 -5.3772 -5.3720 -5.3720 -4.6863 -4.6863 -4.6800 -4.6800 2.3969 2.3969 2.5578 2.5578 7.1605 7.1605 7.1605 7.1605 14.6402 14.6402 14.6419 14.6419 k = 0.3333 0.5774 0.0710 ( 1548 PWs) bands (ev): -11.5167 -11.5167 -11.5064 -11.5064 -5.3772 -5.3772 -5.3720 -5.3720 -4.6863 -4.6863 -4.6800 -4.6800 2.4022 2.4022 2.5523 2.5523 7.1611 7.1611 7.1611 7.1611 14.5912 14.5912 14.5929 14.5929 k = 0.3333 0.5774 0.0789 ( 1542 PWs) bands (ev): -11.5163 -11.5163 -11.5068 -11.5068 -5.3771 -5.3771 -5.3719 -5.3719 -4.6863 -4.6863 -4.6800 -4.6800 2.4081 2.4081 2.5462 2.5462 7.1616 7.1616 7.1616 7.1616 14.5461 14.5461 14.5479 14.5479 k = 0.3333 0.5774 0.0868 ( 1536 PWs) bands (ev): -11.5158 -11.5158 -11.5073 -11.5073 -5.3771 -5.3771 -5.3719 -5.3719 -4.6863 -4.6863 -4.6800 -4.6800 2.4145 2.4145 2.5397 2.5397 7.1622 7.1622 7.1622 7.1622 14.5053 14.5053 14.5071 14.5071 k = 0.3333 0.5774 0.0947 ( 1548 PWs) bands (ev): -11.5154 -11.5154 -11.5077 -11.5077 -5.3771 -5.3771 -5.3719 -5.3719 -4.6864 -4.6864 -4.6801 -4.6801 2.4210 2.4210 2.5325 2.5325 7.1628 7.1628 7.1628 7.1628 14.4688 14.4688 14.4706 14.4706 k = 0.3333 0.5774 0.1025 ( 1554 PWs) bands (ev): -11.5149 -11.5149 -11.5082 -11.5082 -5.3771 -5.3771 -5.3719 -5.3719 -4.6864 -4.6864 -4.6801 -4.6801 2.4281 2.4281 2.5250 2.5250 7.1633 7.1633 7.1633 7.1633 14.4369 14.4369 14.4387 14.4387 k = 0.3333 0.5774 0.1104 ( 1554 PWs) bands (ev): -11.5144 -11.5144 -11.5088 -11.5088 -5.3771 -5.3771 -5.3719 -5.3719 -4.6864 -4.6864 -4.6801 -4.6801 2.4356 2.4356 2.5173 2.5173 7.1637 7.1637 7.1637 7.1637 14.4098 14.4098 14.4116 14.4116 k = 0.3333 0.5774 0.1183 ( 1554 PWs) bands (ev): -11.5138 -11.5138 -11.5093 -11.5093 -5.3771 -5.3771 -5.3719 -5.3719 -4.6864 -4.6864 -4.6801 -4.6801 2.4434 2.4434 2.5093 2.5093 7.1641 7.1641 7.1641 7.1641 14.3874 14.3874 14.3892 14.3892 k = 0.3333 0.5774 0.1262 ( 1557 PWs) bands (ev): -11.5133 -11.5133 -11.5098 -11.5098 -5.3770 -5.3770 -5.3719 -5.3719 -4.6865 -4.6865 -4.6801 -4.6801 2.4512 2.4512 2.5012 2.5012 7.1644 7.1644 7.1644 7.1644 14.3699 14.3699 14.3718 14.3718 k = 0.3333 0.5774 0.1341 ( 1557 PWs) bands (ev): -11.5127 -11.5127 -11.5104 -11.5104 -5.3770 -5.3770 -5.3719 -5.3719 -4.6865 -4.6865 -4.6802 -4.6802 2.4594 2.4594 2.4929 2.4929 7.1647 7.1647 7.1647 7.1647 14.3574 14.3574 14.3592 14.3592 k = 0.3333 0.5774 0.1420 ( 1560 PWs) bands (ev): -11.5122 -11.5122 -11.5109 -11.5109 -5.3770 -5.3770 -5.3719 -5.3719 -4.6865 -4.6865 -4.6802 -4.6802 2.4677 2.4677 2.4845 2.4845 7.1648 7.1648 7.1648 7.1648 14.3499 14.3499 14.3517 14.3517 k = 0.3333 0.5774 0.1499 ( 1560 PWs) bands (ev): -11.5118 -11.5118 -11.5113 -11.5113 -5.3770 -5.3770 -5.3719 -5.3719 -4.6865 -4.6865 -4.6802 -4.6802 2.4761 2.4761 2.4761 2.4761 7.1648 7.1648 7.1649 7.1649 14.3474 14.3474 14.3492 14.3492 Writing output data file BN.save init_run : 0.16s CPU 0.51s WALL ( 1 calls) electrons : 47.88s CPU 52.63s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.03s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 47.88s CPU 52.62s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.00s CPU 0.00s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 464 calls) cegterg : 44.36s CPU 45.25s WALL ( 621 calls) Called by sum_band: Called by *egterg: h_psi : 18.99s CPU 20.24s WALL ( 10048 calls) s_psi : 0.46s CPU 0.47s WALL ( 10048 calls) g_psi : 0.04s CPU 0.05s WALL ( 8963 calls) cdiaghg : 23.82s CPU 23.52s WALL ( 9427 calls) cegterg:over : 1.32s CPU 1.37s WALL ( 8963 calls) cegterg:upda : 1.13s CPU 1.10s WALL ( 8963 calls) cegterg:last : 0.54s CPU 0.56s WALL ( 1550 calls) cdiaghg:chol : 1.20s CPU 1.21s WALL ( 9427 calls) cdiaghg:inve : 0.34s CPU 0.36s WALL ( 9427 calls) cdiaghg:para : 1.46s CPU 1.56s WALL ( 18854 calls) Called by h_psi: h_psi:vloc : 17.42s CPU 18.67s WALL ( 10048 calls) h_psi:vnl : 1.52s CPU 1.54s WALL ( 10048 calls) add_vuspsi : 0.55s CPU 0.58s WALL ( 10048 calls) General routines calbec : 0.94s CPU 0.93s WALL ( 10048 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 16.32s CPU 17.54s WALL ( 476992 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.11s WALL ( 928 calls) Parallel routines fft_scatter : 8.16s CPU 9.04s WALL ( 477015 calls) PWSCF : 0m55.62s CPU 1m46.69s WALL This run was terminated on: 15:45:33 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=