Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 15:44:23 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BN.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 13 7 2 667 261 44 Max 14 8 3 682 280 59 Sum 499 271 85 24355 9683 1783 bravais-lattice index = 14 lattice parameter (alat) = 4.7432 a.u. unit-cell volume = 246.3206 (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)= 4.743212 celldm(2)= 1.000000 celldm(3)= 2.665339 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 2.665339 ) 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 0.375187 ) 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 s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -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 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 7 120 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 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 -0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 180 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 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s(15) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) 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 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) 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 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(21) = ( -0.5000000 0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) 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= 479 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020877 k( 2) = ( 0.0068493 0.0039545 -0.0000000), wk = 0.0020877 k( 3) = ( 0.0136986 0.0079089 -0.0000000), wk = 0.0020877 k( 4) = ( 0.0205479 0.0118634 -0.0000000), wk = 0.0020877 k( 5) = ( 0.0273973 0.0158178 -0.0000000), wk = 0.0020877 k( 6) = ( 0.0342466 0.0197723 -0.0000000), wk = 0.0020877 k( 7) = ( 0.0410959 0.0237267 -0.0000000), wk = 0.0020877 k( 8) = ( 0.0479452 0.0276812 -0.0000000), wk = 0.0020877 k( 9) = ( 0.0547945 0.0316356 -0.0000000), wk = 0.0020877 k( 10) = ( 0.0616438 0.0355901 -0.0000000), wk = 0.0020877 k( 11) = ( 0.0684932 0.0395445 -0.0000000), wk = 0.0020877 k( 12) = ( 0.0753425 0.0434990 -0.0000000), wk = 0.0020877 k( 13) = ( 0.0821918 0.0474534 -0.0000000), wk = 0.0020877 k( 14) = ( 0.0890411 0.0514079 -0.0000000), wk = 0.0020877 k( 15) = ( 0.0958904 0.0553624 -0.0000000), wk = 0.0020877 k( 16) = ( 0.1027397 0.0593168 -0.0000000), wk = 0.0020877 k( 17) = ( 0.1095890 0.0632713 -0.0000000), wk = 0.0020877 k( 18) = ( 0.1164384 0.0672257 -0.0000000), wk = 0.0020877 k( 19) = ( 0.1232877 0.0711802 -0.0000000), wk = 0.0020877 k( 20) = ( 0.1301370 0.0751346 -0.0000000), wk = 0.0020877 k( 21) = ( 0.1369863 0.0790891 -0.0000000), wk = 0.0020877 k( 22) = ( 0.1438356 0.0830435 -0.0000000), wk = 0.0020877 k( 23) = ( 0.1506849 0.0869980 -0.0000000), wk = 0.0020877 k( 24) = ( 0.1575342 0.0909524 -0.0000000), wk = 0.0020877 k( 25) = ( 0.1643836 0.0949069 -0.0000000), wk = 0.0020877 k( 26) = ( 0.1712329 0.0988613 -0.0000000), wk = 0.0020877 k( 27) = ( 0.1780822 0.1028158 -0.0000000), wk = 0.0020877 k( 28) = ( 0.1849315 0.1067703 -0.0000000), wk = 0.0020877 k( 29) = ( 0.1917808 0.1107247 -0.0000000), wk = 0.0020877 k( 30) = ( 0.1986301 0.1146792 -0.0000000), wk = 0.0020877 k( 31) = ( 0.2054795 0.1186336 -0.0000000), wk = 0.0020877 k( 32) = ( 0.2123288 0.1225881 -0.0000000), wk = 0.0020877 k( 33) = ( 0.2191781 0.1265425 -0.0000000), wk = 0.0020877 k( 34) = ( 0.2260274 0.1304970 -0.0000000), wk = 0.0020877 k( 35) = ( 0.2328767 0.1344514 -0.0000000), wk = 0.0020877 k( 36) = ( 0.2397260 0.1384059 -0.0000000), wk = 0.0020877 k( 37) = ( 0.2465753 0.1423603 -0.0000000), wk = 0.0020877 k( 38) = ( 0.2534247 0.1463148 -0.0000000), wk = 0.0020877 k( 39) = ( 0.2602740 0.1502692 -0.0000000), wk = 0.0020877 k( 40) = ( 0.2671233 0.1542237 -0.0000000), wk = 0.0020877 k( 41) = ( 0.2739726 0.1581782 -0.0000000), wk = 0.0020877 k( 42) = ( 0.2808219 0.1621326 -0.0000000), wk = 0.0020877 k( 43) = ( 0.2876712 0.1660871 -0.0000000), wk = 0.0020877 k( 44) = ( 0.2945205 0.1700415 -0.0000000), wk = 0.0020877 k( 45) = ( 0.3013699 0.1739960 -0.0000000), wk = 0.0020877 k( 46) = ( 0.3082192 0.1779504 -0.0000000), wk = 0.0020877 k( 47) = ( 0.3150685 0.1819049 -0.0000000), wk = 0.0020877 k( 48) = ( 0.3219178 0.1858593 -0.0000000), wk = 0.0020877 k( 49) = ( 0.3287671 0.1898138 -0.0000000), wk = 0.0020877 k( 50) = ( 0.3356164 0.1937682 -0.0000000), wk = 0.0020877 k( 51) = ( 0.3424658 0.1977227 -0.0000000), wk = 0.0020877 k( 52) = ( 0.3493151 0.2016771 -0.0000000), wk = 0.0020877 k( 53) = ( 0.3561644 0.2056316 -0.0000000), wk = 0.0020877 k( 54) = ( 0.3630137 0.2095861 -0.0000000), wk = 0.0020877 k( 55) = ( 0.3698630 0.2135405 -0.0000000), wk = 0.0020877 k( 56) = ( 0.3767123 0.2174950 -0.0000000), wk = 0.0020877 k( 57) = ( 0.3835616 0.2214494 -0.0000000), wk = 0.0020877 k( 58) = ( 0.3904110 0.2254039 -0.0000000), wk = 0.0020877 k( 59) = ( 0.3972603 0.2293583 -0.0000000), wk = 0.0020877 k( 60) = ( 0.4041096 0.2333128 -0.0000000), wk = 0.0020877 k( 61) = ( 0.4109589 0.2372672 -0.0000000), wk = 0.0020877 k( 62) = ( 0.4178082 0.2412217 -0.0000000), wk = 0.0020877 k( 63) = ( 0.4246575 0.2451761 -0.0000000), wk = 0.0020877 k( 64) = ( 0.4315068 0.2491306 -0.0000000), wk = 0.0020877 k( 65) = ( 0.4383562 0.2530850 -0.0000000), wk = 0.0020877 k( 66) = ( 0.4452055 0.2570395 -0.0000000), wk = 0.0020877 k( 67) = ( 0.4520548 0.2609940 -0.0000000), wk = 0.0020877 k( 68) = ( 0.4589041 0.2649484 -0.0000000), wk = 0.0020877 k( 69) = ( 0.4657534 0.2689029 -0.0000000), wk = 0.0020877 k( 70) = ( 0.4726027 0.2728573 -0.0000000), wk = 0.0020877 k( 71) = ( 0.4794521 0.2768118 -0.0000000), wk = 0.0020877 k( 72) = ( 0.4863014 0.2807662 -0.0000000), wk = 0.0020877 k( 73) = ( 0.4931507 0.2847207 -0.0000000), wk = 0.0020877 k( 74) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0020877 k( 75) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0020877 k( 76) = ( 0.4960317 0.2955484 -0.0000000), wk = 0.0020877 k( 77) = ( 0.4920635 0.3024216 -0.0000000), wk = 0.0020877 k( 78) = ( 0.4880952 0.3092948 -0.0000000), wk = 0.0020877 k( 79) = ( 0.4841270 0.3161680 -0.0000000), wk = 0.0020877 k( 80) = ( 0.4801587 0.3230412 -0.0000000), wk = 0.0020877 k( 81) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0020877 k( 82) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0020877 k( 83) = ( 0.4682540 0.3436609 -0.0000000), wk = 0.0020877 k( 84) = ( 0.4642857 0.3505341 -0.0000000), wk = 0.0020877 k( 85) = ( 0.4603175 0.3574073 -0.0000000), wk = 0.0020877 k( 86) = ( 0.4563492 0.3642805 -0.0000000), wk = 0.0020877 k( 87) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0020877 k( 88) = ( 0.4484127 0.3780270 -0.0000000), wk = 0.0020877 k( 89) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0020877 k( 90) = ( 0.4404762 0.3917734 -0.0000000), wk = 0.0020877 k( 91) = ( 0.4365079 0.3986466 -0.0000000), wk = 0.0020877 k( 92) = ( 0.4325397 0.4055198 -0.0000000), wk = 0.0020877 k( 93) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0020877 k( 94) = ( 0.4246032 0.4192663 -0.0000000), wk = 0.0020877 k( 95) = ( 0.4206349 0.4261395 -0.0000000), wk = 0.0020877 k( 96) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0020877 k( 97) = ( 0.4126984 0.4398859 -0.0000000), wk = 0.0020877 k( 98) = ( 0.4087302 0.4467591 -0.0000000), wk = 0.0020877 k( 99) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0020877 k( 100) = ( 0.4007937 0.4605056 -0.0000000), wk = 0.0020877 k( 101) = ( 0.3968254 0.4673788 -0.0000000), wk = 0.0020877 k( 102) = ( 0.3928571 0.4742520 -0.0000000), wk = 0.0020877 k( 103) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0020877 k( 104) = ( 0.3849206 0.4879984 -0.0000000), wk = 0.0020877 k( 105) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0020877 k( 106) = ( 0.3769841 0.5017449 -0.0000000), wk = 0.0020877 k( 107) = ( 0.3730159 0.5086181 -0.0000000), wk = 0.0020877 k( 108) = ( 0.3690476 0.5154913 -0.0000000), wk = 0.0020877 k( 109) = ( 0.3650794 0.5223645 -0.0000000), wk = 0.0020877 k( 110) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0020877 k( 111) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0020877 k( 112) = ( 0.3531746 0.5429842 -0.0000000), wk = 0.0020877 k( 113) = ( 0.3492063 0.5498574 -0.0000000), wk = 0.0020877 k( 114) = ( 0.3452381 0.5567306 -0.0000000), wk = 0.0020877 k( 115) = ( 0.3412698 0.5636038 -0.0000000), wk = 0.0020877 k( 116) = ( 0.3373016 0.5704771 -0.0000000), wk = 0.0020877 k( 117) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0020877 k( 118) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0020877 k( 119) = ( 0.3293651 0.5704771 -0.0000000), wk = 0.0020877 k( 120) = ( 0.3253968 0.5636038 -0.0000000), wk = 0.0020877 k( 121) = ( 0.3214286 0.5567306 -0.0000000), wk = 0.0020877 k( 122) = ( 0.3174603 0.5498574 -0.0000000), wk = 0.0020877 k( 123) = ( 0.3134921 0.5429842 -0.0000000), wk = 0.0020877 k( 124) = ( 0.3095238 0.5361110 -0.0000000), wk = 0.0020877 k( 125) = ( 0.3055556 0.5292378 -0.0000000), wk = 0.0020877 k( 126) = ( 0.3015873 0.5223645 -0.0000000), wk = 0.0020877 k( 127) = ( 0.2976190 0.5154913 -0.0000000), wk = 0.0020877 k( 128) = ( 0.2936508 0.5086181 -0.0000000), wk = 0.0020877 k( 129) = ( 0.2896825 0.5017449 -0.0000000), wk = 0.0020877 k( 130) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0020877 k( 131) = ( 0.2817460 0.4879984 -0.0000000), wk = 0.0020877 k( 132) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0020877 k( 133) = ( 0.2738095 0.4742520 -0.0000000), wk = 0.0020877 k( 134) = ( 0.2698413 0.4673788 -0.0000000), wk = 0.0020877 k( 135) = ( 0.2658730 0.4605056 -0.0000000), wk = 0.0020877 k( 136) = ( 0.2619048 0.4536324 -0.0000000), wk = 0.0020877 k( 137) = ( 0.2579365 0.4467591 -0.0000000), wk = 0.0020877 k( 138) = ( 0.2539683 0.4398859 -0.0000000), wk = 0.0020877 k( 139) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0020877 k( 140) = ( 0.2460317 0.4261395 -0.0000000), wk = 0.0020877 k( 141) = ( 0.2420635 0.4192663 -0.0000000), wk = 0.0020877 k( 142) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0020877 k( 143) = ( 0.2341270 0.4055198 -0.0000000), wk = 0.0020877 k( 144) = ( 0.2301587 0.3986466 -0.0000000), wk = 0.0020877 k( 145) = ( 0.2261905 0.3917734 -0.0000000), wk = 0.0020877 k( 146) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0020877 k( 147) = ( 0.2182540 0.3780270 -0.0000000), wk = 0.0020877 k( 148) = ( 0.2142857 0.3711537 -0.0000000), wk = 0.0020877 k( 149) = ( 0.2103175 0.3642805 -0.0000000), wk = 0.0020877 k( 150) = ( 0.2063492 0.3574073 -0.0000000), wk = 0.0020877 k( 151) = ( 0.2023810 0.3505341 -0.0000000), wk = 0.0020877 k( 152) = ( 0.1984127 0.3436609 -0.0000000), wk = 0.0020877 k( 153) = ( 0.1944444 0.3367876 -0.0000000), wk = 0.0020877 k( 154) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0020877 k( 155) = ( 0.1865079 0.3230412 -0.0000000), wk = 0.0020877 k( 156) = ( 0.1825397 0.3161680 -0.0000000), wk = 0.0020877 k( 157) = ( 0.1785714 0.3092948 -0.0000000), wk = 0.0020877 k( 158) = ( 0.1746032 0.3024216 -0.0000000), wk = 0.0020877 k( 159) = ( 0.1706349 0.2955484 -0.0000000), wk = 0.0020877 k( 160) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0020877 k( 161) = ( 0.1626984 0.2818019 -0.0000000), wk = 0.0020877 k( 162) = ( 0.1587302 0.2749287 -0.0000000), wk = 0.0020877 k( 163) = ( 0.1547619 0.2680555 -0.0000000), wk = 0.0020877 k( 164) = ( 0.1507937 0.2611823 -0.0000000), wk = 0.0020877 k( 165) = ( 0.1468254 0.2543091 -0.0000000), wk = 0.0020877 k( 166) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0020877 k( 167) = ( 0.1388889 0.2405626 -0.0000000), wk = 0.0020877 k( 168) = ( 0.1349206 0.2336894 -0.0000000), wk = 0.0020877 k( 169) = ( 0.1309524 0.2268162 -0.0000000), wk = 0.0020877 k( 170) = ( 0.1269841 0.2199430 -0.0000000), wk = 0.0020877 k( 171) = ( 0.1230159 0.2130697 -0.0000000), wk = 0.0020877 k( 172) = ( 0.1190476 0.2061965 -0.0000000), wk = 0.0020877 k( 173) = ( 0.1150794 0.1993233 -0.0000000), wk = 0.0020877 k( 174) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0020877 k( 175) = ( 0.1071429 0.1855769 -0.0000000), wk = 0.0020877 k( 176) = ( 0.1031746 0.1787036 -0.0000000), wk = 0.0020877 k( 177) = ( 0.0992063 0.1718304 -0.0000000), wk = 0.0020877 k( 178) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0020877 k( 179) = ( 0.0912698 0.1580840 -0.0000000), wk = 0.0020877 k( 180) = ( 0.0873016 0.1512108 -0.0000000), wk = 0.0020877 k( 181) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0020877 k( 182) = ( 0.0793651 0.1374644 -0.0000000), wk = 0.0020877 k( 183) = ( 0.0753968 0.1305911 -0.0000000), wk = 0.0020877 k( 184) = ( 0.0714286 0.1237179 -0.0000000), wk = 0.0020877 k( 185) = ( 0.0674603 0.1168447 -0.0000000), wk = 0.0020877 k( 186) = ( 0.0634921 0.1099715 -0.0000000), wk = 0.0020877 k( 187) = ( 0.0595238 0.1030983 -0.0000000), wk = 0.0020877 k( 188) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0020877 k( 189) = ( 0.0515873 0.0893518 -0.0000000), wk = 0.0020877 k( 190) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0020877 k( 191) = ( 0.0436508 0.0756054 -0.0000000), wk = 0.0020877 k( 192) = ( 0.0396825 0.0687322 -0.0000000), wk = 0.0020877 k( 193) = ( 0.0357143 0.0618590 -0.0000000), wk = 0.0020877 k( 194) = ( 0.0317460 0.0549857 -0.0000000), wk = 0.0020877 k( 195) = ( 0.0277778 0.0481125 -0.0000000), wk = 0.0020877 k( 196) = ( 0.0238095 0.0412393 -0.0000000), wk = 0.0020877 k( 197) = ( 0.0198413 0.0343661 -0.0000000), wk = 0.0020877 k( 198) = ( 0.0158730 0.0274929 -0.0000000), wk = 0.0020877 k( 199) = ( 0.0119048 0.0206196 -0.0000000), wk = 0.0020877 k( 200) = ( 0.0079365 0.0137464 -0.0000000), wk = 0.0020877 k( 201) = ( 0.0039683 0.0068732 -0.0000000), wk = 0.0020877 k( 202) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020877 k( 203) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020877 k( 204) = ( 0.0000000 0.0000000 0.0078164), wk = 0.0020877 k( 205) = ( 0.0000000 0.0000000 0.0156328), wk = 0.0020877 k( 206) = ( 0.0000000 0.0000000 0.0234492), wk = 0.0020877 k( 207) = ( 0.0000000 0.0000000 0.0312656), wk = 0.0020877 k( 208) = ( 0.0000000 0.0000000 0.0390820), wk = 0.0020877 k( 209) = ( 0.0000000 0.0000000 0.0468984), wk = 0.0020877 k( 210) = ( 0.0000000 0.0000000 0.0547147), wk = 0.0020877 k( 211) = ( 0.0000000 0.0000000 0.0625311), wk = 0.0020877 k( 212) = ( 0.0000000 0.0000000 0.0703475), wk = 0.0020877 k( 213) = ( 0.0000000 0.0000000 0.0781639), wk = 0.0020877 k( 214) = ( 0.0000000 0.0000000 0.0859803), wk = 0.0020877 k( 215) = ( 0.0000000 0.0000000 0.0937967), wk = 0.0020877 k( 216) = ( 0.0000000 0.0000000 0.1016131), wk = 0.0020877 k( 217) = ( 0.0000000 0.0000000 0.1094295), wk = 0.0020877 k( 218) = ( 0.0000000 0.0000000 0.1172459), wk = 0.0020877 k( 219) = ( 0.0000000 0.0000000 0.1250623), wk = 0.0020877 k( 220) = ( 0.0000000 0.0000000 0.1328787), wk = 0.0020877 k( 221) = ( 0.0000000 0.0000000 0.1406951), wk = 0.0020877 k( 222) = ( 0.0000000 0.0000000 0.1485115), wk = 0.0020877 k( 223) = ( 0.0000000 0.0000000 0.1563279), wk = 0.0020877 k( 224) = ( 0.0000000 0.0000000 0.1641442), wk = 0.0020877 k( 225) = ( 0.0000000 0.0000000 0.1719606), wk = 0.0020877 k( 226) = ( 0.0000000 0.0000000 0.1797770), wk = 0.0020877 k( 227) = ( 0.0000000 0.0000000 0.1875934), wk = 0.0020877 k( 228) = ( 0.0000000 0.0000000 0.1875934), wk = 0.0020877 k( 229) = ( 0.0068493 0.0039545 0.1875934), wk = 0.0020877 k( 230) = ( 0.0136986 0.0079089 0.1875934), wk = 0.0020877 k( 231) = ( 0.0205479 0.0118634 0.1875934), wk = 0.0020877 k( 232) = ( 0.0273973 0.0158178 0.1875934), wk = 0.0020877 k( 233) = ( 0.0342466 0.0197723 0.1875934), wk = 0.0020877 k( 234) = ( 0.0410959 0.0237267 0.1875934), wk = 0.0020877 k( 235) = ( 0.0479452 0.0276812 0.1875934), wk = 0.0020877 k( 236) = ( 0.0547945 0.0316356 0.1875934), wk = 0.0020877 k( 237) = ( 0.0616438 0.0355901 0.1875934), wk = 0.0020877 k( 238) = ( 0.0684932 0.0395445 0.1875934), wk = 0.0020877 k( 239) = ( 0.0753425 0.0434990 0.1875934), wk = 0.0020877 k( 240) = ( 0.0821918 0.0474534 0.1875934), wk = 0.0020877 k( 241) = ( 0.0890411 0.0514079 0.1875934), wk = 0.0020877 k( 242) = ( 0.0958904 0.0553624 0.1875934), wk = 0.0020877 k( 243) = ( 0.1027397 0.0593168 0.1875934), wk = 0.0020877 k( 244) = ( 0.1095890 0.0632713 0.1875934), wk = 0.0020877 k( 245) = ( 0.1164384 0.0672257 0.1875934), wk = 0.0020877 k( 246) = ( 0.1232877 0.0711802 0.1875934), wk = 0.0020877 k( 247) = ( 0.1301370 0.0751346 0.1875934), wk = 0.0020877 k( 248) = ( 0.1369863 0.0790891 0.1875934), wk = 0.0020877 k( 249) = ( 0.1438356 0.0830435 0.1875934), wk = 0.0020877 k( 250) = ( 0.1506849 0.0869980 0.1875934), wk = 0.0020877 k( 251) = ( 0.1575342 0.0909524 0.1875934), wk = 0.0020877 k( 252) = ( 0.1643836 0.0949069 0.1875934), wk = 0.0020877 k( 253) = ( 0.1712329 0.0988613 0.1875934), wk = 0.0020877 k( 254) = ( 0.1780822 0.1028158 0.1875934), wk = 0.0020877 k( 255) = ( 0.1849315 0.1067703 0.1875934), wk = 0.0020877 k( 256) = ( 0.1917808 0.1107247 0.1875934), wk = 0.0020877 k( 257) = ( 0.1986301 0.1146792 0.1875934), wk = 0.0020877 k( 258) = ( 0.2054795 0.1186336 0.1875934), wk = 0.0020877 k( 259) = ( 0.2123288 0.1225881 0.1875934), wk = 0.0020877 k( 260) = ( 0.2191781 0.1265425 0.1875934), wk = 0.0020877 k( 261) = ( 0.2260274 0.1304970 0.1875934), wk = 0.0020877 k( 262) = ( 0.2328767 0.1344514 0.1875934), wk = 0.0020877 k( 263) = ( 0.2397260 0.1384059 0.1875934), wk = 0.0020877 k( 264) = ( 0.2465753 0.1423603 0.1875934), wk = 0.0020877 k( 265) = ( 0.2534247 0.1463148 0.1875934), wk = 0.0020877 k( 266) = ( 0.2602740 0.1502692 0.1875934), wk = 0.0020877 k( 267) = ( 0.2671233 0.1542237 0.1875934), wk = 0.0020877 k( 268) = ( 0.2739726 0.1581782 0.1875934), wk = 0.0020877 k( 269) = ( 0.2808219 0.1621326 0.1875934), wk = 0.0020877 k( 270) = ( 0.2876712 0.1660871 0.1875934), wk = 0.0020877 k( 271) = ( 0.2945205 0.1700415 0.1875934), wk = 0.0020877 k( 272) = ( 0.3013699 0.1739960 0.1875934), wk = 0.0020877 k( 273) = ( 0.3082192 0.1779504 0.1875934), wk = 0.0020877 k( 274) = ( 0.3150685 0.1819049 0.1875934), wk = 0.0020877 k( 275) = ( 0.3219178 0.1858593 0.1875934), wk = 0.0020877 k( 276) = ( 0.3287671 0.1898138 0.1875934), wk = 0.0020877 k( 277) = ( 0.3356164 0.1937682 0.1875934), wk = 0.0020877 k( 278) = ( 0.3424658 0.1977227 0.1875934), wk = 0.0020877 k( 279) = ( 0.3493151 0.2016771 0.1875934), wk = 0.0020877 k( 280) = ( 0.3561644 0.2056316 0.1875934), wk = 0.0020877 k( 281) = ( 0.3630137 0.2095861 0.1875934), wk = 0.0020877 k( 282) = ( 0.3698630 0.2135405 0.1875934), wk = 0.0020877 k( 283) = ( 0.3767123 0.2174950 0.1875934), wk = 0.0020877 k( 284) = ( 0.3835616 0.2214494 0.1875934), wk = 0.0020877 k( 285) = ( 0.3904110 0.2254039 0.1875934), wk = 0.0020877 k( 286) = ( 0.3972603 0.2293583 0.1875934), wk = 0.0020877 k( 287) = ( 0.4041096 0.2333128 0.1875934), wk = 0.0020877 k( 288) = ( 0.4109589 0.2372672 0.1875934), wk = 0.0020877 k( 289) = ( 0.4178082 0.2412217 0.1875934), wk = 0.0020877 k( 290) = ( 0.4246575 0.2451761 0.1875934), wk = 0.0020877 k( 291) = ( 0.4315068 0.2491306 0.1875934), wk = 0.0020877 k( 292) = ( 0.4383562 0.2530850 0.1875934), wk = 0.0020877 k( 293) = ( 0.4452055 0.2570395 0.1875934), wk = 0.0020877 k( 294) = ( 0.4520548 0.2609940 0.1875934), wk = 0.0020877 k( 295) = ( 0.4589041 0.2649484 0.1875934), wk = 0.0020877 k( 296) = ( 0.4657534 0.2689029 0.1875934), wk = 0.0020877 k( 297) = ( 0.4726027 0.2728573 0.1875934), wk = 0.0020877 k( 298) = ( 0.4794521 0.2768118 0.1875934), wk = 0.0020877 k( 299) = ( 0.4863014 0.2807662 0.1875934), wk = 0.0020877 k( 300) = ( 0.4931507 0.2847207 0.1875934), wk = 0.0020877 k( 301) = ( 0.5000000 0.2886751 0.1875934), wk = 0.0020877 k( 302) = ( 0.5000000 0.2886751 0.1875934), wk = 0.0020877 k( 303) = ( 0.4960317 0.2955484 0.1875934), wk = 0.0020877 k( 304) = ( 0.4920635 0.3024216 0.1875934), wk = 0.0020877 k( 305) = ( 0.4880952 0.3092948 0.1875934), wk = 0.0020877 k( 306) = ( 0.4841270 0.3161680 0.1875934), wk = 0.0020877 k( 307) = ( 0.4801587 0.3230412 0.1875934), wk = 0.0020877 k( 308) = ( 0.4761905 0.3299144 0.1875934), wk = 0.0020877 k( 309) = ( 0.4722222 0.3367877 0.1875934), wk = 0.0020877 k( 310) = ( 0.4682540 0.3436609 0.1875934), wk = 0.0020877 k( 311) = ( 0.4642857 0.3505341 0.1875934), wk = 0.0020877 k( 312) = ( 0.4603175 0.3574073 0.1875934), wk = 0.0020877 k( 313) = ( 0.4563492 0.3642805 0.1875934), wk = 0.0020877 k( 314) = ( 0.4523810 0.3711537 0.1875934), wk = 0.0020877 k( 315) = ( 0.4484127 0.3780270 0.1875934), wk = 0.0020877 k( 316) = ( 0.4444444 0.3849002 0.1875934), wk = 0.0020877 k( 317) = ( 0.4404762 0.3917734 0.1875934), wk = 0.0020877 k( 318) = ( 0.4365079 0.3986466 0.1875934), wk = 0.0020877 k( 319) = ( 0.4325397 0.4055198 0.1875934), wk = 0.0020877 k( 320) = ( 0.4285714 0.4123930 0.1875934), wk = 0.0020877 k( 321) = ( 0.4246032 0.4192663 0.1875934), wk = 0.0020877 k( 322) = ( 0.4206349 0.4261395 0.1875934), wk = 0.0020877 k( 323) = ( 0.4166667 0.4330127 0.1875934), wk = 0.0020877 k( 324) = ( 0.4126984 0.4398859 0.1875934), wk = 0.0020877 k( 325) = ( 0.4087302 0.4467591 0.1875934), wk = 0.0020877 k( 326) = ( 0.4047619 0.4536324 0.1875934), wk = 0.0020877 k( 327) = ( 0.4007937 0.4605056 0.1875934), wk = 0.0020877 k( 328) = ( 0.3968254 0.4673788 0.1875934), wk = 0.0020877 k( 329) = ( 0.3928571 0.4742520 0.1875934), wk = 0.0020877 k( 330) = ( 0.3888889 0.4811252 0.1875934), wk = 0.0020877 k( 331) = ( 0.3849206 0.4879984 0.1875934), wk = 0.0020877 k( 332) = ( 0.3809524 0.4948717 0.1875934), wk = 0.0020877 k( 333) = ( 0.3769841 0.5017449 0.1875934), wk = 0.0020877 k( 334) = ( 0.3730159 0.5086181 0.1875934), wk = 0.0020877 k( 335) = ( 0.3690476 0.5154913 0.1875934), wk = 0.0020877 k( 336) = ( 0.3650794 0.5223645 0.1875934), wk = 0.0020877 k( 337) = ( 0.3611111 0.5292377 0.1875934), wk = 0.0020877 k( 338) = ( 0.3571429 0.5361110 0.1875934), wk = 0.0020877 k( 339) = ( 0.3531746 0.5429842 0.1875934), wk = 0.0020877 k( 340) = ( 0.3492063 0.5498574 0.1875934), wk = 0.0020877 k( 341) = ( 0.3452381 0.5567306 0.1875934), wk = 0.0020877 k( 342) = ( 0.3412698 0.5636038 0.1875934), wk = 0.0020877 k( 343) = ( 0.3373016 0.5704771 0.1875934), wk = 0.0020877 k( 344) = ( 0.3333333 0.5773503 0.1875934), wk = 0.0020877 k( 345) = ( 0.3333333 0.5773503 0.1875934), wk = 0.0020877 k( 346) = ( 0.3293651 0.5704771 0.1875934), wk = 0.0020877 k( 347) = ( 0.3253968 0.5636038 0.1875934), wk = 0.0020877 k( 348) = ( 0.3214286 0.5567306 0.1875934), wk = 0.0020877 k( 349) = ( 0.3174603 0.5498574 0.1875934), wk = 0.0020877 k( 350) = ( 0.3134921 0.5429842 0.1875934), wk = 0.0020877 k( 351) = ( 0.3095238 0.5361110 0.1875934), wk = 0.0020877 k( 352) = ( 0.3055556 0.5292378 0.1875934), wk = 0.0020877 k( 353) = ( 0.3015873 0.5223645 0.1875934), wk = 0.0020877 k( 354) = ( 0.2976190 0.5154913 0.1875934), wk = 0.0020877 k( 355) = ( 0.2936508 0.5086181 0.1875934), wk = 0.0020877 k( 356) = ( 0.2896825 0.5017449 0.1875934), wk = 0.0020877 k( 357) = ( 0.2857143 0.4948717 0.1875934), wk = 0.0020877 k( 358) = ( 0.2817460 0.4879984 0.1875934), wk = 0.0020877 k( 359) = ( 0.2777778 0.4811252 0.1875934), wk = 0.0020877 k( 360) = ( 0.2738095 0.4742520 0.1875934), wk = 0.0020877 k( 361) = ( 0.2698413 0.4673788 0.1875934), wk = 0.0020877 k( 362) = ( 0.2658730 0.4605056 0.1875934), wk = 0.0020877 k( 363) = ( 0.2619048 0.4536324 0.1875934), wk = 0.0020877 k( 364) = ( 0.2579365 0.4467591 0.1875934), wk = 0.0020877 k( 365) = ( 0.2539683 0.4398859 0.1875934), wk = 0.0020877 k( 366) = ( 0.2500000 0.4330127 0.1875934), wk = 0.0020877 k( 367) = ( 0.2460317 0.4261395 0.1875934), wk = 0.0020877 k( 368) = ( 0.2420635 0.4192663 0.1875934), wk = 0.0020877 k( 369) = ( 0.2380952 0.4123931 0.1875934), wk = 0.0020877 k( 370) = ( 0.2341270 0.4055198 0.1875934), wk = 0.0020877 k( 371) = ( 0.2301587 0.3986466 0.1875934), wk = 0.0020877 k( 372) = ( 0.2261905 0.3917734 0.1875934), wk = 0.0020877 k( 373) = ( 0.2222222 0.3849002 0.1875934), wk = 0.0020877 k( 374) = ( 0.2182540 0.3780270 0.1875934), wk = 0.0020877 k( 375) = ( 0.2142857 0.3711537 0.1875934), wk = 0.0020877 k( 376) = ( 0.2103175 0.3642805 0.1875934), wk = 0.0020877 k( 377) = ( 0.2063492 0.3574073 0.1875934), wk = 0.0020877 k( 378) = ( 0.2023810 0.3505341 0.1875934), wk = 0.0020877 k( 379) = ( 0.1984127 0.3436609 0.1875934), wk = 0.0020877 k( 380) = ( 0.1944444 0.3367876 0.1875934), wk = 0.0020877 k( 381) = ( 0.1904762 0.3299144 0.1875934), wk = 0.0020877 k( 382) = ( 0.1865079 0.3230412 0.1875934), wk = 0.0020877 k( 383) = ( 0.1825397 0.3161680 0.1875934), wk = 0.0020877 k( 384) = ( 0.1785714 0.3092948 0.1875934), wk = 0.0020877 k( 385) = ( 0.1746032 0.3024216 0.1875934), wk = 0.0020877 k( 386) = ( 0.1706349 0.2955484 0.1875934), wk = 0.0020877 k( 387) = ( 0.1666667 0.2886751 0.1875934), wk = 0.0020877 k( 388) = ( 0.1626984 0.2818019 0.1875934), wk = 0.0020877 k( 389) = ( 0.1587302 0.2749287 0.1875934), wk = 0.0020877 k( 390) = ( 0.1547619 0.2680555 0.1875934), wk = 0.0020877 k( 391) = ( 0.1507937 0.2611823 0.1875934), wk = 0.0020877 k( 392) = ( 0.1468254 0.2543091 0.1875934), wk = 0.0020877 k( 393) = ( 0.1428571 0.2474358 0.1875934), wk = 0.0020877 k( 394) = ( 0.1388889 0.2405626 0.1875934), wk = 0.0020877 k( 395) = ( 0.1349206 0.2336894 0.1875934), wk = 0.0020877 k( 396) = ( 0.1309524 0.2268162 0.1875934), wk = 0.0020877 k( 397) = ( 0.1269841 0.2199430 0.1875934), wk = 0.0020877 k( 398) = ( 0.1230159 0.2130697 0.1875934), wk = 0.0020877 k( 399) = ( 0.1190476 0.2061965 0.1875934), wk = 0.0020877 k( 400) = ( 0.1150794 0.1993233 0.1875934), wk = 0.0020877 k( 401) = ( 0.1111111 0.1924501 0.1875934), wk = 0.0020877 k( 402) = ( 0.1071429 0.1855769 0.1875934), wk = 0.0020877 k( 403) = ( 0.1031746 0.1787036 0.1875934), wk = 0.0020877 k( 404) = ( 0.0992063 0.1718304 0.1875934), wk = 0.0020877 k( 405) = ( 0.0952381 0.1649572 0.1875934), wk = 0.0020877 k( 406) = ( 0.0912698 0.1580840 0.1875934), wk = 0.0020877 k( 407) = ( 0.0873016 0.1512108 0.1875934), wk = 0.0020877 k( 408) = ( 0.0833333 0.1443376 0.1875934), wk = 0.0020877 k( 409) = ( 0.0793651 0.1374644 0.1875934), wk = 0.0020877 k( 410) = ( 0.0753968 0.1305911 0.1875934), wk = 0.0020877 k( 411) = ( 0.0714286 0.1237179 0.1875934), wk = 0.0020877 k( 412) = ( 0.0674603 0.1168447 0.1875934), wk = 0.0020877 k( 413) = ( 0.0634921 0.1099715 0.1875934), wk = 0.0020877 k( 414) = ( 0.0595238 0.1030983 0.1875934), wk = 0.0020877 k( 415) = ( 0.0555556 0.0962251 0.1875934), wk = 0.0020877 k( 416) = ( 0.0515873 0.0893518 0.1875934), wk = 0.0020877 k( 417) = ( 0.0476191 0.0824786 0.1875934), wk = 0.0020877 k( 418) = ( 0.0436508 0.0756054 0.1875934), wk = 0.0020877 k( 419) = ( 0.0396825 0.0687322 0.1875934), wk = 0.0020877 k( 420) = ( 0.0357143 0.0618590 0.1875934), wk = 0.0020877 k( 421) = ( 0.0317460 0.0549857 0.1875934), wk = 0.0020877 k( 422) = ( 0.0277778 0.0481125 0.1875934), wk = 0.0020877 k( 423) = ( 0.0238095 0.0412393 0.1875934), wk = 0.0020877 k( 424) = ( 0.0198413 0.0343661 0.1875934), wk = 0.0020877 k( 425) = ( 0.0158730 0.0274929 0.1875934), wk = 0.0020877 k( 426) = ( 0.0119048 0.0206196 0.1875934), wk = 0.0020877 k( 427) = ( 0.0079365 0.0137464 0.1875934), wk = 0.0020877 k( 428) = ( 0.0039683 0.0068732 0.1875934), wk = 0.0020877 k( 429) = ( 0.0000000 0.0000000 0.1875934), wk = 0.0020877 k( 430) = ( 0.5000000 0.2886751 0.1875934), wk = 0.0020877 k( 431) = ( 0.5000000 0.2886751 0.1797770), wk = 0.0020877 k( 432) = ( 0.5000000 0.2886751 0.1719606), wk = 0.0020877 k( 433) = ( 0.5000000 0.2886751 0.1641442), wk = 0.0020877 k( 434) = ( 0.5000000 0.2886751 0.1563279), wk = 0.0020877 k( 435) = ( 0.5000000 0.2886751 0.1485115), wk = 0.0020877 k( 436) = ( 0.5000000 0.2886751 0.1406951), wk = 0.0020877 k( 437) = ( 0.5000000 0.2886751 0.1328787), wk = 0.0020877 k( 438) = ( 0.5000000 0.2886751 0.1250623), wk = 0.0020877 k( 439) = ( 0.5000000 0.2886751 0.1172459), wk = 0.0020877 k( 440) = ( 0.5000000 0.2886751 0.1094295), wk = 0.0020877 k( 441) = ( 0.5000000 0.2886751 0.1016131), wk = 0.0020877 k( 442) = ( 0.5000000 0.2886751 0.0937967), wk = 0.0020877 k( 443) = ( 0.5000000 0.2886751 0.0859803), wk = 0.0020877 k( 444) = ( 0.5000000 0.2886751 0.0781639), wk = 0.0020877 k( 445) = ( 0.5000000 0.2886751 0.0703475), wk = 0.0020877 k( 446) = ( 0.5000000 0.2886751 0.0625311), wk = 0.0020877 k( 447) = ( 0.5000000 0.2886751 0.0547147), wk = 0.0020877 k( 448) = ( 0.5000000 0.2886751 0.0468984), wk = 0.0020877 k( 449) = ( 0.5000000 0.2886751 0.0390820), wk = 0.0020877 k( 450) = ( 0.5000000 0.2886751 0.0312656), wk = 0.0020877 k( 451) = ( 0.5000000 0.2886751 0.0234492), wk = 0.0020877 k( 452) = ( 0.5000000 0.2886751 0.0156328), wk = 0.0020877 k( 453) = ( 0.5000000 0.2886751 0.0078164), wk = 0.0020877 k( 454) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0020877 k( 455) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0020877 k( 456) = ( 0.3333333 0.5773503 0.0078164), wk = 0.0020877 k( 457) = ( 0.3333333 0.5773503 0.0156328), wk = 0.0020877 k( 458) = ( 0.3333333 0.5773503 0.0234492), wk = 0.0020877 k( 459) = ( 0.3333333 0.5773503 0.0312656), wk = 0.0020877 k( 460) = ( 0.3333333 0.5773503 0.0390820), wk = 0.0020877 k( 461) = ( 0.3333333 0.5773503 0.0468984), wk = 0.0020877 k( 462) = ( 0.3333333 0.5773503 0.0547147), wk = 0.0020877 k( 463) = ( 0.3333333 0.5773503 0.0625311), wk = 0.0020877 k( 464) = ( 0.3333333 0.5773503 0.0703475), wk = 0.0020877 k( 465) = ( 0.3333333 0.5773503 0.0781639), wk = 0.0020877 k( 466) = ( 0.3333333 0.5773503 0.0859803), wk = 0.0020877 k( 467) = ( 0.3333333 0.5773503 0.0937967), wk = 0.0020877 k( 468) = ( 0.3333333 0.5773503 0.1016131), wk = 0.0020877 k( 469) = ( 0.3333333 0.5773503 0.1094295), wk = 0.0020877 k( 470) = ( 0.3333333 0.5773503 0.1172459), wk = 0.0020877 k( 471) = ( 0.3333333 0.5773503 0.1250623), wk = 0.0020877 k( 472) = ( 0.3333333 0.5773503 0.1328787), wk = 0.0020877 k( 473) = ( 0.3333333 0.5773503 0.1406951), wk = 0.0020877 k( 474) = ( 0.3333333 0.5773503 0.1485115), wk = 0.0020877 k( 475) = ( 0.3333333 0.5773503 0.1563279), wk = 0.0020877 k( 476) = ( 0.3333333 0.5773503 0.1641442), wk = 0.0020877 k( 477) = ( 0.3333333 0.5773503 0.1719606), wk = 0.0020877 k( 478) = ( 0.3333333 0.5773503 0.1797770), wk = 0.0020877 k( 479) = ( 0.3333333 0.5773503 0.1875934), wk = 0.0020877 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020877 k( 2) = ( 0.0068493 0.0000000 0.0000000), wk = 0.0020877 k( 3) = ( 0.0136986 0.0000000 0.0000000), wk = 0.0020877 k( 4) = ( 0.0205479 0.0000000 0.0000000), wk = 0.0020877 k( 5) = ( 0.0273973 0.0000000 0.0000000), wk = 0.0020877 k( 6) = ( 0.0342466 -0.0000000 0.0000000), wk = 0.0020877 k( 7) = ( 0.0410959 0.0000000 0.0000000), wk = 0.0020877 k( 8) = ( 0.0479452 0.0000000 -0.0000000), wk = 0.0020877 k( 9) = ( 0.0547945 0.0000000 0.0000000), wk = 0.0020877 k( 10) = ( 0.0616438 0.0000000 0.0000000), wk = 0.0020877 k( 11) = ( 0.0684932 -0.0000000 0.0000000), wk = 0.0020877 k( 12) = ( 0.0753425 0.0000000 -0.0000000), wk = 0.0020877 k( 13) = ( 0.0821918 0.0000000 0.0000000), wk = 0.0020877 k( 14) = ( 0.0890411 0.0000000 0.0000000), wk = 0.0020877 k( 15) = ( 0.0958904 0.0000000 -0.0000000), wk = 0.0020877 k( 16) = ( 0.1027397 0.0000000 0.0000000), wk = 0.0020877 k( 17) = ( 0.1095890 0.0000000 0.0000000), wk = 0.0020877 k( 18) = ( 0.1164384 0.0000000 0.0000000), wk = 0.0020877 k( 19) = ( 0.1232877 0.0000000 0.0000000), wk = 0.0020877 k( 20) = ( 0.1301370 -0.0000000 -0.0000000), wk = 0.0020877 k( 21) = ( 0.1369863 -0.0000000 0.0000000), wk = 0.0020877 k( 22) = ( 0.1438356 0.0000000 -0.0000000), wk = 0.0020877 k( 23) = ( 0.1506849 0.0000000 0.0000000), wk = 0.0020877 k( 24) = ( 0.1575342 0.0000000 0.0000000), wk = 0.0020877 k( 25) = ( 0.1643836 0.0000000 0.0000000), wk = 0.0020877 k( 26) = ( 0.1712329 -0.0000000 0.0000000), wk = 0.0020877 k( 27) = ( 0.1780822 0.0000000 0.0000000), wk = 0.0020877 k( 28) = ( 0.1849315 0.0000000 0.0000000), wk = 0.0020877 k( 29) = ( 0.1917808 0.0000000 -0.0000000), wk = 0.0020877 k( 30) = ( 0.1986301 0.0000000 0.0000000), wk = 0.0020877 k( 31) = ( 0.2054795 0.0000000 0.0000000), wk = 0.0020877 k( 32) = ( 0.2123288 -0.0000000 0.0000000), wk = 0.0020877 k( 33) = ( 0.2191781 0.0000000 0.0000000), wk = 0.0020877 k( 34) = ( 0.2260274 0.0000000 0.0000000), wk = 0.0020877 k( 35) = ( 0.2328767 0.0000000 0.0000000), wk = 0.0020877 k( 36) = ( 0.2397260 0.0000000 0.0000000), wk = 0.0020877 k( 37) = ( 0.2465753 0.0000000 0.0000000), wk = 0.0020877 k( 38) = ( 0.2534247 0.0000000 0.0000000), wk = 0.0020877 k( 39) = ( 0.2602740 -0.0000000 0.0000000), wk = 0.0020877 k( 40) = ( 0.2671233 0.0000000 0.0000000), wk = 0.0020877 k( 41) = ( 0.2739726 -0.0000000 0.0000000), wk = 0.0020877 k( 42) = ( 0.2808219 -0.0000000 -0.0000000), wk = 0.0020877 k( 43) = ( 0.2876712 0.0000000 0.0000000), wk = 0.0020877 k( 44) = ( 0.2945205 0.0000000 -0.0000000), wk = 0.0020877 k( 45) = ( 0.3013699 0.0000000 0.0000000), wk = 0.0020877 k( 46) = ( 0.3082192 0.0000000 0.0000000), wk = 0.0020877 k( 47) = ( 0.3150685 0.0000000 0.0000000), wk = 0.0020877 k( 48) = ( 0.3219178 0.0000000 0.0000000), wk = 0.0020877 k( 49) = ( 0.3287671 0.0000000 0.0000000), wk = 0.0020877 k( 50) = ( 0.3356164 -0.0000000 0.0000000), wk = 0.0020877 k( 51) = ( 0.3424658 -0.0000000 -0.0000000), wk = 0.0020877 k( 52) = ( 0.3493151 -0.0000000 -0.0000000), wk = 0.0020877 k( 53) = ( 0.3561644 0.0000000 0.0000000), wk = 0.0020877 k( 54) = ( 0.3630137 0.0000000 0.0000000), wk = 0.0020877 k( 55) = ( 0.3698630 0.0000000 0.0000000), wk = 0.0020877 k( 56) = ( 0.3767123 0.0000000 0.0000000), wk = 0.0020877 k( 57) = ( 0.3835616 0.0000000 -0.0000000), wk = 0.0020877 k( 58) = ( 0.3904110 0.0000000 -0.0000000), wk = 0.0020877 k( 59) = ( 0.3972603 0.0000000 0.0000000), wk = 0.0020877 k( 60) = ( 0.4041096 0.0000000 0.0000000), wk = 0.0020877 k( 61) = ( 0.4109589 0.0000000 0.0000000), wk = 0.0020877 k( 62) = ( 0.4178082 0.0000000 0.0000000), wk = 0.0020877 k( 63) = ( 0.4246575 0.0000000 0.0000000), wk = 0.0020877 k( 64) = ( 0.4315068 0.0000000 -0.0000000), wk = 0.0020877 k( 65) = ( 0.4383562 0.0000000 0.0000000), wk = 0.0020877 k( 66) = ( 0.4452055 0.0000000 0.0000000), wk = 0.0020877 k( 67) = ( 0.4520548 -0.0000000 -0.0000000), wk = 0.0020877 k( 68) = ( 0.4589041 -0.0000000 0.0000000), wk = 0.0020877 k( 69) = ( 0.4657534 0.0000000 0.0000000), wk = 0.0020877 k( 70) = ( 0.4726027 0.0000000 0.0000000), wk = 0.0020877 k( 71) = ( 0.4794521 0.0000000 0.0000000), wk = 0.0020877 k( 72) = ( 0.4863014 0.0000000 0.0000000), wk = 0.0020877 k( 73) = ( 0.4931507 0.0000000 0.0000000), wk = 0.0020877 k( 74) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0020877 k( 75) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0020877 k( 76) = ( 0.4960317 0.0079365 0.0000000), wk = 0.0020877 k( 77) = ( 0.4920635 0.0158730 0.0000000), wk = 0.0020877 k( 78) = ( 0.4880952 0.0238095 0.0000000), wk = 0.0020877 k( 79) = ( 0.4841270 0.0317460 0.0000000), wk = 0.0020877 k( 80) = ( 0.4801587 0.0396825 0.0000000), wk = 0.0020877 k( 81) = ( 0.4761905 0.0476191 -0.0000000), wk = 0.0020877 k( 82) = ( 0.4722222 0.0555556 0.0000000), wk = 0.0020877 k( 83) = ( 0.4682540 0.0634921 0.0000000), wk = 0.0020877 k( 84) = ( 0.4642857 0.0714286 0.0000000), wk = 0.0020877 k( 85) = ( 0.4603175 0.0793651 -0.0000000), wk = 0.0020877 k( 86) = ( 0.4563492 0.0873016 0.0000000), wk = 0.0020877 k( 87) = ( 0.4523810 0.0952381 -0.0000000), wk = 0.0020877 k( 88) = ( 0.4484127 0.1031746 -0.0000000), wk = 0.0020877 k( 89) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0020877 k( 90) = ( 0.4404762 0.1190476 0.0000000), wk = 0.0020877 k( 91) = ( 0.4365079 0.1269841 -0.0000000), wk = 0.0020877 k( 92) = ( 0.4325397 0.1349206 -0.0000000), wk = 0.0020877 k( 93) = ( 0.4285714 0.1428571 0.0000000), wk = 0.0020877 k( 94) = ( 0.4246032 0.1507937 0.0000000), wk = 0.0020877 k( 95) = ( 0.4206349 0.1587302 -0.0000000), wk = 0.0020877 k( 96) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0020877 k( 97) = ( 0.4126984 0.1746032 0.0000000), wk = 0.0020877 k( 98) = ( 0.4087302 0.1825397 -0.0000000), wk = 0.0020877 k( 99) = ( 0.4047619 0.1904762 -0.0000000), wk = 0.0020877 k( 100) = ( 0.4007937 0.1984127 -0.0000000), wk = 0.0020877 k( 101) = ( 0.3968254 0.2063492 0.0000000), wk = 0.0020877 k( 102) = ( 0.3928571 0.2142857 -0.0000000), wk = 0.0020877 k( 103) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0020877 k( 104) = ( 0.3849206 0.2301587 0.0000000), wk = 0.0020877 k( 105) = ( 0.3809524 0.2380952 0.0000000), wk = 0.0020877 k( 106) = ( 0.3769841 0.2460318 0.0000000), wk = 0.0020877 k( 107) = ( 0.3730159 0.2539683 -0.0000000), wk = 0.0020877 k( 108) = ( 0.3690476 0.2619048 -0.0000000), wk = 0.0020877 k( 109) = ( 0.3650794 0.2698413 0.0000000), wk = 0.0020877 k( 110) = ( 0.3611111 0.2777778 0.0000000), wk = 0.0020877 k( 111) = ( 0.3571429 0.2857143 0.0000000), wk = 0.0020877 k( 112) = ( 0.3531746 0.2936508 -0.0000000), wk = 0.0020877 k( 113) = ( 0.3492063 0.3015873 0.0000000), wk = 0.0020877 k( 114) = ( 0.3452381 0.3095238 0.0000000), wk = 0.0020877 k( 115) = ( 0.3412698 0.3174603 0.0000000), wk = 0.0020877 k( 116) = ( 0.3373016 0.3253968 0.0000000), wk = 0.0020877 k( 117) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0020877 k( 118) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0020877 k( 119) = ( 0.3293651 0.3293651 0.0000000), wk = 0.0020877 k( 120) = ( 0.3253968 0.3253968 0.0000000), wk = 0.0020877 k( 121) = ( 0.3214286 0.3214286 0.0000000), wk = 0.0020877 k( 122) = ( 0.3174603 0.3174603 0.0000000), wk = 0.0020877 k( 123) = ( 0.3134921 0.3134921 0.0000000), wk = 0.0020877 k( 124) = ( 0.3095238 0.3095238 0.0000000), wk = 0.0020877 k( 125) = ( 0.3055556 0.3055556 0.0000000), wk = 0.0020877 k( 126) = ( 0.3015873 0.3015873 -0.0000000), wk = 0.0020877 k( 127) = ( 0.2976190 0.2976191 -0.0000000), wk = 0.0020877 k( 128) = ( 0.2936508 0.2936508 0.0000000), wk = 0.0020877 k( 129) = ( 0.2896825 0.2896825 0.0000000), wk = 0.0020877 k( 130) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0020877 k( 131) = ( 0.2817460 0.2817460 0.0000000), wk = 0.0020877 k( 132) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0020877 k( 133) = ( 0.2738095 0.2738095 0.0000000), wk = 0.0020877 k( 134) = ( 0.2698413 0.2698413 0.0000000), wk = 0.0020877 k( 135) = ( 0.2658730 0.2658730 0.0000000), wk = 0.0020877 k( 136) = ( 0.2619048 0.2619048 -0.0000000), wk = 0.0020877 k( 137) = ( 0.2579365 0.2579365 0.0000000), wk = 0.0020877 k( 138) = ( 0.2539683 0.2539683 0.0000000), wk = 0.0020877 k( 139) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0020877 k( 140) = ( 0.2460317 0.2460318 0.0000000), wk = 0.0020877 k( 141) = ( 0.2420635 0.2420635 0.0000000), wk = 0.0020877 k( 142) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0020877 k( 143) = ( 0.2341270 0.2341270 0.0000000), wk = 0.0020877 k( 144) = ( 0.2301587 0.2301587 0.0000000), wk = 0.0020877 k( 145) = ( 0.2261905 0.2261905 0.0000000), wk = 0.0020877 k( 146) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0020877 k( 147) = ( 0.2182540 0.2182540 0.0000000), wk = 0.0020877 k( 148) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0020877 k( 149) = ( 0.2103175 0.2103175 -0.0000000), wk = 0.0020877 k( 150) = ( 0.2063492 0.2063492 -0.0000000), wk = 0.0020877 k( 151) = ( 0.2023810 0.2023810 0.0000000), wk = 0.0020877 k( 152) = ( 0.1984127 0.1984127 0.0000000), wk = 0.0020877 k( 153) = ( 0.1944444 0.1944444 0.0000000), wk = 0.0020877 k( 154) = ( 0.1904762 0.1904762 0.0000000), wk = 0.0020877 k( 155) = ( 0.1865079 0.1865079 0.0000000), wk = 0.0020877 k( 156) = ( 0.1825397 0.1825397 -0.0000000), wk = 0.0020877 k( 157) = ( 0.1785714 0.1785714 0.0000000), wk = 0.0020877 k( 158) = ( 0.1746032 0.1746032 0.0000000), wk = 0.0020877 k( 159) = ( 0.1706349 0.1706349 0.0000000), wk = 0.0020877 k( 160) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0020877 k( 161) = ( 0.1626984 0.1626984 0.0000000), wk = 0.0020877 k( 162) = ( 0.1587302 0.1587302 0.0000000), wk = 0.0020877 k( 163) = ( 0.1547619 0.1547619 -0.0000000), wk = 0.0020877 k( 164) = ( 0.1507937 0.1507937 -0.0000000), wk = 0.0020877 k( 165) = ( 0.1468254 0.1468254 0.0000000), wk = 0.0020877 k( 166) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0020877 k( 167) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0020877 k( 168) = ( 0.1349206 0.1349206 0.0000000), wk = 0.0020877 k( 169) = ( 0.1309524 0.1309524 -0.0000000), wk = 0.0020877 k( 170) = ( 0.1269841 0.1269841 0.0000000), wk = 0.0020877 k( 171) = ( 0.1230159 0.1230159 -0.0000000), wk = 0.0020877 k( 172) = ( 0.1190476 0.1190476 0.0000000), wk = 0.0020877 k( 173) = ( 0.1150794 0.1150794 0.0000000), wk = 0.0020877 k( 174) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0020877 k( 175) = ( 0.1071429 0.1071429 0.0000000), wk = 0.0020877 k( 176) = ( 0.1031746 0.1031746 0.0000000), wk = 0.0020877 k( 177) = ( 0.0992063 0.0992064 0.0000000), wk = 0.0020877 k( 178) = ( 0.0952381 0.0952381 0.0000000), wk = 0.0020877 k( 179) = ( 0.0912698 0.0912698 -0.0000000), wk = 0.0020877 k( 180) = ( 0.0873016 0.0873016 0.0000000), wk = 0.0020877 k( 181) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0020877 k( 182) = ( 0.0793651 0.0793651 0.0000000), wk = 0.0020877 k( 183) = ( 0.0753968 0.0753968 0.0000000), wk = 0.0020877 k( 184) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0020877 k( 185) = ( 0.0674603 0.0674603 0.0000000), wk = 0.0020877 k( 186) = ( 0.0634921 0.0634921 0.0000000), wk = 0.0020877 k( 187) = ( 0.0595238 0.0595238 0.0000000), wk = 0.0020877 k( 188) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0020877 k( 189) = ( 0.0515873 0.0515873 0.0000000), wk = 0.0020877 k( 190) = ( 0.0476191 0.0476191 0.0000000), wk = 0.0020877 k( 191) = ( 0.0436508 0.0436508 -0.0000000), wk = 0.0020877 k( 192) = ( 0.0396825 0.0396825 0.0000000), wk = 0.0020877 k( 193) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0020877 k( 194) = ( 0.0317460 0.0317460 0.0000000), wk = 0.0020877 k( 195) = ( 0.0277778 0.0277778 0.0000000), wk = 0.0020877 k( 196) = ( 0.0238095 0.0238095 -0.0000000), wk = 0.0020877 k( 197) = ( 0.0198413 0.0198413 0.0000000), wk = 0.0020877 k( 198) = ( 0.0158730 0.0158730 0.0000000), wk = 0.0020877 k( 199) = ( 0.0119048 0.0119048 -0.0000000), wk = 0.0020877 k( 200) = ( 0.0079365 0.0079365 0.0000000), wk = 0.0020877 k( 201) = ( 0.0039683 0.0039683 0.0000000), wk = 0.0020877 k( 202) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020877 k( 203) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020877 k( 204) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0020877 k( 205) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0020877 k( 206) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0020877 k( 207) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0020877 k( 208) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0020877 k( 209) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0020877 k( 210) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0020877 k( 211) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0020877 k( 212) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0020877 k( 213) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0020877 k( 214) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0020877 k( 215) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0020877 k( 216) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0020877 k( 217) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0020877 k( 218) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0020877 k( 219) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0020877 k( 220) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0020877 k( 221) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0020877 k( 222) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0020877 k( 223) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0020877 k( 224) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0020877 k( 225) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0020877 k( 226) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0020877 k( 227) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020877 k( 228) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020877 k( 229) = ( 0.0068493 0.0000000 0.5000000), wk = 0.0020877 k( 230) = ( 0.0136986 0.0000000 0.5000000), wk = 0.0020877 k( 231) = ( 0.0205479 0.0000000 0.5000000), wk = 0.0020877 k( 232) = ( 0.0273973 0.0000000 0.5000000), wk = 0.0020877 k( 233) = ( 0.0342466 -0.0000000 0.5000000), wk = 0.0020877 k( 234) = ( 0.0410959 0.0000000 0.5000000), wk = 0.0020877 k( 235) = ( 0.0479452 0.0000000 0.5000000), wk = 0.0020877 k( 236) = ( 0.0547945 0.0000000 0.5000000), wk = 0.0020877 k( 237) = ( 0.0616438 0.0000000 0.5000000), wk = 0.0020877 k( 238) = ( 0.0684932 -0.0000000 0.5000000), wk = 0.0020877 k( 239) = ( 0.0753425 0.0000000 0.5000000), wk = 0.0020877 k( 240) = ( 0.0821918 0.0000000 0.5000000), wk = 0.0020877 k( 241) = ( 0.0890411 0.0000000 0.5000000), wk = 0.0020877 k( 242) = ( 0.0958904 0.0000000 0.5000000), wk = 0.0020877 k( 243) = ( 0.1027397 0.0000000 0.5000000), wk = 0.0020877 k( 244) = ( 0.1095890 0.0000000 0.5000000), wk = 0.0020877 k( 245) = ( 0.1164384 0.0000000 0.5000000), wk = 0.0020877 k( 246) = ( 0.1232877 0.0000000 0.5000000), wk = 0.0020877 k( 247) = ( 0.1301370 -0.0000000 0.5000000), wk = 0.0020877 k( 248) = ( 0.1369863 -0.0000000 0.5000000), wk = 0.0020877 k( 249) = ( 0.1438356 0.0000000 0.5000000), wk = 0.0020877 k( 250) = ( 0.1506849 0.0000000 0.5000000), wk = 0.0020877 k( 251) = ( 0.1575342 0.0000000 0.5000000), wk = 0.0020877 k( 252) = ( 0.1643836 0.0000000 0.5000000), wk = 0.0020877 k( 253) = ( 0.1712329 -0.0000000 0.5000000), wk = 0.0020877 k( 254) = ( 0.1780822 0.0000000 0.5000000), wk = 0.0020877 k( 255) = ( 0.1849315 0.0000000 0.5000000), wk = 0.0020877 k( 256) = ( 0.1917808 0.0000000 0.5000000), wk = 0.0020877 k( 257) = ( 0.1986301 0.0000000 0.5000000), wk = 0.0020877 k( 258) = ( 0.2054795 0.0000000 0.5000000), wk = 0.0020877 k( 259) = ( 0.2123288 -0.0000000 0.5000000), wk = 0.0020877 k( 260) = ( 0.2191781 0.0000000 0.5000000), wk = 0.0020877 k( 261) = ( 0.2260274 0.0000000 0.5000000), wk = 0.0020877 k( 262) = ( 0.2328767 0.0000000 0.5000000), wk = 0.0020877 k( 263) = ( 0.2397260 0.0000000 0.5000000), wk = 0.0020877 k( 264) = ( 0.2465753 0.0000000 0.5000000), wk = 0.0020877 k( 265) = ( 0.2534247 0.0000000 0.5000000), wk = 0.0020877 k( 266) = ( 0.2602740 -0.0000000 0.5000000), wk = 0.0020877 k( 267) = ( 0.2671233 0.0000000 0.5000000), wk = 0.0020877 k( 268) = ( 0.2739726 -0.0000000 0.5000000), wk = 0.0020877 k( 269) = ( 0.2808219 -0.0000000 0.5000000), wk = 0.0020877 k( 270) = ( 0.2876712 0.0000000 0.5000000), wk = 0.0020877 k( 271) = ( 0.2945205 0.0000000 0.5000000), wk = 0.0020877 k( 272) = ( 0.3013699 0.0000000 0.5000000), wk = 0.0020877 k( 273) = ( 0.3082192 0.0000000 0.5000000), wk = 0.0020877 k( 274) = ( 0.3150685 0.0000000 0.5000000), wk = 0.0020877 k( 275) = ( 0.3219178 0.0000000 0.5000000), wk = 0.0020877 k( 276) = ( 0.3287671 0.0000000 0.5000000), wk = 0.0020877 k( 277) = ( 0.3356164 -0.0000000 0.5000000), wk = 0.0020877 k( 278) = ( 0.3424658 -0.0000000 0.5000000), wk = 0.0020877 k( 279) = ( 0.3493151 -0.0000000 0.5000000), wk = 0.0020877 k( 280) = ( 0.3561644 0.0000000 0.5000000), wk = 0.0020877 k( 281) = ( 0.3630137 0.0000000 0.5000000), wk = 0.0020877 k( 282) = ( 0.3698630 0.0000000 0.5000000), wk = 0.0020877 k( 283) = ( 0.3767123 0.0000000 0.5000000), wk = 0.0020877 k( 284) = ( 0.3835616 0.0000000 0.5000000), wk = 0.0020877 k( 285) = ( 0.3904110 0.0000000 0.5000000), wk = 0.0020877 k( 286) = ( 0.3972603 0.0000000 0.5000000), wk = 0.0020877 k( 287) = ( 0.4041096 0.0000000 0.5000000), wk = 0.0020877 k( 288) = ( 0.4109589 0.0000000 0.5000000), wk = 0.0020877 k( 289) = ( 0.4178082 0.0000000 0.5000000), wk = 0.0020877 k( 290) = ( 0.4246575 0.0000000 0.5000000), wk = 0.0020877 k( 291) = ( 0.4315068 0.0000000 0.5000000), wk = 0.0020877 k( 292) = ( 0.4383562 0.0000000 0.5000000), wk = 0.0020877 k( 293) = ( 0.4452055 0.0000000 0.5000000), wk = 0.0020877 k( 294) = ( 0.4520548 -0.0000000 0.5000000), wk = 0.0020877 k( 295) = ( 0.4589041 -0.0000000 0.5000000), wk = 0.0020877 k( 296) = ( 0.4657534 0.0000000 0.5000000), wk = 0.0020877 k( 297) = ( 0.4726027 0.0000000 0.5000000), wk = 0.0020877 k( 298) = ( 0.4794521 0.0000000 0.5000000), wk = 0.0020877 k( 299) = ( 0.4863014 0.0000000 0.5000000), wk = 0.0020877 k( 300) = ( 0.4931507 0.0000000 0.5000000), wk = 0.0020877 k( 301) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020877 k( 302) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020877 k( 303) = ( 0.4960317 0.0079365 0.5000000), wk = 0.0020877 k( 304) = ( 0.4920635 0.0158730 0.5000000), wk = 0.0020877 k( 305) = ( 0.4880952 0.0238095 0.5000000), wk = 0.0020877 k( 306) = ( 0.4841270 0.0317460 0.5000000), wk = 0.0020877 k( 307) = ( 0.4801587 0.0396825 0.5000000), wk = 0.0020877 k( 308) = ( 0.4761905 0.0476191 0.5000000), wk = 0.0020877 k( 309) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0020877 k( 310) = ( 0.4682540 0.0634921 0.5000000), wk = 0.0020877 k( 311) = ( 0.4642857 0.0714286 0.5000000), wk = 0.0020877 k( 312) = ( 0.4603175 0.0793651 0.5000000), wk = 0.0020877 k( 313) = ( 0.4563492 0.0873016 0.5000000), wk = 0.0020877 k( 314) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0020877 k( 315) = ( 0.4484127 0.1031746 0.5000000), wk = 0.0020877 k( 316) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0020877 k( 317) = ( 0.4404762 0.1190476 0.5000000), wk = 0.0020877 k( 318) = ( 0.4365079 0.1269841 0.5000000), wk = 0.0020877 k( 319) = ( 0.4325397 0.1349206 0.5000000), wk = 0.0020877 k( 320) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0020877 k( 321) = ( 0.4246032 0.1507937 0.5000000), wk = 0.0020877 k( 322) = ( 0.4206349 0.1587302 0.5000000), wk = 0.0020877 k( 323) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0020877 k( 324) = ( 0.4126984 0.1746032 0.5000000), wk = 0.0020877 k( 325) = ( 0.4087302 0.1825397 0.5000000), wk = 0.0020877 k( 326) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0020877 k( 327) = ( 0.4007937 0.1984127 0.5000000), wk = 0.0020877 k( 328) = ( 0.3968254 0.2063492 0.5000000), wk = 0.0020877 k( 329) = ( 0.3928571 0.2142857 0.5000000), wk = 0.0020877 k( 330) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0020877 k( 331) = ( 0.3849206 0.2301587 0.5000000), wk = 0.0020877 k( 332) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0020877 k( 333) = ( 0.3769841 0.2460318 0.5000000), wk = 0.0020877 k( 334) = ( 0.3730159 0.2539683 0.5000000), wk = 0.0020877 k( 335) = ( 0.3690476 0.2619048 0.5000000), wk = 0.0020877 k( 336) = ( 0.3650794 0.2698413 0.5000000), wk = 0.0020877 k( 337) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0020877 k( 338) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0020877 k( 339) = ( 0.3531746 0.2936508 0.5000000), wk = 0.0020877 k( 340) = ( 0.3492063 0.3015873 0.5000000), wk = 0.0020877 k( 341) = ( 0.3452381 0.3095238 0.5000000), wk = 0.0020877 k( 342) = ( 0.3412698 0.3174603 0.5000000), wk = 0.0020877 k( 343) = ( 0.3373016 0.3253968 0.5000000), wk = 0.0020877 k( 344) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0020877 k( 345) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0020877 k( 346) = ( 0.3293651 0.3293651 0.5000000), wk = 0.0020877 k( 347) = ( 0.3253968 0.3253968 0.5000000), wk = 0.0020877 k( 348) = ( 0.3214286 0.3214286 0.5000000), wk = 0.0020877 k( 349) = ( 0.3174603 0.3174603 0.5000000), wk = 0.0020877 k( 350) = ( 0.3134921 0.3134921 0.5000000), wk = 0.0020877 k( 351) = ( 0.3095238 0.3095238 0.5000000), wk = 0.0020877 k( 352) = ( 0.3055556 0.3055556 0.5000000), wk = 0.0020877 k( 353) = ( 0.3015873 0.3015873 0.5000000), wk = 0.0020877 k( 354) = ( 0.2976190 0.2976191 0.5000000), wk = 0.0020877 k( 355) = ( 0.2936508 0.2936508 0.5000000), wk = 0.0020877 k( 356) = ( 0.2896825 0.2896825 0.5000000), wk = 0.0020877 k( 357) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0020877 k( 358) = ( 0.2817460 0.2817460 0.5000000), wk = 0.0020877 k( 359) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0020877 k( 360) = ( 0.2738095 0.2738095 0.5000000), wk = 0.0020877 k( 361) = ( 0.2698413 0.2698413 0.5000000), wk = 0.0020877 k( 362) = ( 0.2658730 0.2658730 0.5000000), wk = 0.0020877 k( 363) = ( 0.2619048 0.2619048 0.5000000), wk = 0.0020877 k( 364) = ( 0.2579365 0.2579365 0.5000000), wk = 0.0020877 k( 365) = ( 0.2539683 0.2539683 0.5000000), wk = 0.0020877 k( 366) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0020877 k( 367) = ( 0.2460317 0.2460318 0.5000000), wk = 0.0020877 k( 368) = ( 0.2420635 0.2420635 0.5000000), wk = 0.0020877 k( 369) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0020877 k( 370) = ( 0.2341270 0.2341270 0.5000000), wk = 0.0020877 k( 371) = ( 0.2301587 0.2301587 0.5000000), wk = 0.0020877 k( 372) = ( 0.2261905 0.2261905 0.5000000), wk = 0.0020877 k( 373) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0020877 k( 374) = ( 0.2182540 0.2182540 0.5000000), wk = 0.0020877 k( 375) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0020877 k( 376) = ( 0.2103175 0.2103175 0.5000000), wk = 0.0020877 k( 377) = ( 0.2063492 0.2063492 0.5000000), wk = 0.0020877 k( 378) = ( 0.2023810 0.2023810 0.5000000), wk = 0.0020877 k( 379) = ( 0.1984127 0.1984127 0.5000000), wk = 0.0020877 k( 380) = ( 0.1944444 0.1944444 0.5000000), wk = 0.0020877 k( 381) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0020877 k( 382) = ( 0.1865079 0.1865079 0.5000000), wk = 0.0020877 k( 383) = ( 0.1825397 0.1825397 0.5000000), wk = 0.0020877 k( 384) = ( 0.1785714 0.1785714 0.5000000), wk = 0.0020877 k( 385) = ( 0.1746032 0.1746032 0.5000000), wk = 0.0020877 k( 386) = ( 0.1706349 0.1706349 0.5000000), wk = 0.0020877 k( 387) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0020877 k( 388) = ( 0.1626984 0.1626984 0.5000000), wk = 0.0020877 k( 389) = ( 0.1587302 0.1587302 0.5000000), wk = 0.0020877 k( 390) = ( 0.1547619 0.1547619 0.5000000), wk = 0.0020877 k( 391) = ( 0.1507937 0.1507937 0.5000000), wk = 0.0020877 k( 392) = ( 0.1468254 0.1468254 0.5000000), wk = 0.0020877 k( 393) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0020877 k( 394) = ( 0.1388889 0.1388889 0.5000000), wk = 0.0020877 k( 395) = ( 0.1349206 0.1349206 0.5000000), wk = 0.0020877 k( 396) = ( 0.1309524 0.1309524 0.5000000), wk = 0.0020877 k( 397) = ( 0.1269841 0.1269841 0.5000000), wk = 0.0020877 k( 398) = ( 0.1230159 0.1230159 0.5000000), wk = 0.0020877 k( 399) = ( 0.1190476 0.1190476 0.5000000), wk = 0.0020877 k( 400) = ( 0.1150794 0.1150794 0.5000000), wk = 0.0020877 k( 401) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0020877 k( 402) = ( 0.1071429 0.1071429 0.5000000), wk = 0.0020877 k( 403) = ( 0.1031746 0.1031746 0.5000000), wk = 0.0020877 k( 404) = ( 0.0992063 0.0992064 0.5000000), wk = 0.0020877 k( 405) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0020877 k( 406) = ( 0.0912698 0.0912698 0.5000000), wk = 0.0020877 k( 407) = ( 0.0873016 0.0873016 0.5000000), wk = 0.0020877 k( 408) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0020877 k( 409) = ( 0.0793651 0.0793651 0.5000000), wk = 0.0020877 k( 410) = ( 0.0753968 0.0753968 0.5000000), wk = 0.0020877 k( 411) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0020877 k( 412) = ( 0.0674603 0.0674603 0.5000000), wk = 0.0020877 k( 413) = ( 0.0634921 0.0634921 0.5000000), wk = 0.0020877 k( 414) = ( 0.0595238 0.0595238 0.5000000), wk = 0.0020877 k( 415) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0020877 k( 416) = ( 0.0515873 0.0515873 0.5000000), wk = 0.0020877 k( 417) = ( 0.0476191 0.0476191 0.5000000), wk = 0.0020877 k( 418) = ( 0.0436508 0.0436508 0.5000000), wk = 0.0020877 k( 419) = ( 0.0396825 0.0396825 0.5000000), wk = 0.0020877 k( 420) = ( 0.0357143 0.0357143 0.5000000), wk = 0.0020877 k( 421) = ( 0.0317460 0.0317460 0.5000000), wk = 0.0020877 k( 422) = ( 0.0277778 0.0277778 0.5000000), wk = 0.0020877 k( 423) = ( 0.0238095 0.0238095 0.5000000), wk = 0.0020877 k( 424) = ( 0.0198413 0.0198413 0.5000000), wk = 0.0020877 k( 425) = ( 0.0158730 0.0158730 0.5000000), wk = 0.0020877 k( 426) = ( 0.0119048 0.0119048 0.5000000), wk = 0.0020877 k( 427) = ( 0.0079365 0.0079365 0.5000000), wk = 0.0020877 k( 428) = ( 0.0039683 0.0039683 0.5000000), wk = 0.0020877 k( 429) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020877 k( 430) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020877 k( 431) = ( 0.5000000 0.0000000 0.4791667), wk = 0.0020877 k( 432) = ( 0.5000000 0.0000000 0.4583333), wk = 0.0020877 k( 433) = ( 0.5000000 0.0000000 0.4375000), wk = 0.0020877 k( 434) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0020877 k( 435) = ( 0.5000000 0.0000000 0.3958333), wk = 0.0020877 k( 436) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0020877 k( 437) = ( 0.5000000 0.0000000 0.3541667), wk = 0.0020877 k( 438) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0020877 k( 439) = ( 0.5000000 0.0000000 0.3125000), wk = 0.0020877 k( 440) = ( 0.5000000 0.0000000 0.2916667), wk = 0.0020877 k( 441) = ( 0.5000000 0.0000000 0.2708333), wk = 0.0020877 k( 442) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0020877 k( 443) = ( 0.5000000 0.0000000 0.2291667), wk = 0.0020877 k( 444) = ( 0.5000000 0.0000000 0.2083333), wk = 0.0020877 k( 445) = ( 0.5000000 0.0000000 0.1875000), wk = 0.0020877 k( 446) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0020877 k( 447) = ( 0.5000000 0.0000000 0.1458333), wk = 0.0020877 k( 448) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0020877 k( 449) = ( 0.5000000 0.0000000 0.1041667), wk = 0.0020877 k( 450) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0020877 k( 451) = ( 0.5000000 0.0000000 0.0625000), wk = 0.0020877 k( 452) = ( 0.5000000 0.0000000 0.0416667), wk = 0.0020877 k( 453) = ( 0.5000000 0.0000000 0.0208333), wk = 0.0020877 k( 454) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0020877 k( 455) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0020877 k( 456) = ( 0.3333333 0.3333333 0.0208333), wk = 0.0020877 k( 457) = ( 0.3333333 0.3333333 0.0416667), wk = 0.0020877 k( 458) = ( 0.3333333 0.3333333 0.0625000), wk = 0.0020877 k( 459) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0020877 k( 460) = ( 0.3333333 0.3333333 0.1041667), wk = 0.0020877 k( 461) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0020877 k( 462) = ( 0.3333333 0.3333333 0.1458333), wk = 0.0020877 k( 463) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0020877 k( 464) = ( 0.3333333 0.3333333 0.1875000), wk = 0.0020877 k( 465) = ( 0.3333333 0.3333333 0.2083333), wk = 0.0020877 k( 466) = ( 0.3333333 0.3333333 0.2291667), wk = 0.0020877 k( 467) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0020877 k( 468) = ( 0.3333333 0.3333333 0.2708333), wk = 0.0020877 k( 469) = ( 0.3333333 0.3333333 0.2916667), wk = 0.0020877 k( 470) = ( 0.3333333 0.3333333 0.3125000), wk = 0.0020877 k( 471) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0020877 k( 472) = ( 0.3333333 0.3333333 0.3541667), wk = 0.0020877 k( 473) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0020877 k( 474) = ( 0.3333333 0.3333333 0.3958333), wk = 0.0020877 k( 475) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0020877 k( 476) = ( 0.3333333 0.3333333 0.4375000), wk = 0.0020877 k( 477) = ( 0.3333333 0.3333333 0.4583333), wk = 0.0020877 k( 478) = ( 0.3333333 0.3333333 0.4791667), wk = 0.0020877 k( 479) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0020877 Dense grid: 24355 G-vectors FFT dimensions: ( 27, 27, 75) Smooth grid: 9683 G-vectors FFT dimensions: ( 24, 24, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 54, 24) NL pseudopotentials 0.02 Mb ( 27, 56) Each V/rho on FFT grid 0.03 Mb ( 2187) Each G-vector array 0.01 Mb ( 680) G-vector shells 0.00 Mb ( 337) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.08 Mb ( 54, 96) Each subspace H/S matrix 0.01 Mb ( 24, 24) Each matrix 0.04 Mb ( 56, 2, 24) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./BN.save/charge-density.dat 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 2.8 secs Computing kpt #: 2 total cpu time spent up to now is 2.8 secs Computing kpt #: 3 total cpu time spent up to now is 2.9 secs Computing kpt #: 4 total cpu time spent up to now is 3.0 secs Computing kpt #: 5 total cpu time spent up to now is 3.0 secs Computing kpt #: 6 total cpu time spent up to now is 3.1 secs Computing kpt #: 7 total cpu time spent up to now is 3.2 secs Computing kpt #: 8 total cpu time spent up to now is 3.2 secs Computing kpt #: 9 total cpu time spent up to now is 3.3 secs Computing kpt #: 10 total cpu time spent up to now is 3.4 secs Computing kpt #: 11 total cpu time spent up to now is 3.5 secs Computing kpt #: 12 total cpu time spent up to now is 3.5 secs Computing kpt #: 13 total cpu time spent up to now is 3.6 secs Computing kpt #: 14 total cpu time spent up to now is 3.7 secs Computing kpt #: 15 total cpu time spent up to now is 3.7 secs Computing kpt #: 16 total cpu time spent up to now is 3.8 secs Computing kpt #: 17 total cpu time spent up to now is 3.9 secs Computing kpt #: 18 total cpu time spent up to now is 4.0 secs Computing kpt #: 19 total cpu time spent up to now is 4.0 secs Computing kpt #: 20 total cpu time spent up to now is 4.1 secs Computing kpt #: 21 total cpu time spent up to now is 4.2 secs Computing kpt #: 22 total cpu time spent up to now is 4.2 secs Computing kpt #: 23 total cpu time spent up to now is 4.3 secs Computing kpt #: 24 total cpu time spent up to now is 4.4 secs Computing kpt #: 25 total cpu time spent up to now is 4.4 secs Computing kpt #: 26 total cpu time spent up to now is 4.5 secs Computing kpt #: 27 total cpu time spent up to now is 4.6 secs Computing kpt #: 28 total cpu time spent up to now is 4.7 secs Computing kpt #: 29 total cpu time spent up to now is 4.7 secs Computing kpt #: 30 total cpu time spent up to now is 4.8 secs Computing kpt #: 31 total cpu time spent up to now is 4.9 secs Computing kpt #: 32 total cpu time spent up to now is 5.0 secs Computing kpt #: 33 total cpu time spent up to now is 5.0 secs Computing kpt #: 34 total cpu time spent up to now is 5.1 secs Computing kpt #: 35 total cpu time spent up to now is 5.2 secs Computing kpt #: 36 total cpu time spent up to now is 5.3 secs Computing kpt #: 37 total cpu time spent up to now is 5.3 secs Computing kpt #: 38 total cpu time spent up to now is 5.4 secs Computing kpt #: 39 total cpu time spent up to now is 5.5 secs Computing kpt #: 40 total cpu time spent up to now is 5.6 secs Computing kpt #: 41 total cpu time spent up to now is 5.6 secs Computing kpt #: 42 total cpu time spent up to now is 5.7 secs Computing kpt #: 43 total cpu time spent up to now is 5.8 secs Computing kpt #: 44 total cpu time spent up to now is 5.9 secs Computing kpt #: 45 total cpu time spent up to now is 6.0 secs Computing kpt #: 46 total cpu time spent up to now is 6.1 secs Computing kpt #: 47 total cpu time spent up to now is 6.2 secs Computing kpt #: 48 total cpu time spent up to now is 6.3 secs Computing kpt #: 49 total cpu time spent up to now is 6.4 secs Computing kpt #: 50 total cpu time spent up to now is 6.5 secs Computing kpt #: 51 total cpu time spent up to now is 6.6 secs Computing kpt #: 52 total cpu time spent up to now is 6.7 secs Computing kpt #: 53 total cpu time spent up to now is 6.8 secs Computing kpt #: 54 total cpu time spent up to now is 6.9 secs Computing kpt #: 55 total cpu time spent up to now is 7.0 secs Computing kpt #: 56 total cpu time spent up to now is 7.1 secs Computing kpt #: 57 total cpu time spent up to now is 7.2 secs Computing kpt #: 58 total cpu time spent up to now is 7.3 secs Computing kpt #: 59 total cpu time spent up to now is 7.4 secs Computing kpt #: 60 total cpu time spent up to now is 7.5 secs Computing kpt #: 61 total cpu time spent up to now is 7.6 secs Computing kpt #: 62 total cpu time spent up to now is 7.7 secs Computing kpt #: 63 total cpu time spent up to now is 7.7 secs Computing kpt #: 64 total cpu time spent up to now is 7.8 secs Computing kpt #: 65 total cpu time spent up to now is 7.9 secs Computing kpt #: 66 total cpu time spent up to now is 8.0 secs Computing kpt #: 67 total cpu time spent up to now is 8.1 secs Computing kpt #: 68 total cpu time spent up to now is 8.1 secs Computing kpt #: 69 total cpu time spent up to now is 8.2 secs Computing kpt #: 70 total cpu time spent up to now is 8.3 secs Computing kpt #: 71 total cpu time spent up to now is 8.4 secs Computing kpt #: 72 total cpu time spent up to now is 8.5 secs Computing kpt #: 73 total cpu time spent up to now is 8.6 secs Computing kpt #: 74 total cpu time spent up to now is 8.7 secs Computing kpt #: 75 total cpu time spent up to now is 8.8 secs Computing kpt #: 76 total cpu time spent up to now is 8.9 secs Computing kpt #: 77 total cpu time spent up to now is 8.9 secs Computing kpt #: 78 total cpu time spent up to now is 9.0 secs Computing kpt #: 79 total cpu time spent up to now is 9.1 secs Computing kpt #: 80 total cpu time spent up to now is 9.2 secs Computing kpt #: 81 total cpu time spent up to now is 9.3 secs Computing kpt #: 82 total cpu time spent up to now is 9.4 secs Computing kpt #: 83 total cpu time spent up to now is 9.4 secs Computing kpt #: 84 total cpu time spent up to now is 9.5 secs Computing kpt #: 85 total cpu time spent up to now is 9.6 secs Computing kpt #: 86 total cpu time spent up to now is 9.7 secs Computing kpt #: 87 total cpu time spent up to now is 9.8 secs Computing kpt #: 88 total cpu time spent up to now is 9.9 secs Computing kpt #: 89 total cpu time spent up to now is 10.0 secs Computing kpt #: 90 total cpu time spent up to now is 10.0 secs Computing kpt #: 91 total cpu time spent up to now is 10.1 secs Computing kpt #: 92 total cpu time spent up to now is 10.2 secs Computing kpt #: 93 total cpu time spent up to now is 10.3 secs Computing kpt #: 94 total cpu time spent up to now is 10.4 secs Computing kpt #: 95 total cpu time spent up to now is 10.5 secs Computing kpt #: 96 total cpu time spent up to now is 10.6 secs Computing kpt #: 97 total cpu time spent up to now is 10.7 secs Computing kpt #: 98 total cpu time spent up to now is 10.8 secs Computing kpt #: 99 total cpu time spent up to now is 10.9 secs Computing kpt #: 100 total cpu time spent up to now is 10.9 secs Computing kpt #: 101 total cpu time spent up to now is 11.0 secs Computing kpt #: 102 total cpu time spent up to now is 11.1 secs Computing kpt #: 103 total cpu time spent up to now is 11.2 secs Computing kpt #: 104 total cpu time spent up to now is 11.3 secs Computing kpt #: 105 total cpu time spent up to now is 11.4 secs Computing kpt #: 106 total cpu time spent up to now is 11.5 secs Computing kpt #: 107 total cpu time spent up to now is 11.5 secs Computing kpt #: 108 total cpu time spent up to now is 11.6 secs Computing kpt #: 109 total cpu time spent up to now is 11.7 secs Computing kpt #: 110 total cpu time spent up to now is 11.8 secs Computing kpt #: 111 total cpu time spent up to now is 11.9 secs Computing kpt #: 112 total cpu time spent up to now is 12.0 secs Computing kpt #: 113 total cpu time spent up to now is 12.1 secs Computing kpt #: 114 total cpu time spent up to now is 12.2 secs Computing kpt #: 115 total cpu time spent up to now is 12.3 secs Computing kpt #: 116 total cpu time spent up to now is 12.4 secs Computing kpt #: 117 total cpu time spent up to now is 12.5 secs Computing kpt #: 118 total cpu time spent up to now is 12.7 secs Computing kpt #: 119 total cpu time spent up to now is 12.7 secs Computing kpt #: 120 total cpu time spent up to now is 12.8 secs Computing kpt #: 121 total cpu time spent up to now is 12.9 secs Computing kpt #: 122 total cpu time spent up to now is 13.0 secs Computing kpt #: 123 total cpu time spent up to now is 13.1 secs Computing kpt #: 124 total cpu time spent up to now is 13.1 secs Computing kpt #: 125 total cpu time spent up to now is 13.2 secs Computing kpt #: 126 total cpu time spent up to now is 13.3 secs Computing kpt #: 127 total cpu time spent up to now is 13.4 secs Computing kpt #: 128 total cpu time spent up to now is 13.5 secs Computing kpt #: 129 total cpu time spent up to now is 13.5 secs Computing kpt #: 130 total cpu time spent up to now is 13.6 secs Computing kpt #: 131 total cpu time spent up to now is 13.7 secs Computing kpt #: 132 total cpu time spent up to now is 13.8 secs Computing kpt #: 133 total cpu time spent up to now is 13.9 secs Computing kpt #: 134 total cpu time spent up to now is 13.9 secs Computing kpt #: 135 total cpu time spent up to now is 14.0 secs Computing kpt #: 136 total cpu time spent up to now is 14.1 secs Computing kpt #: 137 total cpu time spent up to now is 14.2 secs Computing kpt #: 138 total cpu time spent up to now is 14.3 secs Computing kpt #: 139 total cpu time spent up to now is 14.3 secs Computing kpt #: 140 total cpu time spent up to now is 14.4 secs Computing kpt #: 141 total cpu time spent up to now is 14.5 secs Computing kpt #: 142 total cpu time spent up to now is 14.6 secs Computing kpt #: 143 total cpu time spent up to now is 14.6 secs Computing kpt #: 144 total cpu time spent up to now is 14.7 secs Computing kpt #: 145 total cpu time spent up to now is 14.8 secs Computing kpt #: 146 total cpu time spent up to now is 14.9 secs Computing kpt #: 147 total cpu time spent up to now is 14.9 secs Computing kpt #: 148 total cpu time spent up to now is 15.0 secs Computing kpt #: 149 total cpu time spent up to now is 15.1 secs Computing kpt #: 150 total cpu time spent up to now is 15.2 secs Computing kpt #: 151 total cpu time spent up to now is 15.2 secs Computing kpt #: 152 total cpu time spent up to now is 15.3 secs Computing kpt #: 153 total cpu time spent up to now is 15.4 secs Computing kpt #: 154 total cpu time spent up to now is 15.5 secs Computing kpt #: 155 total cpu time spent up to now is 15.6 secs Computing kpt #: 156 total cpu time spent up to now is 15.6 secs Computing kpt #: 157 total cpu time spent up to now is 15.7 secs Computing kpt #: 158 total cpu time spent up to now is 15.8 secs Computing kpt #: 159 total cpu time spent up to now is 15.9 secs Computing kpt #: 160 total cpu time spent up to now is 16.0 secs Computing kpt #: 161 total cpu time spent up to now is 16.1 secs Computing kpt #: 162 total cpu time spent up to now is 16.2 secs Computing kpt #: 163 total cpu time spent up to now is 16.3 secs Computing kpt #: 164 total cpu time spent up to now is 16.3 secs Computing kpt #: 165 total cpu time spent up to now is 16.4 secs Computing kpt #: 166 total cpu time spent up to now is 16.5 secs Computing kpt #: 167 total cpu time spent up to now is 16.5 secs Computing kpt #: 168 total cpu time spent up to now is 16.6 secs Computing kpt #: 169 total cpu time spent up to now is 16.7 secs Computing kpt #: 170 total cpu time spent up to now is 16.7 secs Computing kpt #: 171 total cpu time spent up to now is 16.8 secs Computing kpt #: 172 total cpu time spent up to now is 16.9 secs Computing kpt #: 173 total cpu time spent up to now is 16.9 secs Computing kpt #: 174 total cpu time spent up to now is 17.0 secs Computing kpt #: 175 total cpu time spent up to now is 17.1 secs Computing kpt #: 176 total cpu time spent up to now is 17.2 secs Computing kpt #: 177 total cpu time spent up to now is 17.2 secs Computing kpt #: 178 total cpu time spent up to now is 17.3 secs Computing kpt #: 179 total cpu time spent up to now is 17.4 secs Computing kpt #: 180 total cpu time spent up to now is 17.4 secs Computing kpt #: 181 total cpu time spent up to now is 17.5 secs Computing kpt #: 182 total cpu time spent up to now is 17.6 secs Computing kpt #: 183 total cpu time spent up to now is 17.6 secs Computing kpt #: 184 total cpu time spent up to now is 17.7 secs Computing kpt #: 185 total cpu time spent up to now is 17.8 secs Computing kpt #: 186 total cpu time spent up to now is 17.8 secs Computing kpt #: 187 total cpu time spent up to now is 17.9 secs Computing kpt #: 188 total cpu time spent up to now is 18.0 secs Computing kpt #: 189 total cpu time spent up to now is 18.0 secs Computing kpt #: 190 total cpu time spent up to now is 18.1 secs Computing kpt #: 191 total cpu time spent up to now is 18.2 secs Computing kpt #: 192 total cpu time spent up to now is 18.2 secs Computing kpt #: 193 total cpu time spent up to now is 18.3 secs Computing kpt #: 194 total cpu time spent up to now is 18.4 secs Computing kpt #: 195 total cpu time spent up to now is 18.4 secs Computing kpt #: 196 total cpu time spent up to now is 18.5 secs Computing kpt #: 197 total cpu time spent up to now is 18.6 secs Computing kpt #: 198 total cpu time spent up to now is 18.6 secs Computing kpt #: 199 total cpu time spent up to now is 18.7 secs Computing kpt #: 200 total cpu time spent up to now is 18.7 secs Computing kpt #: 201 total cpu time spent up to now is 18.8 secs Computing kpt #: 202 total cpu time spent up to now is 18.9 secs Computing kpt #: 203 total cpu time spent up to now is 18.9 secs Computing kpt #: 204 total cpu time spent up to now is 19.0 secs Computing kpt #: 205 total cpu time spent up to now is 19.1 secs Computing kpt #: 206 total cpu time spent up to now is 19.1 secs Computing kpt #: 207 total cpu time spent up to now is 19.2 secs Computing kpt #: 208 total cpu time spent up to now is 19.3 secs Computing kpt #: 209 total cpu time spent up to now is 19.3 secs Computing kpt #: 210 total cpu time spent up to now is 19.4 secs Computing kpt #: 211 total cpu time spent up to now is 19.5 secs Computing kpt #: 212 total cpu time spent up to now is 19.5 secs Computing kpt #: 213 total cpu time spent up to now is 19.6 secs Computing kpt #: 214 total cpu time spent up to now is 19.7 secs Computing kpt #: 215 total cpu time spent up to now is 19.7 secs Computing kpt #: 216 total cpu time spent up to now is 19.8 secs Computing kpt #: 217 total cpu time spent up to now is 19.9 secs Computing kpt #: 218 total cpu time spent up to now is 19.9 secs Computing kpt #: 219 total cpu time spent up to now is 20.0 secs Computing kpt #: 220 total cpu time spent up to now is 20.0 secs Computing kpt #: 221 total cpu time spent up to now is 20.1 secs Computing kpt #: 222 total cpu time spent up to now is 20.2 secs Computing kpt #: 223 total cpu time spent up to now is 20.2 secs Computing kpt #: 224 total cpu time spent up to now is 20.3 secs Computing kpt #: 225 total cpu time spent up to now is 20.3 secs Computing kpt #: 226 total cpu time spent up to now is 20.4 secs Computing kpt #: 227 total cpu time spent up to now is 20.5 secs Computing kpt #: 228 total cpu time spent up to now is 20.5 secs Computing kpt #: 229 total cpu time spent up to now is 20.6 secs Computing kpt #: 230 total cpu time spent up to now is 20.7 secs Computing kpt #: 231 total cpu time spent up to now is 20.7 secs Computing kpt #: 232 total cpu time spent up to now is 20.8 secs Computing kpt #: 233 total cpu time spent up to now is 20.9 secs Computing kpt #: 234 total cpu time spent up to now is 20.9 secs Computing kpt #: 235 total cpu time spent up to now is 21.0 secs Computing kpt #: 236 total cpu time spent up to now is 21.1 secs Computing kpt #: 237 total cpu time spent up to now is 21.1 secs Computing kpt #: 238 total cpu time spent up to now is 21.2 secs Computing kpt #: 239 total cpu time spent up to now is 21.3 secs Computing kpt #: 240 total cpu time spent up to now is 21.3 secs Computing kpt #: 241 total cpu time spent up to now is 21.4 secs Computing kpt #: 242 total cpu time spent up to now is 21.5 secs Computing kpt #: 243 total cpu time spent up to now is 21.5 secs Computing kpt #: 244 total cpu time spent up to now is 21.6 secs Computing kpt #: 245 total cpu time spent up to now is 21.7 secs Computing kpt #: 246 total cpu time spent up to now is 21.7 secs Computing kpt #: 247 total cpu time spent up to now is 21.8 secs Computing kpt #: 248 total cpu time spent up to now is 21.9 secs Computing kpt #: 249 total cpu time spent up to now is 22.0 secs Computing kpt #: 250 total cpu time spent up to now is 22.0 secs Computing kpt #: 251 total cpu time spent up to now is 22.1 secs Computing kpt #: 252 total cpu time spent up to now is 22.2 secs Computing kpt #: 253 total cpu time spent up to now is 22.2 secs Computing kpt #: 254 total cpu time spent up to now is 22.3 secs Computing kpt #: 255 total cpu time spent up to now is 22.4 secs Computing kpt #: 256 total cpu time spent up to now is 22.5 secs Computing kpt #: 257 total cpu time spent up to now is 22.5 secs Computing kpt #: 258 total cpu time spent up to now is 22.6 secs Computing kpt #: 259 total cpu time spent up to now is 22.7 secs Computing kpt #: 260 total cpu time spent up to now is 22.8 secs Computing kpt #: 261 total cpu time spent up to now is 22.8 secs Computing kpt #: 262 total cpu time spent up to now is 22.9 secs Computing kpt #: 263 total cpu time spent up to now is 23.0 secs Computing kpt #: 264 total cpu time spent up to now is 23.1 secs Computing kpt #: 265 total cpu time spent up to now is 23.1 secs Computing kpt #: 266 total cpu time spent up to now is 23.2 secs Computing kpt #: 267 total cpu time spent up to now is 23.3 secs Computing kpt #: 268 total cpu time spent up to now is 23.4 secs Computing kpt #: 269 total cpu time spent up to now is 23.4 secs Computing kpt #: 270 total cpu time spent up to now is 23.5 secs Computing kpt #: 271 total cpu time spent up to now is 23.6 secs Computing kpt #: 272 total cpu time spent up to now is 23.7 secs Computing kpt #: 273 total cpu time spent up to now is 23.8 secs Computing kpt #: 274 total cpu time spent up to now is 23.9 secs Computing kpt #: 275 total cpu time spent up to now is 24.0 secs Computing kpt #: 276 total cpu time spent up to now is 24.1 secs Computing kpt #: 277 total cpu time spent up to now is 24.2 secs Computing kpt #: 278 total cpu time spent up to now is 24.3 secs Computing kpt #: 279 total cpu time spent up to now is 24.4 secs Computing kpt #: 280 total cpu time spent up to now is 24.5 secs Computing kpt #: 281 total cpu time spent up to now is 24.6 secs Computing kpt #: 282 total cpu time spent up to now is 24.7 secs Computing kpt #: 283 total cpu time spent up to now is 24.9 secs Computing kpt #: 284 total cpu time spent up to now is 25.0 secs Computing kpt #: 285 total cpu time spent up to now is 25.1 secs Computing kpt #: 286 total cpu time spent up to now is 25.2 secs Computing kpt #: 287 total cpu time spent up to now is 25.3 secs Computing kpt #: 288 total cpu time spent up to now is 25.4 secs Computing kpt #: 289 total cpu time spent up to now is 25.5 secs Computing kpt #: 290 total cpu time spent up to now is 25.6 secs Computing kpt #: 291 total cpu time spent up to now is 25.6 secs Computing kpt #: 292 total cpu time spent up to now is 25.7 secs Computing kpt #: 293 total cpu time spent up to now is 25.8 secs Computing kpt #: 294 total cpu time spent up to now is 25.9 secs Computing kpt #: 295 total cpu time spent up to now is 26.0 secs Computing kpt #: 296 total cpu time spent up to now is 26.0 secs Computing kpt #: 297 total cpu time spent up to now is 26.1 secs Computing kpt #: 298 total cpu time spent up to now is 26.2 secs Computing kpt #: 299 total cpu time spent up to now is 26.3 secs Computing kpt #: 300 total cpu time spent up to now is 26.3 secs Computing kpt #: 301 total cpu time spent up to now is 26.4 secs Computing kpt #: 302 total cpu time spent up to now is 26.5 secs Computing kpt #: 303 total cpu time spent up to now is 26.6 secs Computing kpt #: 304 total cpu time spent up to now is 26.7 secs Computing kpt #: 305 total cpu time spent up to now is 26.7 secs Computing kpt #: 306 total cpu time spent up to now is 26.8 secs Computing kpt #: 307 total cpu time spent up to now is 26.9 secs Computing kpt #: 308 total cpu time spent up to now is 27.0 secs Computing kpt #: 309 total cpu time spent up to now is 27.1 secs Computing kpt #: 310 total cpu time spent up to now is 27.1 secs Computing kpt #: 311 total cpu time spent up to now is 27.2 secs Computing kpt #: 312 total cpu time spent up to now is 27.3 secs Computing kpt #: 313 total cpu time spent up to now is 27.4 secs Computing kpt #: 314 total cpu time spent up to now is 27.5 secs Computing kpt #: 315 total cpu time spent up to now is 27.5 secs Computing kpt #: 316 total cpu time spent up to now is 27.6 secs Computing kpt #: 317 total cpu time spent up to now is 27.7 secs Computing kpt #: 318 total cpu time spent up to now is 27.8 secs Computing kpt #: 319 total cpu time spent up to now is 27.9 secs Computing kpt #: 320 total cpu time spent up to now is 27.9 secs Computing kpt #: 321 total cpu time spent up to now is 28.0 secs Computing kpt #: 322 total cpu time spent up to now is 28.1 secs Computing kpt #: 323 total cpu time spent up to now is 28.2 secs Computing kpt #: 324 total cpu time spent up to now is 28.3 secs Computing kpt #: 325 total cpu time spent up to now is 28.4 secs Computing kpt #: 326 total cpu time spent up to now is 28.5 secs Computing kpt #: 327 total cpu time spent up to now is 28.5 secs Computing kpt #: 328 total cpu time spent up to now is 28.6 secs Computing kpt #: 329 total cpu time spent up to now is 28.7 secs Computing kpt #: 330 total cpu time spent up to now is 28.8 secs Computing kpt #: 331 total cpu time spent up to now is 28.9 secs Computing kpt #: 332 total cpu time spent up to now is 29.0 secs Computing kpt #: 333 total cpu time spent up to now is 29.1 secs Computing kpt #: 334 total cpu time spent up to now is 29.2 secs Computing kpt #: 335 total cpu time spent up to now is 29.3 secs Computing kpt #: 336 total cpu time spent up to now is 29.4 secs Computing kpt #: 337 total cpu time spent up to now is 29.5 secs Computing kpt #: 338 total cpu time spent up to now is 29.7 secs Computing kpt #: 339 total cpu time spent up to now is 29.8 secs Computing kpt #: 340 total cpu time spent up to now is 29.9 secs Computing kpt #: 341 total cpu time spent up to now is 30.0 secs Computing kpt #: 342 total cpu time spent up to now is 30.1 secs Computing kpt #: 343 total cpu time spent up to now is 30.2 secs Computing kpt #: 344 total cpu time spent up to now is 30.3 secs Computing kpt #: 345 total cpu time spent up to now is 30.3 secs Computing kpt #: 346 total cpu time spent up to now is 30.4 secs Computing kpt #: 347 total cpu time spent up to now is 30.5 secs Computing kpt #: 348 total cpu time spent up to now is 30.6 secs Computing kpt #: 349 total cpu time spent up to now is 30.7 secs Computing kpt #: 350 total cpu time spent up to now is 30.8 secs Computing kpt #: 351 total cpu time spent up to now is 30.9 secs Computing kpt #: 352 total cpu time spent up to now is 30.9 secs Computing kpt #: 353 total cpu time spent up to now is 31.0 secs Computing kpt #: 354 total cpu time spent up to now is 31.1 secs Computing kpt #: 355 total cpu time spent up to now is 31.2 secs Computing kpt #: 356 total cpu time spent up to now is 31.3 secs Computing kpt #: 357 total cpu time spent up to now is 31.3 secs Computing kpt #: 358 total cpu time spent up to now is 31.4 secs Computing kpt #: 359 total cpu time spent up to now is 31.5 secs Computing kpt #: 360 total cpu time spent up to now is 31.6 secs Computing kpt #: 361 total cpu time spent up to now is 31.6 secs Computing kpt #: 362 total cpu time spent up to now is 31.7 secs Computing kpt #: 363 total cpu time spent up to now is 31.8 secs Computing kpt #: 364 total cpu time spent up to now is 31.9 secs Computing kpt #: 365 total cpu time spent up to now is 31.9 secs Computing kpt #: 366 total cpu time spent up to now is 32.0 secs Computing kpt #: 367 total cpu time spent up to now is 32.1 secs Computing kpt #: 368 total cpu time spent up to now is 32.2 secs Computing kpt #: 369 total cpu time spent up to now is 32.2 secs Computing kpt #: 370 total cpu time spent up to now is 32.3 secs Computing kpt #: 371 total cpu time spent up to now is 32.4 secs Computing kpt #: 372 total cpu time spent up to now is 32.5 secs Computing kpt #: 373 total cpu time spent up to now is 32.5 secs Computing kpt #: 374 total cpu time spent up to now is 32.6 secs Computing kpt #: 375 total cpu time spent up to now is 32.7 secs Computing kpt #: 376 total cpu time spent up to now is 32.7 secs Computing kpt #: 377 total cpu time spent up to now is 32.8 secs Computing kpt #: 378 total cpu time spent up to now is 32.9 secs Computing kpt #: 379 total cpu time spent up to now is 33.0 secs Computing kpt #: 380 total cpu time spent up to now is 33.0 secs Computing kpt #: 381 total cpu time spent up to now is 33.1 secs Computing kpt #: 382 total cpu time spent up to now is 33.2 secs Computing kpt #: 383 total cpu time spent up to now is 33.2 secs Computing kpt #: 384 total cpu time spent up to now is 33.3 secs Computing kpt #: 385 total cpu time spent up to now is 33.4 secs Computing kpt #: 386 total cpu time spent up to now is 33.5 secs Computing kpt #: 387 total cpu time spent up to now is 33.6 secs Computing kpt #: 388 total cpu time spent up to now is 33.7 secs Computing kpt #: 389 total cpu time spent up to now is 33.8 secs Computing kpt #: 390 total cpu time spent up to now is 33.8 secs Computing kpt #: 391 total cpu time spent up to now is 33.9 secs Computing kpt #: 392 total cpu time spent up to now is 34.0 secs Computing kpt #: 393 total cpu time spent up to now is 34.0 secs Computing kpt #: 394 total cpu time spent up to now is 34.1 secs Computing kpt #: 395 total cpu time spent up to now is 34.2 secs Computing kpt #: 396 total cpu time spent up to now is 34.2 secs Computing kpt #: 397 total cpu time spent up to now is 34.3 secs Computing kpt #: 398 total cpu time spent up to now is 34.4 secs Computing kpt #: 399 total cpu time spent up to now is 34.4 secs Computing kpt #: 400 total cpu time spent up to now is 34.5 secs Computing kpt #: 401 total cpu time spent up to now is 34.6 secs Computing kpt #: 402 total cpu time spent up to now is 34.6 secs Computing kpt #: 403 total cpu time spent up to now is 34.7 secs Computing kpt #: 404 total cpu time spent up to now is 34.7 secs Computing kpt #: 405 total cpu time spent up to now is 34.8 secs Computing kpt #: 406 total cpu time spent up to now is 34.9 secs Computing kpt #: 407 total cpu time spent up to now is 34.9 secs Computing kpt #: 408 total cpu time spent up to now is 35.0 secs Computing kpt #: 409 total cpu time spent up to now is 35.1 secs Computing kpt #: 410 total cpu time spent up to now is 35.1 secs Computing kpt #: 411 total cpu time spent up to now is 35.2 secs Computing kpt #: 412 total cpu time spent up to now is 35.3 secs Computing kpt #: 413 total cpu time spent up to now is 35.3 secs Computing kpt #: 414 total cpu time spent up to now is 35.4 secs Computing kpt #: 415 total cpu time spent up to now is 35.4 secs Computing kpt #: 416 total cpu time spent up to now is 35.5 secs Computing kpt #: 417 total cpu time spent up to now is 35.6 secs Computing kpt #: 418 total cpu time spent up to now is 35.6 secs Computing kpt #: 419 total cpu time spent up to now is 35.7 secs Computing kpt #: 420 total cpu time spent up to now is 35.8 secs Computing kpt #: 421 total cpu time spent up to now is 35.8 secs Computing kpt #: 422 total cpu time spent up to now is 35.9 secs Computing kpt #: 423 total cpu time spent up to now is 35.9 secs Computing kpt #: 424 total cpu time spent up to now is 36.0 secs Computing kpt #: 425 total cpu time spent up to now is 36.1 secs Computing kpt #: 426 total cpu time spent up to now is 36.1 secs Computing kpt #: 427 total cpu time spent up to now is 36.2 secs Computing kpt #: 428 total cpu time spent up to now is 36.2 secs Computing kpt #: 429 total cpu time spent up to now is 36.3 secs Computing kpt #: 430 total cpu time spent up to now is 36.4 secs Computing kpt #: 431 total cpu time spent up to now is 36.4 secs Computing kpt #: 432 total cpu time spent up to now is 36.5 secs Computing kpt #: 433 total cpu time spent up to now is 36.6 secs Computing kpt #: 434 total cpu time spent up to now is 36.7 secs Computing kpt #: 435 total cpu time spent up to now is 36.7 secs Computing kpt #: 436 total cpu time spent up to now is 36.8 secs Computing kpt #: 437 total cpu time spent up to now is 36.9 secs Computing kpt #: 438 total cpu time spent up to now is 37.0 secs Computing kpt #: 439 total cpu time spent up to now is 37.0 secs Computing kpt #: 440 total cpu time spent up to now is 37.1 secs Computing kpt #: 441 total cpu time spent up to now is 37.2 secs Computing kpt #: 442 total cpu time spent up to now is 37.3 secs Computing kpt #: 443 total cpu time spent up to now is 37.3 secs Computing kpt #: 444 total cpu time spent up to now is 37.4 secs Computing kpt #: 445 total cpu time spent up to now is 37.5 secs Computing kpt #: 446 total cpu time spent up to now is 37.6 secs Computing kpt #: 447 total cpu time spent up to now is 37.6 secs Computing kpt #: 448 total cpu time spent up to now is 37.7 secs Computing kpt #: 449 total cpu time spent up to now is 37.8 secs Computing kpt #: 450 total cpu time spent up to now is 37.9 secs Computing kpt #: 451 total cpu time spent up to now is 37.9 secs Computing kpt #: 452 total cpu time spent up to now is 38.0 secs Computing kpt #: 453 total cpu time spent up to now is 38.1 secs Computing kpt #: 454 total cpu time spent up to now is 38.2 secs Computing kpt #: 455 total cpu time spent up to now is 38.2 secs Computing kpt #: 456 total cpu time spent up to now is 38.4 secs Computing kpt #: 457 total cpu time spent up to now is 38.5 secs Computing kpt #: 458 total cpu time spent up to now is 38.6 secs Computing kpt #: 459 total cpu time spent up to now is 38.7 secs Computing kpt #: 460 total cpu time spent up to now is 38.8 secs Computing kpt #: 461 total cpu time spent up to now is 38.9 secs Computing kpt #: 462 total cpu time spent up to now is 39.0 secs Computing kpt #: 463 total cpu time spent up to now is 39.0 secs Computing kpt #: 464 total cpu time spent up to now is 39.1 secs Computing kpt #: 465 total cpu time spent up to now is 39.3 secs Computing kpt #: 466 total cpu time spent up to now is 39.3 secs Computing kpt #: 467 total cpu time spent up to now is 39.4 secs Computing kpt #: 468 total cpu time spent up to now is 39.5 secs Computing kpt #: 469 total cpu time spent up to now is 39.6 secs Computing kpt #: 470 total cpu time spent up to now is 39.7 secs Computing kpt #: 471 total cpu time spent up to now is 39.8 secs Computing kpt #: 472 total cpu time spent up to now is 39.9 secs Computing kpt #: 473 total cpu time spent up to now is 40.0 secs Computing kpt #: 474 total cpu time spent up to now is 40.1 secs Computing kpt #: 475 total cpu time spent up to now is 40.2 secs Computing kpt #: 476 total cpu time spent up to now is 40.3 secs Computing kpt #: 477 total cpu time spent up to now is 40.4 secs Computing kpt #: 478 total cpu time spent up to now is 40.5 secs Computing kpt #: 479 total cpu time spent up to now is 40.6 secs ethr = 6.25E-08, avg # of iterations = 11.3 total cpu time spent up to now is 40.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1179 PWs) bands (ev): -20.9872 -20.9872 -7.6137 -7.6137 -7.2895 -7.2895 -4.7895 -4.7895 -4.7768 -4.7768 1.4172 1.4172 1.4218 1.4218 4.1852 4.1852 7.7555 7.7555 8.9630 8.9630 8.9811 8.9811 10.9381 10.9381 k = 0.0068 0.0040-0.0000 ( 1179 PWs) bands (ev): -20.9865 -20.9865 -7.6128 -7.6128 -7.2882 -7.2882 -4.7959 -4.7959 -4.7831 -4.7831 1.4245 1.4245 1.4293 1.4293 4.1861 4.1861 7.7572 7.7572 8.9613 8.9613 8.9795 8.9795 10.9358 10.9358 k = 0.0137 0.0079-0.0000 ( 1175 PWs) bands (ev): -20.9842 -20.9842 -7.6101 -7.6101 -7.2841 -7.2841 -4.8159 -4.8159 -4.8011 -4.8011 1.4456 1.4456 1.4523 1.4523 4.1886 4.1886 7.7622 7.7622 8.9557 8.9557 8.9755 8.9755 10.9289 10.9289 k = 0.0205 0.0119-0.0000 ( 1177 PWs) bands (ev): -20.9804 -20.9804 -7.6056 -7.6056 -7.2775 -7.2775 -4.8506 -4.8506 -4.8292 -4.8292 1.4794 1.4794 1.4914 1.4914 4.1928 4.1928 7.7706 7.7706 8.9446 8.9446 8.9703 8.9703 10.9173 10.9173 k = 0.0274 0.0158-0.0000 ( 1177 PWs) bands (ev): -20.9752 -20.9752 -7.5993 -7.5993 -7.2681 -7.2681 -4.8996 -4.8996 -4.8667 -4.8667 1.5254 1.5254 1.5460 1.5460 4.1986 4.1986 7.7823 7.7823 8.9275 8.9275 8.9647 8.9647 10.9011 10.9011 k = 0.0342 0.0198-0.0000 ( 1179 PWs) bands (ev): -20.9684 -20.9684 -7.5912 -7.5912 -7.2561 -7.2561 -4.9622 -4.9622 -4.9133 -4.9133 1.5831 1.5831 1.6154 1.6154 4.2062 4.2062 7.7973 7.7973 8.9047 8.9047 8.9585 8.9585 10.8803 10.8803 k = 0.0411 0.0237-0.0000 ( 1187 PWs) bands (ev): -20.9601 -20.9601 -7.5813 -7.5813 -7.2415 -7.2415 -5.0372 -5.0372 -4.9686 -4.9686 1.6517 1.6517 1.6989 1.6989 4.2153 4.2153 7.8155 7.8155 8.8766 8.8766 8.9514 8.9514 10.8547 10.8547 k = 0.0479 0.0277-0.0000 ( 1187 PWs) bands (ev): -20.9504 -20.9504 -7.5697 -7.5697 -7.2241 -7.2241 -5.1236 -5.1236 -5.0320 -5.0320 1.7302 1.7302 1.7957 1.7957 4.2261 4.2261 7.8369 7.8369 8.8437 8.8437 8.9434 8.9434 10.8246 10.8246 k = 0.0548 0.0316-0.0000 ( 1187 PWs) bands (ev): -20.9391 -20.9391 -7.5562 -7.5562 -7.2041 -7.2041 -5.2204 -5.2204 -5.1027 -5.1027 1.8176 1.8176 1.9052 1.9052 4.2386 4.2386 7.8612 7.8612 8.8064 8.8064 8.9343 8.9343 10.7899 10.7899 k = 0.0616 0.0356-0.0000 ( 1187 PWs) bands (ev): -20.9263 -20.9263 -7.5410 -7.5410 -7.1815 -7.1815 -5.3267 -5.3267 -5.1801 -5.1801 1.9128 1.9129 2.0265 2.0265 4.2527 4.2527 7.8882 7.8882 8.7650 8.7650 8.9241 8.9241 10.7506 10.7506 k = 0.0685 0.0395-0.0000 ( 1187 PWs) bands (ev): -20.9121 -20.9121 -7.5240 -7.5240 -7.1561 -7.1561 -5.4415 -5.4415 -5.2633 -5.2633 2.0150 2.0150 2.1588 2.1588 4.2684 4.2684 7.9175 7.9175 8.7201 8.7201 8.9129 8.9129 10.7066 10.7066 k = 0.0753 0.0435-0.0000 ( 1187 PWs) bands (ev): -20.8964 -20.8964 -7.5053 -7.5053 -7.1282 -7.1282 -5.5640 -5.5640 -5.3517 -5.3517 2.1229 2.1229 2.3014 2.3014 4.2857 4.2857 7.9485 7.9485 8.6727 8.6727 8.9007 8.9007 10.6579 10.6579 k = 0.0822 0.0475-0.0000 ( 1191 PWs) bands (ev): -20.8792 -20.8792 -7.4848 -7.4848 -7.0976 -7.0976 -5.6933 -5.6933 -5.4446 -5.4446 2.2357 2.2357 2.4537 2.4537 4.3046 4.3046 7.9800 7.9800 8.6238 8.6238 8.8874 8.8874 10.6046 10.6046 k = 0.0890 0.0514-0.0000 ( 1191 PWs) bands (ev): -20.8606 -20.8606 -7.4626 -7.4626 -7.0643 -7.0643 -5.8285 -5.8285 -5.5413 -5.5413 2.3524 2.3524 2.6149 2.6149 4.3251 4.3251 8.0101 8.0101 8.5760 8.5760 8.8731 8.8731 10.5466 10.5466 k = 0.0959 0.0554-0.0000 ( 1191 PWs) bands (ev): -20.8405 -20.8405 -7.4387 -7.4387 -7.0284 -7.0284 -5.9690 -5.9690 -5.6412 -5.6412 2.4721 2.4721 2.7844 2.7844 4.3471 4.3471 8.0354 8.0354 8.5325 8.5325 8.8578 8.8578 10.4839 10.4839 k = 0.1027 0.0593-0.0000 ( 1193 PWs) bands (ev): -20.8189 -20.8189 -7.4131 -7.4131 -6.9899 -6.9899 -6.1141 -6.1141 -5.7437 -5.7437 2.5942 2.5942 2.9616 2.9616 4.3706 4.3706 8.0502 8.0502 8.4994 8.4994 8.8416 8.8416 10.4165 10.4165 k = 0.1096 0.0633-0.0000 ( 1193 PWs) bands (ev): -20.7959 -20.7959 -7.3859 -7.3859 -6.9487 -6.9487 -6.2630 -6.2630 -5.8484 -5.8484 2.7177 2.7177 3.1461 3.1461 4.3956 4.3956 8.0475 8.0475 8.4837 8.4837 8.8246 8.8246 10.3444 10.3444 k = 0.1164 0.0672-0.0000 ( 1193 PWs) bands (ev): -20.7715 -20.7715 -7.3570 -7.3570 -6.9050 -6.9050 -6.4154 -6.4154 -5.9548 -5.9548 2.8420 2.8420 3.3374 3.3374 4.4220 4.4220 8.0223 8.0223 8.4908 8.4908 8.8067 8.8067 10.2675 10.2675 k = 0.1233 0.0712-0.0000 ( 1193 PWs) bands (ev): -20.7456 -20.7456 -7.3265 -7.3265 -6.8586 -6.8586 -6.5706 -6.5706 -6.0624 -6.0624 2.9666 2.9666 3.5350 3.5350 4.4499 4.4499 7.9755 7.9755 8.5197 8.5197 8.7880 8.7880 10.1860 10.1860 k = 0.1301 0.0751-0.0000 ( 1193 PWs) bands (ev): -20.7184 -20.7184 -7.2945 -7.2945 -6.8097 -6.8097 -6.7281 -6.7281 -6.1709 -6.1709 3.0907 3.0907 3.7385 3.7385 4.4792 4.4792 7.9122 7.9122 8.5658 8.5658 8.7685 8.7685 10.0996 10.0996 k = 0.1370 0.0791-0.0000 ( 1193 PWs) bands (ev): -20.6897 -20.6897 -7.2613 -7.2613 -6.8875 -6.8875 -6.7580 -6.7580 -6.2800 -6.2800 3.2140 3.2140 3.9476 3.9476 4.5099 4.5099 7.8371 7.8371 8.6243 8.6243 8.7484 8.7484 10.0086 10.0086 k = 0.1438 0.0830-0.0000 ( 1195 PWs) bands (ev): -20.6596 -20.6596 -7.2278 -7.2278 -7.0470 -7.0470 -6.7039 -6.7039 -6.3893 -6.3893 3.3360 3.3360 4.1620 4.1620 4.5418 4.5418 7.7535 7.7535 8.6920 8.6920 8.7276 8.7276 9.9127 9.9127 k = 0.1507 0.0870-0.0000 ( 1199 PWs) bands (ev): -20.6282 -20.6282 -7.2296 -7.2296 -7.1712 -7.1712 -6.6473 -6.6473 -6.4986 -6.4986 3.4562 3.4562 4.3813 4.3813 4.5751 4.5751 7.6635 7.6635 8.7057 8.7057 8.7675 8.7675 9.8122 9.8122 k = 0.1575 0.0910-0.0000 ( 1199 PWs) bands (ev): -20.5955 -20.5955 -7.3806 -7.3806 -7.1456 -7.1456 -6.6081 -6.6081 -6.5875 -6.5875 3.5743 3.5743 4.6052 4.6052 4.6098 4.6098 7.5687 7.5687 8.6837 8.6837 8.8486 8.8486 9.7068 9.7068 k = 0.1644 0.0949-0.0000 ( 1199 PWs) bands (ev): -20.5613 -20.5613 -7.5439 -7.5439 -7.1069 -7.1069 -6.7163 -6.7163 -6.5261 -6.5261 3.6900 3.6900 4.6455 4.6455 4.8337 4.8337 7.4697 7.4697 8.6610 8.6610 8.9349 8.9349 9.5968 9.5968 k = 0.1712 0.0989-0.0000 ( 1203 PWs) bands (ev): -20.5259 -20.5259 -7.7086 -7.7086 -7.0659 -7.0659 -6.8242 -6.8242 -6.4618 -6.4618 3.8030 3.8030 4.6824 4.6824 5.0663 5.0663 7.3671 7.3671 8.6378 8.6378 9.0260 9.0260 9.4820 9.4820 k = 0.1781 0.1028-0.0000 ( 1203 PWs) bands (ev): -20.4892 -20.4892 -7.8738 -7.8738 -7.0233 -7.0233 -6.9312 -6.9312 -6.3950 -6.3950 3.9131 3.9131 4.7205 4.7205 5.3030 5.3030 7.2616 7.2616 8.6142 8.6142 9.1212 9.1212 9.3625 9.3625 k = 0.1849 0.1068-0.0000 ( 1203 PWs) bands (ev): -20.4512 -20.4512 -8.0392 -8.0392 -7.0372 -7.0372 -6.9791 -6.9791 -6.3257 -6.3257 4.0202 4.0202 4.7596 4.7596 5.5435 5.5435 7.1534 7.1534 8.5902 8.5902 9.2201 9.2201 9.2386 9.2386 k = 0.1918 0.1107-0.0000 ( 1199 PWs) bands (ev): -20.4119 -20.4119 -8.2044 -8.2044 -7.1420 -7.1420 -6.9335 -6.9335 -6.2538 -6.2538 4.1240 4.1240 4.7998 4.7998 5.7877 5.7877 7.0430 7.0430 8.5659 8.5659 9.1096 9.1096 9.3232 9.3232 k = 0.1986 0.1147-0.0000 ( 1203 PWs) bands (ev): -20.3714 -20.3714 -8.3694 -8.3694 -7.2456 -7.2456 -6.8866 -6.8866 -6.1795 -6.1795 4.2246 4.2246 4.8409 4.8409 6.0353 6.0353 6.9304 6.9304 8.5412 8.5412 8.9762 8.9762 9.4292 9.4292 k = 0.2055 0.1186-0.0000 ( 1205 PWs) bands (ev): -20.3297 -20.3297 -8.5340 -8.5340 -7.3477 -7.3477 -6.8384 -6.8384 -6.1028 -6.1028 4.3218 4.3218 4.8828 4.8828 6.2862 6.2862 6.8160 6.8160 8.5164 8.5164 8.8382 8.8382 9.5382 9.5382 k = 0.2123 0.1226-0.0000 ( 1205 PWs) bands (ev): -20.2868 -20.2868 -8.6979 -8.6979 -7.4483 -7.4483 -6.7889 -6.7889 -6.0237 -6.0237 4.4156 4.4156 4.9256 4.9256 6.5403 6.5403 6.7001 6.7001 8.4913 8.4913 8.6961 8.6961 9.6500 9.6500 k = 0.2192 0.1265-0.0000 ( 1205 PWs) bands (ev): -20.2427 -20.2427 -8.8611 -8.8611 -7.5473 -7.5473 -6.7383 -6.7383 -5.9422 -5.9422 4.5060 4.5060 4.9691 4.9691 6.5829 6.5829 6.7975 6.7975 8.4661 8.4661 8.5497 8.5497 9.7641 9.7641 k = 0.2260 0.1305-0.0000 ( 1203 PWs) bands (ev): -20.1976 -20.1976 -9.0233 -9.0233 -7.6446 -7.6446 -6.6865 -6.6865 -5.8583 -5.8583 4.5929 4.5929 5.0132 5.0132 6.4645 6.4645 7.0576 7.0576 8.3990 8.3990 8.4409 8.4409 9.8806 9.8806 k = 0.2329 0.1345-0.0000 ( 1203 PWs) bands (ev): -20.1513 -20.1513 -9.1844 -9.1844 -7.7401 -7.7401 -6.6336 -6.6336 -5.7721 -5.7721 4.6765 4.6765 5.0579 5.0579 6.3452 6.3452 7.3204 7.3204 8.2446 8.2446 8.4156 8.4156 9.9989 9.9989 k = 0.2397 0.1384-0.0000 ( 1199 PWs) bands (ev): -20.1041 -20.1041 -9.3444 -9.3444 -7.8337 -7.8337 -6.5798 -6.5798 -5.6835 -5.6835 4.7567 4.7567 5.1033 5.1033 6.2252 6.2252 7.5858 7.5858 8.0865 8.0865 8.3902 8.3902 10.1191 10.1191 k = 0.2466 0.1424-0.0000 ( 1203 PWs) bands (ev): -20.0558 -20.0558 -9.5032 -9.5032 -7.9255 -7.9255 -6.5249 -6.5249 -5.5927 -5.5927 4.8335 4.8335 5.1488 5.1488 6.1046 6.1046 7.8535 7.8535 7.9249 7.9249 8.3649 8.3649 10.2407 10.2407 k = 0.2534 0.1463-0.0000 ( 1205 PWs) bands (ev): -20.0065 -20.0065 -9.6605 -9.6605 -8.0152 -8.0152 -6.4692 -6.4692 -5.4997 -5.4997 4.9070 4.9070 5.1946 5.1946 5.9838 5.9838 7.7597 7.7597 8.1239 8.1239 8.3399 8.3399 10.3635 10.3635 k = 0.2603 0.1503-0.0000 ( 1209 PWs) bands (ev): -19.9564 -19.9564 -9.8163 -9.8163 -8.1030 -8.1030 -6.4127 -6.4127 -5.4045 -5.4045 4.9772 4.9772 5.2405 5.2405 5.8631 5.8631 7.5916 7.5916 8.3134 8.3134 8.3979 8.3979 10.4875 10.4875 k = 0.2671 0.1542-0.0000 ( 1211 PWs) bands (ev): -19.9053 -19.9053 -9.9704 -9.9704 -8.1886 -8.1886 -6.3554 -6.3554 -5.3071 -5.3071 5.0440 5.0440 5.2863 5.2863 5.7427 5.7427 7.4211 7.4211 8.2892 8.2892 8.6720 8.6720 10.6124 10.6124 k = 0.2740 0.1582-0.0000 ( 1211 PWs) bands (ev): -19.8535 -19.8535 -10.1228 -10.1228 -8.2721 -8.2721 -6.2975 -6.2975 -5.2076 -5.2076 5.1070 5.1070 5.3318 5.3318 5.6234 5.6234 7.2483 7.2483 8.2646 8.2646 8.9486 8.9486 10.7380 10.7380 k = 0.2808 0.1621-0.0000 ( 1211 PWs) bands (ev): -19.8010 -19.8010 -10.2733 -10.2733 -8.3535 -8.3535 -6.2390 -6.2390 -5.1060 -5.1060 5.1651 5.1651 5.3765 5.3765 5.5066 5.5066 7.0738 7.0738 8.2402 8.2402 9.2272 9.2272 10.8643 10.8643 k = 0.2877 0.1661-0.0000 ( 1209 PWs) bands (ev): -19.7477 -19.7477 -10.4218 -10.4218 -8.4326 -8.4326 -6.1800 -6.1800 -5.0025 -5.0025 5.2123 5.2123 5.3971 5.3971 5.4216 5.4216 6.8982 6.8982 8.2161 8.2161 9.5075 9.5075 10.9910 10.9910 k = 0.2945 0.1700-0.0000 ( 1205 PWs) bands (ev): -19.6938 -19.6938 -10.5683 -10.5683 -8.5094 -8.5094 -6.1206 -6.1206 -4.8970 -4.8970 5.2081 5.2081 5.3394 5.3394 5.4627 5.4627 6.7224 6.7224 8.1924 8.1924 9.7895 9.7895 11.1181 11.1181 k = 0.3014 0.1740-0.0000 ( 1209 PWs) bands (ev): -19.6394 -19.6394 -10.7126 -10.7126 -8.5840 -8.5840 -6.0609 -6.0609 -4.7897 -4.7897 5.1180 5.1180 5.3649 5.3649 5.5015 5.5015 6.5478 6.5478 8.1690 8.1690 10.0728 10.0728 11.2452 11.2452 k = 0.3082 0.1780-0.0000 ( 1215 PWs) bands (ev): -19.5845 -19.5845 -10.8545 -10.8545 -8.6563 -8.6563 -6.0010 -6.0010 -4.6807 -4.6807 5.0071 5.0071 5.4096 5.4096 5.5351 5.5351 6.3769 6.3769 8.1460 8.1460 10.3573 10.3573 11.3724 11.3724 k = 0.3151 0.1819-0.0000 ( 1215 PWs) bands (ev): -19.5292 -19.5292 -10.9940 -10.9940 -8.7262 -8.7262 -5.9411 -5.9411 -4.5699 -4.5699 4.8935 4.8935 5.4561 5.4561 5.5583 5.5583 6.2152 6.2152 8.1236 8.1236 10.6429 10.6429 11.4997 11.4997 k = 0.3219 0.1859-0.0000 ( 1215 PWs) bands (ev): -19.4736 -19.4736 -11.1310 -11.1310 -8.7938 -8.7938 -5.8812 -5.8812 -4.4576 -4.4576 4.7800 4.7800 5.5016 5.5016 5.5600 5.5600 6.0737 6.0737 8.1016 8.1016 10.9294 10.9294 11.6269 11.6269 k = 0.3288 0.1898-0.0000 ( 1213 PWs) bands (ev): -19.4179 -19.4179 -11.2652 -11.2652 -8.8590 -8.8590 -5.8215 -5.8215 -4.3438 -4.3438 4.6677 4.6677 5.5193 5.5193 5.5455 5.5455 5.9738 5.9738 8.0801 8.0801 11.2165 11.2165 11.7539 11.7539 k = 0.3356 0.1938-0.0000 ( 1213 PWs) bands (ev): -19.3620 -19.3620 -11.3966 -11.3966 -8.9217 -8.9217 -5.7621 -5.7621 -4.2286 -4.2286 4.5568 4.5568 5.4215 5.4215 5.5875 5.5875 5.9303 5.9303 8.0593 8.0593 11.5041 11.5041 11.8806 11.8806 k = 0.3425 0.1977-0.0000 ( 1212 PWs) bands (ev): -19.3063 -19.3063 -11.5250 -11.5250 -8.9821 -8.9821 -5.7031 -5.7031 -4.1123 -4.1123 4.4479 4.4479 5.2811 5.2811 5.6275 5.6275 5.9289 5.9289 8.0390 8.0390 11.7918 11.7918 12.0069 12.0069 k = 0.3493 0.2017-0.0000 ( 1212 PWs) bands (ev): -19.2507 -19.2507 -11.6503 -11.6503 -9.0399 -9.0399 -5.6447 -5.6447 -3.9949 -3.9949 4.3411 4.3411 5.1196 5.1196 5.6655 5.6655 5.9484 5.9484 8.0194 8.0194 12.0792 12.0792 12.1329 12.1329 k = 0.3562 0.2056-0.0000 ( 1212 PWs) bands (ev): -19.1954 -19.1954 -11.7723 -11.7723 -9.0953 -9.0953 -5.5871 -5.5871 -3.8766 -3.8766 4.2368 4.2368 4.9487 4.9487 5.7016 5.7016 5.9773 5.9773 8.0004 8.0004 12.2579 12.2579 12.3666 12.3666 k = 0.3630 0.2096-0.0000 ( 1212 PWs) bands (ev): -19.1405 -19.1405 -11.8909 -11.8909 -9.1483 -9.1483 -5.5303 -5.5303 -3.7577 -3.7577 4.1351 4.1351 4.7740 4.7740 5.7358 5.7358 6.0104 6.0104 7.9821 7.9821 12.3511 12.3511 12.3827 12.3827 k = 0.3699 0.2135-0.0000 ( 1216 PWs) bands (ev): -19.0863 -19.0863 -12.0058 -12.0058 -9.1987 -9.1987 -5.4746 -5.4746 -3.6383 -3.6383 4.0362 4.0362 4.5981 4.5981 5.7681 5.7681 6.0453 6.0453 7.9646 7.9646 12.2836 12.2836 12.5061 12.5061 k = 0.3767 0.2175-0.0000 ( 1212 PWs) bands (ev): -19.0329 -19.0329 -12.1169 -12.1169 -9.2466 -9.2466 -5.4202 -5.4202 -3.5188 -3.5188 3.9405 3.9405 4.4225 4.4225 5.7986 5.7986 6.0807 6.0807 7.9478 7.9478 12.2200 12.2200 12.6288 12.6288 k = 0.3836 0.2214-0.0000 ( 1212 PWs) bands (ev): -18.9804 -18.9804 -12.2240 -12.2240 -9.2919 -9.2919 -5.3672 -5.3672 -3.3994 -3.3994 3.8482 3.8482 4.2484 4.2484 5.8272 5.8272 6.1159 6.1159 7.9318 7.9318 12.1602 12.1602 12.7501 12.7501 k = 0.3904 0.2254-0.0000 ( 1212 PWs) bands (ev): -18.9292 -18.9292 -12.3269 -12.3269 -9.3348 -9.3348 -5.3158 -5.3158 -3.2805 -3.2805 3.7595 3.7595 4.0766 4.0766 5.8540 5.8540 6.1504 6.1504 7.9165 7.9165 12.1042 12.1042 12.8700 12.8700 k = 0.3973 0.2294-0.0000 ( 1214 PWs) bands (ev): -18.8793 -18.8793 -12.4253 -12.4253 -9.3751 -9.3751 -5.2662 -5.2662 -3.1625 -3.1625 3.6746 3.6746 3.9079 3.9079 5.8791 5.8791 6.1838 6.1838 7.9020 7.9020 12.0519 12.0519 12.9881 12.9881 k = 0.4041 0.2333-0.0000 ( 1214 PWs) bands (ev): -18.8309 -18.8309 -12.5191 -12.5191 -9.4128 -9.4128 -5.2185 -5.2185 -3.0458 -3.0458 3.5938 3.5938 3.7430 3.7430 5.9024 5.9024 6.2159 6.2159 7.8884 7.8884 12.0032 12.0032 13.1041 13.1041 k = 0.4110 0.2373-0.0000 ( 1214 PWs) bands (ev): -18.7845 -18.7845 -12.6079 -12.6079 -9.4480 -9.4480 -5.1731 -5.1731 -2.9310 -2.9310 3.5173 3.5173 3.5827 3.5827 5.9241 5.9241 6.2466 6.2466 7.8757 7.8757 11.9581 11.9581 13.2177 13.2177 k = 0.4178 0.2412-0.0000 ( 1222 PWs) bands (ev): -18.7400 -18.7400 -12.6916 -12.6916 -9.4806 -9.4806 -5.1300 -5.1300 -2.8187 -2.8187 3.4276 3.4276 3.4453 3.4453 5.9440 5.9440 6.2755 6.2755 7.8637 7.8637 11.9165 11.9165 13.3282 13.3282 k = 0.4247 0.2452-0.0000 ( 1218 PWs) bands (ev): -18.6979 -18.6979 -12.7699 -12.7699 -9.5106 -9.5106 -5.0895 -5.0895 -2.7095 -2.7095 3.2787 3.2787 3.3781 3.3781 5.9623 5.9623 6.3026 6.3026 7.8528 7.8528 11.8784 11.8784 13.4354 13.4354 k = 0.4315 0.2491-0.0000 ( 1218 PWs) bands (ev): -18.6583 -18.6583 -12.8425 -12.8425 -9.5381 -9.5381 -5.0517 -5.0517 -2.6043 -2.6043 3.1369 3.1369 3.3159 3.3159 5.9789 5.9789 6.3278 6.3278 7.8427 7.8427 11.8438 11.8438 13.5384 13.5384 k = 0.4384 0.2531-0.0000 ( 1218 PWs) bands (ev): -18.6215 -18.6215 -12.9092 -12.9092 -9.5629 -9.5629 -5.0168 -5.0168 -2.5039 -2.5039 3.0031 3.0031 3.2589 3.2589 5.9938 5.9938 6.3509 6.3509 7.8335 7.8335 11.8126 11.8126 13.6366 13.6366 k = 0.4452 0.2570-0.0000 ( 1218 PWs) bands (ev): -18.5877 -18.5877 -12.9697 -12.9697 -9.5851 -9.5851 -4.9851 -4.9851 -2.4093 -2.4093 2.8784 2.8784 3.2072 3.2072 6.0072 6.0072 6.3718 6.3718 7.8253 7.8253 11.7847 11.7847 13.7291 13.7291 k = 0.4521 0.2610-0.0000 ( 1218 PWs) bands (ev): -18.5573 -18.5573 -13.0238 -13.0238 -9.6047 -9.6047 -4.9567 -4.9567 -2.3217 -2.3217 2.7641 2.7641 3.1611 3.1611 6.0190 6.0190 6.3905 6.3905 7.8180 7.8180 11.7602 11.7602 13.8148 13.8148 k = 0.4589 0.2649-0.0000 ( 1220 PWs) bands (ev): -18.5303 -18.5303 -13.0712 -13.0712 -9.6218 -9.6218 -4.9317 -4.9317 -2.2421 -2.2421 2.6612 2.6612 3.1208 3.1208 6.0291 6.0291 6.4069 6.4069 7.8116 7.8116 11.7391 11.7391 13.8927 13.8927 k = 0.4658 0.2689-0.0000 ( 1216 PWs) bands (ev): -18.5071 -18.5071 -13.1117 -13.1117 -9.6362 -9.6362 -4.9103 -4.9103 -2.1719 -2.1719 2.5712 2.5712 3.0864 3.0864 6.0377 6.0377 6.4209 6.4209 7.8063 7.8063 11.7212 11.7212 13.9617 13.9617 k = 0.4726 0.2729-0.0000 ( 1214 PWs) bands (ev): -18.4878 -18.4878 -13.1451 -13.1451 -9.6480 -9.6480 -4.8926 -4.8926 -2.1122 -2.1122 2.4954 2.4954 3.0581 3.0581 6.0448 6.0448 6.4324 6.4324 7.8019 7.8019 11.7066 11.7066 14.0206 14.0206 k = 0.4795 0.2768-0.0000 ( 1218 PWs) bands (ev): -18.4727 -18.4727 -13.1713 -13.1713 -9.6572 -9.6572 -4.8788 -4.8788 -2.0644 -2.0644 2.4348 2.4348 3.0359 3.0359 6.0502 6.0502 6.4414 6.4414 7.7983 7.7983 11.6952 11.6952 14.0678 14.0678 k = 0.4863 0.2808-0.0000 ( 1218 PWs) bands (ev): -18.4617 -18.4617 -13.1902 -13.1902 -9.6637 -9.6637 -4.8688 -4.8688 -2.0293 -2.0293 2.3907 2.3907 3.0200 3.0200 6.0541 6.0541 6.4479 6.4479 7.7959 7.7959 11.6871 11.6871 14.1026 14.1026 k = 0.4932 0.2847-0.0000 ( 1218 PWs) bands (ev): -18.4551 -18.4551 -13.2015 -13.2015 -9.6676 -9.6676 -4.8628 -4.8628 -2.0080 -2.0080 2.3639 2.3639 3.0104 3.0104 6.0564 6.0564 6.4517 6.4517 7.7944 7.7944 11.6823 11.6823 14.1239 14.1239 k = 0.5000 0.2887-0.0000 ( 1218 PWs) bands (ev): -18.4529 -18.4529 -13.2053 -13.2053 -9.6690 -9.6690 -4.8608 -4.8608 -2.0008 -2.0008 2.3549 2.3549 3.0073 3.0073 6.0572 6.0572 6.4530 6.4530 7.7939 7.7939 11.6807 11.6807 14.1310 14.1310 k = 0.5000 0.2887-0.0000 ( 1218 PWs) bands (ev): -18.4529 -18.4529 -13.2053 -13.2053 -9.6690 -9.6690 -4.8608 -4.8608 -2.0008 -2.0008 2.3549 2.3549 3.0073 3.0073 6.0572 6.0572 6.4530 6.4530 7.7939 7.7939 11.6807 11.6807 14.1310 14.1310 k = 0.4960 0.2955-0.0000 ( 1219 PWs) bands (ev): -18.4524 -18.4524 -13.2048 -13.2048 -9.6717 -9.6717 -4.8603 -4.8603 -1.9998 -1.9998 2.3563 2.3563 3.0082 3.0082 6.0620 6.0620 6.4534 6.4534 7.7906 7.7906 11.6712 11.6712 14.1303 14.1303 k = 0.4921 0.3024-0.0000 ( 1219 PWs) bands (ev): -18.4510 -18.4510 -13.2032 -13.2032 -9.6799 -9.6799 -4.8590 -4.8590 -1.9970 -1.9970 2.3606 2.3606 3.0111 3.0111 6.0765 6.0765 6.4544 6.4544 7.7808 7.7808 11.6430 11.6430 14.1282 14.1282 k = 0.4881 0.3093-0.0000 ( 1215 PWs) bands (ev): -18.4487 -18.4487 -13.2006 -13.2006 -9.6936 -9.6936 -4.8567 -4.8567 -1.9923 -1.9923 2.3678 2.3678 3.0160 3.0160 6.1007 6.1007 6.4561 6.4561 7.7647 7.7647 11.5963 11.5963 14.1248 14.1248 k = 0.4841 0.3162-0.0000 ( 1215 PWs) bands (ev): -18.4454 -18.4454 -13.1970 -13.1970 -9.7126 -9.7126 -4.8534 -4.8534 -1.9857 -1.9857 2.3779 2.3779 3.0228 3.0228 6.1344 6.1344 6.4585 6.4585 7.7421 7.7421 11.5319 11.5319 14.1199 14.1199 k = 0.4802 0.3230-0.0000 ( 1219 PWs) bands (ev): -18.4411 -18.4411 -13.1924 -13.1924 -9.7369 -9.7369 -4.8493 -4.8493 -1.9773 -1.9773 2.3908 2.3908 3.0315 3.0315 6.1775 6.1775 6.4614 6.4614 7.7131 7.7131 11.4504 11.4504 14.1136 14.1136 k = 0.4762 0.3299-0.0000 ( 1219 PWs) bands (ev): -18.4360 -18.4360 -13.1867 -13.1867 -9.7663 -9.7663 -4.8443 -4.8443 -1.9670 -1.9670 2.4066 2.4066 3.0422 3.0422 6.2299 6.2299 6.4651 6.4651 7.6782 7.6782 11.3530 11.3530 14.1059 14.1059 k = 0.4722 0.3368-0.0000 ( 1221 PWs) bands (ev): -18.4299 -18.4299 -13.1799 -13.1799 -9.8008 -9.8008 -4.8384 -4.8384 -1.9549 -1.9549 2.4253 2.4253 3.0548 3.0548 6.2914 6.2914 6.4694 6.4694 7.6372 7.6372 11.2406 11.2406 14.0968 14.0968 k = 0.4683 0.3437-0.0000 ( 1221 PWs) bands (ev): -18.4230 -18.4230 -13.1722 -13.1722 -9.8401 -9.8401 -4.8317 -4.8317 -1.9409 -1.9409 2.4468 2.4468 3.0693 3.0693 6.3619 6.3619 6.4744 6.4744 7.5907 7.5907 11.1144 11.1144 14.0863 14.0863 k = 0.4643 0.3505-0.0000 ( 1225 PWs) bands (ev): -18.4152 -18.4152 -13.1633 -13.1633 -9.8840 -9.8840 -4.8241 -4.8241 -1.9252 -1.9252 2.4712 2.4712 3.0857 3.0857 6.4410 6.4410 6.4799 6.4799 7.5386 7.5386 10.9756 10.9756 14.0743 14.0743 k = 0.4603 0.3574-0.0000 ( 1221 PWs) bands (ev): -18.4065 -18.4065 -13.1535 -13.1535 -9.9323 -9.9323 -4.8158 -4.8158 -1.9077 -1.9077 2.4985 2.4985 3.1041 3.1041 6.4860 6.4860 6.5285 6.5285 7.4817 7.4817 10.8254 10.8254 14.0611 14.0611 k = 0.4563 0.3643-0.0000 ( 1225 PWs) bands (ev): -18.3970 -18.3970 -13.1426 -13.1426 -9.9849 -9.9849 -4.8066 -4.8066 -1.8885 -1.8885 2.5287 2.5287 3.1243 3.1243 6.4927 6.4927 6.6240 6.6240 7.4199 7.4199 10.6651 10.6651 14.0463 14.0463 k = 0.4524 0.3712-0.0000 ( 1219 PWs) bands (ev): -18.3867 -18.3867 -13.1306 -13.1306 -10.0414 -10.0414 -4.7967 -4.7967 -1.8676 -1.8676 2.5617 2.5617 3.1464 3.1464 6.4999 6.4999 6.7268 6.7268 7.3542 7.3542 10.4956 10.4956 14.0303 14.0303 k = 0.4484 0.3780-0.0000 ( 1219 PWs) bands (ev): -18.3757 -18.3757 -13.1176 -13.1176 -10.1017 -10.1017 -4.7861 -4.7861 -1.8451 -1.8451 2.5976 2.5976 3.1705 3.1705 6.5076 6.5076 6.8357 6.8357 7.2856 7.2856 10.3182 10.3182 14.0128 14.0128 k = 0.4444 0.3849-0.0000 ( 1219 PWs) bands (ev): -18.3639 -18.3639 -13.1035 -13.1035 -10.1656 -10.1656 -4.7747 -4.7747 -1.8209 -1.8209 2.6363 2.6363 3.1963 3.1963 6.5158 6.5158 6.9466 6.9466 7.2183 7.2183 10.1339 10.1339 13.9939 13.9939 k = 0.4405 0.3918-0.0000 ( 1219 PWs) bands (ev): -18.3514 -18.3514 -13.0883 -13.0883 -10.2326 -10.2326 -4.7628 -4.7628 -1.7952 -1.7952 2.6779 2.6779 3.2240 3.2240 6.5245 6.5245 7.0323 7.0323 7.1796 7.1796 9.9436 9.9436 13.9736 13.9736 k = 0.4365 0.3986-0.0000 ( 1217 PWs) bands (ev): -18.3382 -18.3382 -13.0720 -13.0720 -10.3026 -10.3026 -4.7502 -4.7502 -1.7680 -1.7680 2.7224 2.7224 3.2536 3.2536 6.5336 6.5336 7.0089 7.0089 7.2533 7.2533 9.7483 9.7483 13.9519 13.9519 k = 0.4325 0.4055-0.0000 ( 1217 PWs) bands (ev): -18.3244 -18.3244 -13.0547 -13.0547 -10.3752 -10.3752 -4.7371 -4.7371 -1.7394 -1.7394 2.7698 2.7698 3.2850 3.2850 6.5429 6.5429 6.9338 6.9338 7.3820 7.3820 9.5487 9.5487 13.9288 13.9288 k = 0.4286 0.4124-0.0000 ( 1221 PWs) bands (ev): -18.3100 -18.3100 -13.0363 -13.0363 -10.4503 -10.4503 -4.7235 -4.7235 -1.7094 -1.7094 2.8200 2.8200 3.3182 3.3182 6.5526 6.5526 6.8478 6.8478 7.5246 7.5246 9.3458 9.3458 13.9043 13.9043 k = 0.4246 0.4193-0.0000 ( 1221 PWs) bands (ev): -18.2951 -18.2951 -13.0167 -13.0167 -10.5274 -10.5274 -4.7094 -4.7094 -1.6782 -1.6782 2.8730 2.8730 3.3533 3.3533 6.5624 6.5624 6.7574 6.7574 7.6753 7.6753 9.1401 9.1401 13.8784 13.8784 k = 0.4206 0.4261-0.0000 ( 1221 PWs) bands (ev): -18.2798 -18.2798 -12.9961 -12.9961 -10.6064 -10.6064 -4.6949 -4.6949 -1.6458 -1.6458 2.9289 2.9289 3.3901 3.3901 6.5723 6.5723 6.6640 6.6640 7.8323 7.8323 8.9324 8.9324 13.8511 13.8511 k = 0.4167 0.4330-0.0000 ( 1223 PWs) bands (ev): -18.2640 -18.2640 -12.9744 -12.9744 -10.6870 -10.6870 -4.6802 -4.6802 -1.6124 -1.6124 2.9877 2.9877 3.4287 3.4287 6.5648 6.5648 6.5857 6.5857 7.9949 7.9949 8.7232 8.7232 13.8224 13.8224 k = 0.4127 0.4399-0.0000 ( 1227 PWs) bands (ev): -18.2479 -18.2479 -12.9515 -12.9515 -10.7688 -10.7688 -4.6651 -4.6651 -1.5779 -1.5779 3.0493 3.0493 3.4689 3.4689 6.4689 6.4689 6.5939 6.5939 8.1626 8.1626 8.5134 8.5134 13.7921 13.7921 k = 0.4087 0.4468-0.0000 ( 1227 PWs) bands (ev): -18.2315 -18.2315 -12.9276 -12.9276 -10.8516 -10.8516 -4.6498 -4.6498 -1.5426 -1.5426 3.1138 3.1138 3.5110 3.5110 6.3696 6.3696 6.6041 6.6041 8.3032 8.3032 8.3348 8.3348 13.7605 13.7605 k = 0.4048 0.4536-0.0000 ( 1231 PWs) bands (ev): -18.2150 -18.2150 -12.9025 -12.9025 -10.9351 -10.9351 -4.6345 -4.6345 -1.5065 -1.5065 3.1811 3.1811 3.5547 3.5547 6.2689 6.2689 6.6144 6.6144 8.0934 8.0934 8.5109 8.5109 13.7274 13.7274 k = 0.4008 0.4605-0.0000 ( 1235 PWs) bands (ev): -18.1983 -18.1983 -12.8762 -12.8762 -11.0191 -11.0191 -4.6191 -4.6191 -1.4699 -1.4699 3.2512 3.2512 3.6001 3.6001 6.1675 6.1675 6.6245 6.6245 7.8845 7.8845 8.6907 8.6907 13.6927 13.6927 k = 0.3968 0.4674-0.0000 ( 1235 PWs) bands (ev): -18.1815 -18.1815 -12.8488 -12.8488 -11.1031 -11.1031 -4.6037 -4.6037 -1.4328 -1.4328 3.3242 3.3242 3.6472 3.6472 6.0656 6.0656 6.6342 6.6342 7.6771 7.6771 8.8735 8.8735 13.6567 13.6567 k = 0.3929 0.4743-0.0000 ( 1235 PWs) bands (ev): -18.1649 -18.1649 -12.8203 -12.8203 -11.1870 -11.1870 -4.5884 -4.5884 -1.3956 -1.3956 3.4000 3.4000 3.6960 3.6960 5.9635 5.9635 6.6433 6.6433 7.4718 7.4718 9.0589 9.0589 13.6191 13.6191 k = 0.3889 0.4811-0.0000 ( 1231 PWs) bands (ev): -18.1484 -18.1484 -12.7906 -12.7906 -11.2706 -11.2706 -4.5734 -4.5734 -1.3582 -1.3582 3.4787 3.4787 3.7464 3.7464 5.8616 5.8616 6.6512 6.6512 7.2697 7.2697 9.2462 9.2462 13.5801 13.5801 k = 0.3849 0.4880-0.0000 ( 1229 PWs) bands (ev): -18.1321 -18.1321 -12.7596 -12.7596 -11.3534 -11.3534 -4.5586 -4.5586 -1.3210 -1.3210 3.5601 3.5601 3.7983 3.7983 5.7601 5.7601 6.6563 6.6563 7.0727 7.0727 9.4348 9.4348 13.5394 13.5394 k = 0.3810 0.4949-0.0000 ( 1229 PWs) bands (ev): -18.1162 -18.1162 -12.7276 -12.7276 -11.4353 -11.4353 -4.5443 -4.5443 -1.2843 -1.2843 3.6444 3.6444 3.8518 3.8518 5.6594 5.6594 6.6519 6.6519 6.8879 6.8879 9.6239 9.6239 13.4969 13.4969 k = 0.3770 0.5017-0.0000 ( 1225 PWs) bands (ev): -18.1009 -18.1009 -12.6943 -12.6943 -11.5160 -11.5160 -4.5305 -4.5305 -1.2482 -1.2482 3.7316 3.7316 3.9068 3.9068 5.5596 5.5596 6.5973 6.5973 6.7562 6.7562 9.8127 9.8127 13.4172 13.4172 k = 0.3730 0.5086-0.0000 ( 1225 PWs) bands (ev): -18.0861 -18.0861 -12.6598 -12.6598 -11.5951 -11.5951 -4.5172 -4.5172 -1.2131 -1.2131 3.8215 3.8215 3.9633 3.9633 5.4611 5.4611 6.4466 6.4466 6.7242 6.7242 10.0001 10.0001 13.3115 13.3115 k = 0.3690 0.5155-0.0000 ( 1229 PWs) bands (ev): -18.0721 -18.0721 -12.6241 -12.6241 -11.6725 -11.6725 -4.5047 -4.5047 -1.1793 -1.1793 3.9143 3.9143 4.0212 4.0212 5.3641 5.3641 6.2692 6.2692 6.7226 6.7226 10.1848 10.1848 13.2092 13.2093 k = 0.3651 0.5224-0.0000 ( 1229 PWs) bands (ev): -18.0589 -18.0589 -12.5872 -12.5872 -11.7479 -11.7479 -4.4931 -4.4931 -1.1472 -1.1472 4.0098 4.0098 4.0806 4.0806 5.2689 5.2689 6.0907 6.0907 6.7264 6.7264 10.3652 10.3652 13.1120 13.1120 k = 0.3611 0.5292-0.0000 ( 1225 PWs) bands (ev): -18.0468 -18.0468 -12.5490 -12.5490 -11.8210 -11.8210 -4.4823 -4.4823 -1.1170 -1.1170 4.1082 4.1082 4.1414 4.1414 5.1759 5.1759 5.9156 5.9156 6.7316 6.7316 10.5391 10.5391 13.0213 13.0213 k = 0.3571 0.5361-0.0000 ( 1221 PWs) bands (ev): -18.0357 -18.0357 -12.5095 -12.5095 -11.8914 -11.8914 -4.4727 -4.4727 -1.0893 -1.0893 4.2036 4.2036 4.2094 4.2094 5.0852 5.0852 5.7455 5.7455 6.7369 6.7369 10.7038 10.7038 12.9395 12.9395 k = 0.3532 0.5430-0.0000 ( 1213 PWs) bands (ev): -18.0260 -18.0260 -12.4688 -12.4688 -11.9591 -11.9591 -4.4641 -4.4641 -1.0645 -1.0645 4.2671 4.2671 4.3134 4.3134 4.9971 4.9971 5.5815 5.5815 6.7419 6.7419 10.8556 10.8556 12.8699 12.8699 k = 0.3492 0.5499-0.0000 ( 1213 PWs) bands (ev): -18.0178 -18.0178 -12.4269 -12.4269 -12.0237 -12.0237 -4.4569 -4.4569 -1.0431 -1.0431 4.3319 4.3319 4.4201 4.4201 4.9117 4.9117 5.4241 5.4241 6.7461 6.7461 10.9897 10.9897 12.8163 12.8163 k = 0.3452 0.5567-0.0000 ( 1209 PWs) bands (ev): -18.0111 -18.0111 -12.3837 -12.3837 -12.0850 -12.0850 -4.4511 -4.4511 -1.0255 -1.0255 4.3978 4.3978 4.5296 4.5296 4.8295 4.8295 5.2741 5.2741 6.7497 6.7497 11.1008 11.1008 12.7840 12.7840 k = 0.3413 0.5636-0.0000 ( 1203 PWs) bands (ev): -18.0061 -18.0061 -12.3393 -12.3393 -12.1426 -12.1426 -4.4468 -4.4468 -1.0122 -1.0122 4.4650 4.4650 4.6419 4.6419 4.7505 4.7505 5.1322 5.1322 6.7524 6.7524 11.1829 11.1829 12.7778 12.7778 k = 0.3373 0.5705-0.0000 ( 1203 PWs) bands (ev): -18.0031 -18.0031 -12.2935 -12.2935 -12.1965 -12.1965 -4.4442 -4.4442 -1.0039 -1.0039 4.5332 4.5332 4.6750 4.6750 4.7570 4.7570 4.9989 4.9989 6.7540 6.7540 11.2323 11.2323 12.8006 12.8006 k = 0.3333 0.5774-0.0000 ( 1203 PWs) bands (ev): -18.0020 -18.0020 -12.2487 -12.2487 -12.2441 -12.2441 -4.4432 -4.4432 -1.0010 -1.0010 4.5972 4.5972 4.6086 4.6086 4.8749 4.8749 4.8749 4.8749 6.7546 6.7546 11.2482 11.2482 12.8485 12.8485 k = 0.3333 0.5774-0.0000 ( 1203 PWs) bands (ev): -18.0020 -18.0020 -12.2487 -12.2487 -12.2441 -12.2441 -4.4432 -4.4432 -1.0010 -1.0010 4.5972 4.5972 4.6086 4.6086 4.8749 4.8749 4.8749 4.8749 6.7546 6.7546 11.2482 11.2482 12.8485 12.8485 k = 0.3294 0.5705-0.0000 ( 1203 PWs) bands (ev): -18.0031 -18.0031 -12.2920 -12.2920 -12.1979 -12.1979 -4.4442 -4.4442 -1.0041 -1.0041 4.5347 4.5347 4.6736 4.6736 4.7607 4.7607 4.9955 4.9955 6.7540 6.7540 11.2338 11.2338 12.7860 12.7860 k = 0.3254 0.5636-0.0000 ( 1207 PWs) bands (ev): -18.0065 -18.0065 -12.3331 -12.3331 -12.1482 -12.1482 -4.4471 -4.4471 -1.0136 -1.0136 4.4708 4.4708 4.6568 4.6568 4.7450 4.7450 5.1188 5.1188 6.7522 6.7522 11.1946 11.1946 12.7171 12.7171 k = 0.3214 0.5567-0.0000 ( 1207 PWs) bands (ev): -18.0122 -18.0122 -12.3696 -12.3696 -12.0972 -12.0972 -4.4520 -4.4520 -1.0299 -1.0299 4.4111 4.4111 4.5638 4.5638 4.8175 4.8175 5.2449 5.2449 6.7491 6.7491 11.1362 11.1362 12.6458 12.6458 k = 0.3175 0.5499-0.0000 ( 1217 PWs) bands (ev): -18.0205 -18.0205 -12.4013 -12.4013 -12.0448 -12.0448 -4.4592 -4.4592 -1.0535 -1.0535 4.3557 4.3557 4.4820 4.4820 4.8909 4.8909 5.3737 5.3737 6.7446 6.7446 11.0637 11.0637 12.5719 12.5719 k = 0.3135 0.5430-0.0000 ( 1221 PWs) bands (ev): -18.0313 -18.0313 -12.4279 -12.4279 -11.9910 -11.9910 -4.4685 -4.4685 -1.0846 -1.0846 4.3049 4.3049 4.4118 4.4118 4.9651 4.9651 5.5052 5.5052 6.7386 6.7386 10.9809 10.9809 12.4955 12.4955 k = 0.3095 0.5361-0.0000 ( 1221 PWs) bands (ev): -18.0448 -18.0448 -12.4495 -12.4495 -11.9358 -11.9358 -4.4801 -4.4801 -1.1234 -1.1234 4.2589 4.2589 4.3534 4.3534 5.0402 5.0402 5.6395 5.6395 6.7313 6.7313 10.8907 10.8907 12.4167 12.4167 k = 0.3056 0.5292-0.0000 ( 1225 PWs) bands (ev): -18.0610 -18.0610 -12.4659 -12.4659 -11.8793 -11.8793 -4.4941 -4.4941 -1.1701 -1.1701 4.2177 4.2177 4.3069 4.3069 5.1160 5.1160 5.7764 5.7764 6.7225 6.7225 10.7951 10.7951 12.3352 12.3352 k = 0.3016 0.5224-0.0000 ( 1225 PWs) bands (ev): -18.0799 -18.0799 -12.4769 -12.4769 -11.8213 -11.8213 -4.5105 -4.5105 -1.2245 -1.2245 4.1814 4.1814 4.2723 4.2723 5.1926 5.1926 5.9160 5.9160 6.7122 6.7122 10.6954 10.6954 12.2511 12.2511 k = 0.2976 0.5155-0.0000 ( 1225 PWs) bands (ev): -18.1015 -18.1015 -12.4825 -12.4825 -11.7620 -11.7620 -4.5293 -4.5293 -1.2865 -1.2865 4.1501 4.1501 4.2493 4.2493 5.2697 5.2697 6.0584 6.0584 6.7003 6.7003 10.5927 10.5927 12.1642 12.1642 k = 0.2937 0.5086-0.0000 ( 1229 PWs) bands (ev): -18.1259 -18.1259 -12.4827 -12.4827 -11.7012 -11.7012 -4.5507 -4.5507 -1.3560 -1.3560 4.1238 4.1238 4.2379 4.2379 5.3475 5.3475 6.2033 6.2033 6.6868 6.6868 10.4877 10.4877 12.0745 12.0745 k = 0.2897 0.5017-0.0000 ( 1229 PWs) bands (ev): -18.1530 -18.1530 -12.4775 -12.4775 -11.6390 -11.6390 -4.5745 -4.5745 -1.4325 -1.4325 4.1027 4.1027 4.2376 4.2376 5.4258 5.4258 6.3510 6.3510 6.6717 6.6717 10.3811 10.3811 11.9819 11.9819 k = 0.2857 0.4949-0.0000 ( 1229 PWs) bands (ev): -18.1828 -18.1828 -12.4668 -12.4668 -11.5754 -11.5754 -4.6008 -4.6008 -1.5156 -1.5156 4.0868 4.0868 4.2481 4.2481 5.5046 5.5046 6.5013 6.5013 6.6550 6.6550 10.2732 10.2732 11.8864 11.8864 k = 0.2817 0.4880-0.0000 ( 1221 PWs) bands (ev): -18.2152 -18.2152 -12.4506 -12.4506 -11.5103 -11.5103 -4.6296 -4.6296 -1.6049 -1.6049 4.0762 4.0762 4.2688 4.2688 5.5838 5.5838 6.6368 6.6368 6.6542 6.6542 10.1644 10.1644 11.7878 11.7878 k = 0.2778 0.4811-0.0000 ( 1221 PWs) bands (ev): -18.2501 -18.2501 -12.4292 -12.4292 -11.4438 -11.4438 -4.6608 -4.6608 -1.6999 -1.6999 4.0706 4.0706 4.2992 4.2992 5.6633 5.6633 6.6169 6.6169 6.8098 6.8098 10.0548 10.0548 11.6863 11.6863 k = 0.2738 0.4743-0.0000 ( 1217 PWs) bands (ev): -18.2875 -18.2875 -12.4023 -12.4023 -11.3758 -11.3758 -4.6945 -4.6945 -1.8001 -1.8001 4.0703 4.0703 4.3387 4.3387 5.7431 5.7431 6.5954 6.5954 6.9679 6.9679 9.9447 9.9447 11.5816 11.5816 k = 0.2698 0.4674-0.0000 ( 1217 PWs) bands (ev): -18.3271 -18.3271 -12.3703 -12.3703 -11.3064 -11.3064 -4.7305 -4.7305 -1.9048 -1.9048 4.0751 4.0751 4.3868 4.3868 5.8230 5.8230 6.5723 6.5723 7.1286 7.1286 9.8342 9.8342 11.4738 11.4738 k = 0.2659 0.4605-0.0000 ( 1217 PWs) bands (ev): -18.3690 -18.3690 -12.3331 -12.3331 -11.2355 -11.2355 -4.7688 -4.7688 -2.0137 -2.0137 4.0850 4.0850 4.4428 4.4428 5.9031 5.9031 6.5478 6.5478 7.2919 7.2919 9.7234 9.7234 11.3628 11.3628 k = 0.2619 0.4536-0.0000 ( 1217 PWs) bands (ev): -18.4129 -18.4129 -12.2908 -12.2908 -11.1631 -11.1631 -4.8093 -4.8093 -2.1260 -2.1260 4.0999 4.0999 4.5062 4.5062 5.9832 5.9832 6.5217 6.5217 7.4578 7.4578 9.6124 9.6124 11.2486 11.2486 k = 0.2579 0.4468-0.0000 ( 1217 PWs) bands (ev): -18.4588 -18.4588 -12.2436 -12.2436 -11.0892 -11.0892 -4.8520 -4.8520 -2.2414 -2.2414 4.1198 4.1198 4.5764 4.5764 6.0634 6.0634 6.4943 6.4943 7.6261 7.6261 9.5012 9.5012 11.1311 11.1311 k = 0.2540 0.4399-0.0000 ( 1217 PWs) bands (ev): -18.5064 -18.5064 -12.1915 -12.1915 -11.0138 -11.0138 -4.8968 -4.8968 -2.3593 -2.3593 4.1446 4.1446 4.6529 4.6529 6.1434 6.1434 6.4655 6.4655 7.7970 7.7970 9.3899 9.3899 11.0104 11.0104 k = 0.2500 0.4330-0.0000 ( 1217 PWs) bands (ev): -18.5557 -18.5557 -12.1348 -12.1348 -10.9370 -10.9370 -4.9435 -4.9435 -2.4793 -2.4793 4.1741 4.1741 4.7350 4.7350 6.2233 6.2233 6.4356 6.4356 7.9704 7.9704 9.2786 9.2786 10.8865 10.8865 k = 0.2460 0.4261-0.0000 ( 1221 PWs) bands (ev): -18.6065 -18.6065 -12.0734 -12.0734 -10.8586 -10.8586 -4.9921 -4.9921 -2.6010 -2.6010 4.2083 4.2083 4.8222 4.8222 6.3028 6.3028 6.4048 6.4048 8.1462 8.1462 9.1672 9.1672 10.7592 10.7592 k = 0.2421 0.4193-0.0000 ( 1221 PWs) bands (ev): -18.6587 -18.6587 -12.0076 -12.0076 -10.7787 -10.7787 -5.0424 -5.0424 -2.7240 -2.7240 4.2472 4.2472 4.9140 4.9140 6.3692 6.3692 6.3860 6.3860 8.3245 8.3245 9.0557 9.0557 10.6287 10.6287 k = 0.2381 0.4124-0.0000 ( 1221 PWs) bands (ev): -18.7121 -18.7121 -11.9375 -11.9375 -10.6973 -10.6973 -5.0943 -5.0943 -2.8480 -2.8480 4.2904 4.2904 5.0097 5.0097 6.3396 6.3396 6.4621 6.4621 8.5052 8.5052 8.9443 8.9443 10.4950 10.4950 k = 0.2341 0.4055-0.0000 ( 1227 PWs) bands (ev): -18.7665 -18.7665 -11.8632 -11.8632 -10.6144 -10.6144 -5.1477 -5.1477 -2.9726 -2.9726 4.3379 4.3379 5.1086 5.1086 6.3070 6.3070 6.5405 6.5405 8.6883 8.6883 8.8327 8.8327 10.3579 10.3579 k = 0.2302 0.3986-0.0000 ( 1223 PWs) bands (ev): -18.8218 -18.8218 -11.7848 -11.7848 -10.5299 -10.5299 -5.2024 -5.2024 -3.0976 -3.0976 4.3897 4.3897 5.2099 5.2099 6.2747 6.2747 6.6187 6.6187 8.7211 8.7211 8.8738 8.8738 10.2177 10.2177 k = 0.2262 0.3918-0.0000 ( 1219 PWs) bands (ev): -18.8780 -18.8780 -11.7024 -11.7024 -10.4439 -10.4439 -5.2585 -5.2585 -3.2226 -3.2226 4.4455 4.4455 5.3124 5.3124 6.2436 6.2436 6.6964 6.6964 8.6094 8.6094 9.0615 9.0615 10.0745 10.0745 k = 0.2222 0.3849-0.0000 ( 1219 PWs) bands (ev): -18.9347 -18.9347 -11.6163 -11.6163 -10.3565 -10.3565 -5.3156 -5.3156 -3.3475 -3.3475 4.5051 4.5051 5.4145 5.4145 6.2152 6.2152 6.7733 6.7733 8.4975 8.4975 9.2516 9.2516 9.9281 9.9281 k = 0.2183 0.3780-0.0000 ( 1217 PWs) bands (ev): -18.9920 -18.9920 -11.5264 -11.5264 -10.2675 -10.2675 -5.3737 -5.3737 -3.4719 -3.4719 4.5685 4.5685 5.5133 5.5133 6.1919 6.1919 6.8496 6.8496 8.3855 8.3855 9.4439 9.4439 9.7786 9.7786 k = 0.2143 0.3712-0.0000 ( 1217 PWs) bands (ev): -19.0497 -19.0497 -11.4330 -11.4330 -10.1770 -10.1770 -5.4327 -5.4327 -3.5958 -3.5958 4.6355 4.6355 5.6043 5.6043 6.1784 6.1784 6.9250 6.9250 8.2733 8.2733 9.6262 9.6262 9.6385 9.6385 k = 0.2103 0.3643-0.0000 ( 1217 PWs) bands (ev): -19.1077 -19.1077 -11.3361 -11.3361 -10.0850 -10.0850 -5.4925 -5.4925 -3.7189 -3.7189 4.7058 4.7058 5.6797 5.6797 6.1821 6.1821 6.9998 6.9998 8.1608 8.1608 9.4709 9.4709 9.8352 9.8352 k = 0.2063 0.3574-0.0000 ( 1217 PWs) bands (ev): -19.1659 -19.1659 -11.2357 -11.2357 -9.9914 -9.9914 -5.5529 -5.5529 -3.8411 -3.8411 4.7794 4.7794 5.7301 5.7301 6.2123 6.2123 7.0735 7.0735 8.0479 8.0479 9.3126 9.3126 10.0340 10.0340 k = 0.2024 0.3505-0.0000 ( 1217 PWs) bands (ev): -19.2241 -19.2241 -11.1322 -11.1322 -9.8964 -9.8964 -5.6138 -5.6138 -3.9622 -3.9622 4.8561 4.8561 5.7509 5.7509 6.2733 6.2733 7.1462 7.1462 7.9347 7.9347 9.1517 9.1517 10.2350 10.2350 k = 0.1984 0.3437-0.0000 ( 1213 PWs) bands (ev): -19.2823 -19.2823 -11.0255 -11.0255 -9.7999 -9.7999 -5.6750 -5.6750 -4.0821 -4.0821 4.9358 4.9358 5.7469 5.7469 6.3603 6.3603 7.2180 7.2180 7.8209 7.8209 8.9882 8.9882 10.4379 10.4379 k = 0.1944 0.3368-0.0000 ( 1209 PWs) bands (ev): -19.3403 -19.3403 -10.9158 -10.9158 -9.7018 -9.7018 -5.7366 -5.7366 -4.2007 -4.2007 5.0183 5.0183 5.7264 5.7264 6.4649 6.4649 7.2886 7.2886 7.7066 7.7066 8.8222 8.8222 10.6429 10.6429 k = 0.1905 0.3299-0.0000 ( 1207 PWs) bands (ev): -19.3981 -19.3981 -10.8031 -10.8031 -9.6024 -9.6024 -5.7983 -5.7983 -4.3178 -4.3178 5.1033 5.1033 5.6960 5.6960 6.5803 6.5803 7.3579 7.3579 7.5917 7.5917 8.6538 8.6538 10.8498 10.8498 k = 0.1865 0.3230-0.0000 ( 1215 PWs) bands (ev): -19.4557 -19.4557 -10.6876 -10.6876 -9.5015 -9.5015 -5.8600 -5.8600 -4.4334 -4.4334 5.1906 5.1906 5.6595 5.6595 6.7024 6.7024 7.4259 7.4259 7.4760 7.4760 8.4831 8.4831 11.0586 11.0586 k = 0.1825 0.3162-0.0000 ( 1215 PWs) bands (ev): -19.5128 -19.5128 -10.5693 -10.5693 -9.3991 -9.3991 -5.9217 -5.9217 -4.5473 -4.5473 5.2802 5.2802 5.6193 5.6193 6.8290 6.8290 7.3595 7.3595 7.4925 7.4925 8.3106 8.3106 11.2691 11.2691 k = 0.1786 0.3093-0.0000 ( 1215 PWs) bands (ev): -19.5695 -19.5695 -10.4483 -10.4483 -9.2953 -9.2953 -5.9833 -5.9833 -4.6595 -4.6595 5.3719 5.3719 5.5766 5.5766 6.9586 6.9586 7.2420 7.2420 7.5571 7.5571 8.1364 8.1364 11.4814 11.4814 k = 0.1746 0.3024-0.0000 ( 1211 PWs) bands (ev): -19.6256 -19.6256 -10.3247 -10.3247 -9.1900 -9.1900 -6.0446 -6.0446 -4.7698 -4.7698 5.4652 5.4652 5.5325 5.5325 7.0905 7.0905 7.1236 7.1236 7.6186 7.6186 7.9622 7.9622 11.5230 11.5230 k = 0.1706 0.2955-0.0000 ( 1215 PWs) bands (ev): -19.6812 -19.6812 -10.1987 -10.1987 -9.0834 -9.0834 -6.1056 -6.1056 -4.8784 -4.8784 5.4859 5.4859 5.5612 5.5612 7.0041 7.0041 7.2238 7.2238 7.6665 7.6665 7.7983 7.7983 11.3818 11.3818 k = 0.1667 0.2887-0.0000 ( 1215 PWs) bands (ev): -19.7361 -19.7361 -10.0703 -10.0703 -8.9754 -8.9754 -6.1662 -6.1662 -4.9849 -4.9849 5.4399 5.4399 5.6573 5.6573 6.8835 6.8835 7.3580 7.3580 7.5803 7.5803 7.7655 7.7655 11.2401 11.2401 k = 0.1627 0.2818-0.0000 ( 1215 PWs) bands (ev): -19.7903 -19.7903 -9.9395 -9.9395 -8.8661 -8.8661 -6.2262 -6.2262 -5.0895 -5.0895 5.3931 5.3931 5.7545 5.7545 6.7621 6.7621 7.4060 7.4060 7.4930 7.4930 7.8175 7.8175 11.0982 11.0982 k = 0.1587 0.2749-0.0000 ( 1219 PWs) bands (ev): -19.8437 -19.8437 -9.8064 -9.8064 -8.7554 -8.7554 -6.2857 -6.2857 -5.1920 -5.1920 5.3459 5.3459 5.8519 5.8519 6.6401 6.6401 7.2246 7.2246 7.6279 7.6279 7.8741 7.8741 10.9563 10.9563 k = 0.1548 0.2681-0.0000 ( 1215 PWs) bands (ev): -19.8962 -19.8962 -9.6713 -9.6713 -8.6435 -8.6435 -6.3445 -6.3445 -5.2924 -5.2924 5.2987 5.2987 5.9480 5.9480 6.5188 6.5188 7.0406 7.0406 7.7629 7.7629 7.9305 7.9305 10.8149 10.8149 k = 0.1508 0.2612-0.0000 ( 1211 PWs) bands (ev): -19.9479 -19.9479 -9.5340 -9.5340 -8.5303 -8.5303 -6.4025 -6.4025 -5.3906 -5.3906 5.2515 5.2515 6.0376 6.0376 6.4030 6.4030 6.8551 6.8551 7.8977 7.8977 7.9858 7.9858 10.6742 10.6742 k = 0.1468 0.2543-0.0000 ( 1215 PWs) bands (ev): -19.9987 -19.9987 -9.3948 -9.3948 -8.4160 -8.4160 -6.4598 -6.4598 -5.4866 -5.4866 5.2044 5.2044 6.0964 6.0964 6.3165 6.3165 6.6684 6.6684 8.0316 8.0316 8.0399 8.0399 10.5344 10.5344 k = 0.1429 0.2474-0.0000 ( 1215 PWs) bands (ev): -20.0485 -20.0485 -9.2537 -9.2537 -8.3005 -8.3005 -6.5162 -6.5162 -5.5805 -5.5805 5.1576 5.1576 6.0553 6.0553 6.3285 6.3285 6.4808 6.4808 8.0921 8.0921 8.1652 8.1652 10.3960 10.3960 k = 0.1389 0.2406-0.0000 ( 1215 PWs) bands (ev): -20.0972 -20.0972 -9.1108 -9.1108 -8.1839 -8.1839 -6.5716 -6.5716 -5.6720 -5.6720 5.1112 5.1112 5.9439 5.9439 6.2926 6.2926 6.4089 6.4089 8.1430 8.1430 8.2975 8.2975 10.2593 10.2593 k = 0.1349 0.2337-0.0000 ( 1215 PWs) bands (ev): -20.1450 -20.1450 -8.9663 -8.9663 -8.0663 -8.0663 -6.6260 -6.6260 -5.7612 -5.7612 5.0653 5.0653 5.8145 5.8145 6.1039 6.1039 6.5051 6.5051 8.1924 8.1924 8.4285 8.4285 10.1248 10.1248 k = 0.1310 0.2268-0.0000 ( 1221 PWs) bands (ev): -20.1917 -20.1917 -8.8202 -8.8202 -7.9476 -7.9476 -6.6794 -6.6794 -5.8482 -5.8482 5.0198 5.0198 5.6781 5.6781 5.9149 5.9149 6.6058 6.6058 8.2403 8.2403 8.5579 8.5579 9.9925 9.9925 k = 0.1270 0.2199-0.0000 ( 1217 PWs) bands (ev): -20.2373 -20.2373 -8.6725 -8.6725 -7.8281 -7.8281 -6.7317 -6.7317 -5.9327 -5.9327 4.9751 4.9751 5.5374 5.5374 5.7258 5.7258 6.7084 6.7084 8.2865 8.2865 8.6858 8.6858 9.8631 9.8631 k = 0.1230 0.2131-0.0000 ( 1217 PWs) bands (ev): -20.2817 -20.2817 -8.5236 -8.5236 -7.7077 -7.7077 -6.7828 -6.7828 -6.0148 -6.0148 4.9311 4.9311 5.3932 5.3932 5.5369 5.5369 6.8114 6.8114 8.3310 8.3310 8.8117 8.8117 9.7368 9.7368 k = 0.1190 0.2062-0.0000 ( 1217 PWs) bands (ev): -20.3249 -20.3249 -8.3734 -8.3734 -7.5866 -7.5866 -6.8326 -6.8326 -6.0945 -6.0945 4.8879 4.8879 5.2460 5.2460 5.3483 5.3483 6.9144 6.9144 8.3740 8.3740 8.9355 8.9355 9.6139 9.6139 k = 0.1151 0.1993-0.0000 ( 1217 PWs) bands (ev): -20.3670 -20.3670 -8.2221 -8.2221 -7.4649 -7.4649 -6.8812 -6.8812 -6.1718 -6.1718 4.8456 4.8456 5.0960 5.0960 5.1602 5.1602 7.0169 7.0169 8.4154 8.4154 9.0569 9.0569 9.4947 9.4947 k = 0.1111 0.1925-0.0000 ( 1213 PWs) bands (ev): -20.4078 -20.4078 -8.0698 -8.0698 -7.3426 -7.3426 -6.9285 -6.9285 -6.2466 -6.2466 4.8041 4.8041 4.9434 4.9434 4.9728 4.9728 7.1187 7.1187 8.4551 8.4551 9.1761 9.1761 9.3794 9.3794 k = 0.1071 0.1856-0.0000 ( 1205 PWs) bands (ev): -20.4474 -20.4474 -7.9168 -7.9168 -7.2199 -7.2199 -6.9744 -6.9744 -6.3189 -6.3189 4.7637 4.7637 4.7863 4.7863 4.7884 4.7884 7.2193 7.2193 8.4934 8.4934 9.2682 9.2682 9.2926 9.2926 k = 0.1032 0.1787-0.0000 ( 1205 PWs) bands (ev): -20.4857 -20.4857 -7.7632 -7.7632 -7.0969 -7.0969 -7.0189 -7.0189 -6.3887 -6.3887 4.6011 4.6011 4.6311 4.6311 4.7243 4.7243 7.3184 7.3184 8.5300 8.5300 9.1619 9.1619 9.4057 9.4057 k = 0.0992 0.1718-0.0000 ( 1205 PWs) bands (ev): -20.5227 -20.5227 -7.6093 -7.6093 -7.0618 -7.0618 -6.9738 -6.9738 -6.4560 -6.4560 4.4172 4.4172 4.4720 4.4720 4.6859 4.6859 7.4157 7.4157 8.5649 8.5649 9.0603 9.0603 9.5159 9.5159 k = 0.0952 0.1650-0.0000 ( 1207 PWs) bands (ev): -20.5584 -20.5584 -7.4555 -7.4555 -7.1029 -7.1029 -6.8507 -6.8507 -6.5208 -6.5208 4.2350 4.2350 4.3111 4.3111 4.6487 4.6487 7.5108 7.5108 8.5983 8.5983 8.9637 8.9637 9.6229 9.6229 k = 0.0913 0.1581-0.0000 ( 1207 PWs) bands (ev): -20.5927 -20.5927 -7.3034 -7.3034 -7.1408 -7.1408 -6.7278 -6.7278 -6.5830 -6.5830 4.0547 4.0547 4.1489 4.1489 4.6126 4.6126 7.6031 7.6031 8.6301 8.6301 8.8726 8.8726 9.7265 9.7265 k = 0.0873 0.1512-0.0000 ( 1211 PWs) bands (ev): -20.6257 -20.6257 -7.1974 -7.1974 -7.1312 -7.1312 -6.6430 -6.6430 -6.6050 -6.6050 3.8767 3.8767 3.9856 3.9856 4.5778 4.5778 7.6919 7.6919 8.6603 8.6603 8.7875 8.7875 9.8265 9.8265 k = 0.0833 0.1443-0.0000 ( 1203 PWs) bands (ev): -20.6573 -20.6573 -7.2243 -7.2243 -6.9875 -6.9875 -6.6999 -6.6999 -6.4832 -6.4832 3.7011 3.7011 3.8217 3.8217 4.5443 4.5443 7.7765 7.7765 8.6887 8.6887 8.7095 8.7095 9.9228 9.9228 k = 0.0794 0.1375-0.0000 ( 1199 PWs) bands (ev): -20.6876 -20.6876 -7.2587 -7.2587 -6.8356 -6.8356 -6.7543 -6.7543 -6.3621 -6.3621 3.5284 3.5284 3.6577 3.6577 4.5122 4.5122 7.8554 7.8554 8.6384 8.6384 8.7166 8.7166 10.0153 10.0153 k = 0.0754 0.1306-0.0000 ( 1195 PWs) bands (ev): -20.7164 -20.7164 -7.2923 -7.2923 -6.8063 -6.8063 -6.6837 -6.6837 -6.2422 -6.2422 3.3589 3.3589 3.4939 3.4939 4.4813 4.4813 7.9265 7.9265 8.5777 8.5777 8.7423 8.7423 10.1037 10.1037 k = 0.0714 0.1237-0.0000 ( 1195 PWs) bands (ev): -20.7439 -20.7439 -7.3245 -7.3245 -6.8556 -6.8556 -6.5333 -6.5333 -6.1236 -6.1236 3.1929 3.1929 3.3310 3.3310 4.4518 4.4518 7.9862 7.9862 8.5298 8.5298 8.7665 8.7665 10.1880 10.1880 k = 0.0675 0.1168-0.0000 ( 1191 PWs) bands (ev): -20.7699 -20.7699 -7.3552 -7.3552 -6.9023 -6.9023 -6.3845 -6.3845 -6.0068 -6.0068 3.0308 3.0308 3.1694 3.1694 4.4238 4.4238 8.0300 8.0300 8.4994 8.4994 8.7894 8.7894 10.2682 10.2682 k = 0.0635 0.1100-0.0000 ( 1191 PWs) bands (ev): -20.7945 -20.7945 -7.3843 -7.3843 -6.9463 -6.9463 -6.2380 -6.2380 -5.8922 -5.8922 2.8731 2.8731 3.0098 3.0098 4.3971 4.3971 8.0529 8.0529 8.4908 8.4908 8.8108 8.8108 10.3440 10.3440 k = 0.0595 0.1031-0.0000 ( 1191 PWs) bands (ev): -20.8177 -20.8177 -7.4117 -7.4117 -6.9878 -6.9878 -6.0942 -6.0942 -5.7800 -5.7800 2.7203 2.7203 2.8529 2.8529 4.3719 4.3719 8.0541 8.0541 8.5049 8.5049 8.8308 8.8308 10.4155 10.4155 k = 0.0556 0.0962-0.0000 ( 1191 PWs) bands (ev): -20.8394 -20.8394 -7.4375 -7.4375 -7.0265 -7.0265 -5.9537 -5.9537 -5.6709 -5.6709 2.5728 2.5728 2.6993 2.6993 4.3483 4.3483 8.0384 8.0384 8.5366 8.5366 8.8494 8.8494 10.4825 10.4825 k = 0.0516 0.0894-0.0000 ( 1195 PWs) bands (ev): -20.8597 -20.8597 -7.4615 -7.4615 -7.0627 -7.0627 -5.8172 -5.8172 -5.5652 -5.5652 2.4312 2.4312 2.5498 2.5498 4.3261 4.3261 8.0125 8.0125 8.5786 8.5786 8.8666 8.8666 10.5450 10.5450 k = 0.0476 0.0825-0.0000 ( 1191 PWs) bands (ev): -20.8785 -20.8785 -7.4839 -7.4839 -7.0962 -7.0962 -5.6853 -5.6853 -5.4634 -5.4634 2.2961 2.2961 2.4053 2.4053 4.3055 4.3055 7.9819 7.9819 8.6254 8.6254 8.8826 8.8826 10.6030 10.6030 k = 0.0437 0.0756-0.0000 ( 1191 PWs) bands (ev): -20.8958 -20.8958 -7.5045 -7.5045 -7.1270 -7.1270 -5.5587 -5.5587 -5.3662 -5.3662 2.1680 2.1680 2.2667 2.2667 4.2865 4.2865 7.9501 7.9501 8.6734 8.6734 8.8972 8.8972 10.6565 10.6565 k = 0.0397 0.0687-0.0000 ( 1187 PWs) bands (ev): -20.9116 -20.9116 -7.5234 -7.5234 -7.1552 -7.1552 -5.4383 -5.4383 -5.2742 -5.2742 2.0477 2.0477 2.1349 2.1349 4.2691 4.2691 7.9188 7.9188 8.7204 8.7204 8.9104 8.9104 10.7053 10.7053 k = 0.0357 0.0619-0.0000 ( 1187 PWs) bands (ev): -20.9259 -20.9259 -7.5405 -7.5405 -7.1807 -7.1807 -5.3251 -5.3251 -5.1881 -5.1881 1.9357 1.9357 2.0109 2.0109 4.2532 4.2532 7.8892 7.8892 8.7649 8.7649 8.9224 8.9224 10.7495 10.7495 k = 0.0317 0.0550-0.0000 ( 1181 PWs) bands (ev): -20.9387 -20.9387 -7.5558 -7.5558 -7.2035 -7.2035 -5.2198 -5.2198 -5.1082 -5.1082 1.8329 1.8329 1.8957 1.8957 4.2390 4.2390 7.8619 7.8619 8.8061 8.8061 8.9333 8.9333 10.7891 10.7891 k = 0.0278 0.0481-0.0000 ( 1181 PWs) bands (ev): -20.9501 -20.9501 -7.5693 -7.5693 -7.2237 -7.2237 -5.1237 -5.1237 -5.0357 -5.0357 1.7399 1.7399 1.7906 1.7906 4.2265 4.2265 7.8374 7.8374 8.8434 8.8434 8.9428 8.9428 10.8240 10.8240 k = 0.0238 0.0412-0.0000 ( 1181 PWs) bands (ev): -20.9599 -20.9599 -7.5811 -7.5811 -7.2411 -7.2411 -5.0377 -5.0377 -4.9710 -4.9710 1.6575 1.6575 1.6965 1.6965 4.2156 4.2156 7.8159 7.8159 8.8762 8.8762 8.9511 8.9511 10.8542 10.8542 k = 0.0198 0.0344-0.0000 ( 1175 PWs) bands (ev): -20.9682 -20.9682 -7.5911 -7.5911 -7.2559 -7.2559 -4.9628 -4.9628 -4.9147 -4.9147 1.5863 1.5863 1.6146 1.6146 4.2063 4.2063 7.7976 7.7976 8.9045 8.9045 8.9584 8.9584 10.8798 10.8798 k = 0.0159 0.0275-0.0000 ( 1175 PWs) bands (ev): -20.9751 -20.9751 -7.5992 -7.5992 -7.2680 -7.2680 -4.9002 -4.9002 -4.8674 -4.8674 1.5270 1.5270 1.5460 1.5460 4.1987 4.1987 7.7825 7.7825 8.9273 8.9273 8.9647 8.9647 10.9008 10.9008 k = 0.0119 0.0206-0.0000 ( 1173 PWs) bands (ev): -20.9804 -20.9804 -7.6056 -7.6056 -7.2774 -7.2774 -4.8509 -4.8509 -4.8296 -4.8296 1.4801 1.4801 1.4916 1.4916 4.1929 4.1929 7.7707 7.7707 8.9444 8.9444 8.9703 8.9703 10.9172 10.9172 k = 0.0079 0.0137-0.0000 ( 1177 PWs) bands (ev): -20.9842 -20.9842 -7.6101 -7.6101 -7.2841 -7.2841 -4.8161 -4.8161 -4.8013 -4.8013 1.4459 1.4459 1.4525 1.4525 4.1886 4.1886 7.7622 7.7622 8.9556 8.9556 8.9754 8.9754 10.9288 10.9288 k = 0.0040 0.0069-0.0000 ( 1179 PWs) bands (ev): -20.9865 -20.9865 -7.6128 -7.6128 -7.2881 -7.2881 -4.7960 -4.7960 -4.7831 -4.7831 1.4246 1.4246 1.4293 1.4293 4.1861 4.1861 7.7572 7.7572 8.9613 8.9613 8.9795 8.9795 10.9358 10.9358 k = 0.0000 0.0000 0.0000 ( 1179 PWs) bands (ev): -20.9872 -20.9872 -7.6137 -7.6137 -7.2895 -7.2895 -4.7895 -4.7895 -4.7768 -4.7768 1.4172 1.4172 1.4218 1.4218 4.1852 4.1852 7.7555 7.7555 8.9630 8.9630 8.9811 8.9811 10.9381 10.9381 k = 0.0000 0.0000 0.0000 ( 1179 PWs) bands (ev): -20.9872 -20.9872 -7.6137 -7.6137 -7.2895 -7.2895 -4.7895 -4.7895 -4.7768 -4.7768 1.4172 1.4172 1.4218 1.4218 4.1852 4.1852 7.7555 7.7555 8.9630 8.9630 8.9811 8.9811 10.9381 10.9381 k = 0.0000 0.0000 0.0078 ( 1185 PWs) bands (ev): -20.9872 -20.9872 -7.6151 -7.6151 -7.2881 -7.2881 -4.7895 -4.7895 -4.7768 -4.7768 1.4172 1.4172 1.4218 1.4218 4.1829 4.1829 7.7594 7.7594 8.9630 8.9630 8.9811 8.9811 10.9363 10.9363 k = 0.0000 0.0000 0.0156 ( 1179 PWs) bands (ev): -20.9872 -20.9872 -7.6190 -7.6190 -7.2837 -7.2837 -4.7894 -4.7894 -4.7767 -4.7767 1.4172 1.4172 1.4218 1.4218 4.1765 4.1765 7.7710 7.7710 8.9631 8.9631 8.9812 8.9812 10.9320 10.9320 k = 0.0000 0.0000 0.0234 ( 1179 PWs) bands (ev): -20.9872 -20.9872 -7.6252 -7.6252 -7.2768 -7.2768 -4.7894 -4.7894 -4.7767 -4.7767 1.4172 1.4172 1.4218 1.4218 4.1658 4.1658 7.7902 7.7902 8.9631 8.9631 8.9812 8.9812 10.9247 10.9247 k = 0.0000 0.0000 0.0313 ( 1179 PWs) bands (ev): -20.9872 -20.9872 -7.6334 -7.6334 -7.2676 -7.2676 -4.7894 -4.7894 -4.7767 -4.7767 1.4172 1.4172 1.4218 1.4218 4.1512 4.1512 7.8165 7.8165 8.9631 8.9631 8.9812 8.9812 10.9147 10.9147 k = 0.0000 0.0000 0.0391 ( 1179 PWs) bands (ev): -20.9872 -20.9872 -7.6431 -7.6431 -7.2566 -7.2566 -4.7894 -4.7894 -4.7767 -4.7767 1.4172 1.4172 1.4218 1.4218 4.1332 4.1332 7.8495 7.8495 8.9631 8.9631 8.9812 8.9812 10.9020 10.9020 k = 0.0000 0.0000 0.0469 ( 1179 PWs) bands (ev): -20.9872 -20.9872 -7.6540 -7.6540 -7.2443 -7.2443 -4.7894 -4.7894 -4.7767 -4.7767 1.4172 1.4172 1.4218 1.4218 4.1121 4.1121 7.8885 7.8885 8.9631 8.9631 8.9812 8.9812 10.8868 10.8868 k = 0.0000 0.0000 0.0547 ( 1179 PWs) bands (ev): -20.9872 -20.9872 -7.6656 -7.6656 -7.2309 -7.2309 -4.7894 -4.7894 -4.7767 -4.7767 1.4172 1.4172 1.4218 1.4218 4.0884 4.0884 7.9330 7.9330 8.9631 8.9631 8.9812 8.9812 10.8693 10.8693 k = 0.0000 0.0000 0.0625 ( 1179 PWs) bands (ev): -20.9872 -20.9872 -7.6777 -7.6777 -7.2170 -7.2170 -4.7894 -4.7894 -4.7767 -4.7767 1.4172 1.4172 1.4218 1.4218 4.0626 4.0626 7.9822 7.9822 8.9632 8.9632 8.9813 8.9813 10.8496 10.8496 k = 0.0000 0.0000 0.0703 ( 1179 PWs) bands (ev): -20.9872 -20.9872 -7.6900 -7.6900 -7.2026 -7.2026 -4.7894 -4.7894 -4.7767 -4.7767 1.4172 1.4172 1.4218 1.4218 4.0353 4.0353 8.0352 8.0352 8.9631 8.9631 8.9812 8.9812 10.8280 10.8280 k = 0.0000 0.0000 0.0782 ( 1179 PWs) bands (ev): -20.9872 -20.9872 -7.7023 -7.7023 -7.1883 -7.1883 -4.7894 -4.7894 -4.7767 -4.7767 1.4172 1.4172 1.4218 1.4218 4.0072 4.0072 8.0913 8.0913 8.9631 8.9631 8.9812 8.9812 10.8048 10.8048 k = 0.0000 0.0000 0.0860 ( 1179 PWs) bands (ev): -20.9872 -20.9872 -7.7143 -7.7143 -7.1740 -7.1740 -4.7894 -4.7894 -4.7767 -4.7767 1.4172 1.4172 1.4218 1.4218 3.9785 3.9785 8.1496 8.1496 8.9631 8.9631 8.9812 8.9812 10.7802 10.7802 k = 0.0000 0.0000 0.0938 ( 1173 PWs) bands (ev): -20.9871 -20.9871 -7.7258 -7.7258 -7.1601 -7.1601 -4.7894 -4.7894 -4.7766 -4.7766 1.4172 1.4172 1.4218 1.4218 3.9501 3.9501 8.2092 8.2092 8.9632 8.9632 8.9812 8.9812 10.7547 10.7547 k = 0.0000 0.0000 0.1016 ( 1173 PWs) bands (ev): -20.9871 -20.9871 -7.7369 -7.7369 -7.1468 -7.1468 -4.7894 -4.7894 -4.7766 -4.7766 1.4172 1.4172 1.4218 1.4218 3.9221 3.9221 8.2692 8.2692 8.9632 8.9632 8.9812 8.9812 10.7284 10.7284 k = 0.0000 0.0000 0.1094 ( 1173 PWs) bands (ev): -20.9871 -20.9871 -7.7473 -7.7473 -7.1341 -7.1341 -4.7894 -4.7894 -4.7766 -4.7766 1.4172 1.4172 1.4218 1.4218 3.8950 3.8950 8.3287 8.3287 8.9632 8.9632 8.9812 8.9812 10.7016 10.7016 k = 0.0000 0.0000 0.1172 ( 1173 PWs) bands (ev): -20.9871 -20.9871 -7.7570 -7.7570 -7.1223 -7.1223 -4.7894 -4.7894 -4.7766 -4.7766 1.4172 1.4172 1.4218 1.4218 3.8694 3.8694 8.3866 8.3866 8.9632 8.9632 8.9812 8.9812 10.6750 10.6750 k = 0.0000 0.0000 0.1251 ( 1173 PWs) bands (ev): -20.9870 -20.9870 -7.7658 -7.7658 -7.1114 -7.1114 -4.7894 -4.7894 -4.7766 -4.7766 1.4172 1.4172 1.4218 1.4218 3.8455 3.8455 8.4422 8.4422 8.9632 8.9632 8.9812 8.9812 10.6489 10.6489 k = 0.0000 0.0000 0.1329 ( 1172 PWs) bands (ev): -20.9870 -20.9870 -7.7738 -7.7738 -7.1015 -7.1015 -4.7893 -4.7893 -4.7766 -4.7766 1.4172 1.4172 1.4218 1.4218 3.8236 3.8236 8.4943 8.4943 8.9632 8.9632 8.9812 8.9812 10.6239 10.6239 k = 0.0000 0.0000 0.1407 ( 1178 PWs) bands (ev): -20.9871 -20.9871 -7.7808 -7.7808 -7.0928 -7.0928 -4.7894 -4.7894 -4.7767 -4.7767 1.4172 1.4172 1.4218 1.4218 3.8041 3.8041 8.5421 8.5421 8.9631 8.9631 8.9812 8.9812 10.6004 10.6004 k = 0.0000 0.0000 0.1485 ( 1178 PWs) bands (ev): -20.9871 -20.9871 -7.7868 -7.7868 -7.0853 -7.0853 -4.7894 -4.7894 -4.7766 -4.7766 1.4172 1.4172 1.4218 1.4218 3.7872 3.7872 8.5846 8.5846 8.9631 8.9631 8.9812 8.9812 10.5791 10.5791 k = 0.0000 0.0000 0.1563 ( 1166 PWs) bands (ev): -20.9871 -20.9871 -7.7917 -7.7917 -7.0790 -7.0790 -4.7893 -4.7893 -4.7766 -4.7766 1.4172 1.4172 1.4219 1.4219 3.7731 3.7731 8.6209 8.6209 8.9633 8.9633 8.9814 8.9814 10.5608 10.5608 k = 0.0000 0.0000 0.1641 ( 1178 PWs) bands (ev): -20.9871 -20.9871 -7.7957 -7.7957 -7.0742 -7.0742 -4.7894 -4.7894 -4.7766 -4.7766 1.4172 1.4172 1.4218 1.4218 3.7619 3.7619 8.6500 8.6500 8.9632 8.9632 8.9813 8.9813 10.5454 10.5454 k = 0.0000 0.0000 0.1720 ( 1178 PWs) bands (ev): -20.9871 -20.9871 -7.7984 -7.7984 -7.0706 -7.0706 -4.7894 -4.7894 -4.7766 -4.7766 1.4172 1.4172 1.4218 1.4218 3.7538 3.7538 8.6714 8.6714 8.9632 8.9632 8.9813 8.9813 10.5342 10.5342 k = 0.0000 0.0000 0.1798 ( 1178 PWs) bands (ev): -20.9871 -20.9871 -7.8001 -7.8001 -7.0685 -7.0685 -4.7894 -4.7894 -4.7766 -4.7766 1.4172 1.4172 1.4218 1.4218 3.7489 3.7489 8.6845 8.6845 8.9632 8.9632 8.9813 8.9813 10.5273 10.5273 k = 0.0000 0.0000 0.1876 ( 1178 PWs) bands (ev): -20.9871 -20.9871 -7.8007 -7.8007 -7.0678 -7.0678 -4.7894 -4.7894 -4.7766 -4.7766 1.4172 1.4172 1.4218 1.4218 3.7473 3.7473 8.6889 8.6889 8.9632 8.9632 8.9812 8.9812 10.5250 10.5250 k = 0.0000 0.0000 0.1876 ( 1178 PWs) bands (ev): -20.9871 -20.9871 -7.8007 -7.8007 -7.0678 -7.0678 -4.7894 -4.7894 -4.7766 -4.7766 1.4172 1.4172 1.4218 1.4218 3.7473 3.7473 8.6889 8.6889 8.9632 8.9632 8.9812 8.9812 10.5250 10.5250 k = 0.0068 0.0040 0.1876 ( 1178 PWs) bands (ev): -20.9863 -20.9863 -7.7997 -7.7997 -7.0666 -7.0666 -4.7958 -4.7958 -4.7830 -4.7830 1.4245 1.4245 1.4293 1.4293 3.7483 3.7483 8.6906 8.6906 8.9614 8.9614 8.9795 8.9795 10.5234 10.5234 k = 0.0137 0.0079 0.1876 ( 1178 PWs) bands (ev): -20.9841 -20.9841 -7.7965 -7.7965 -7.0630 -7.0630 -4.8158 -4.8158 -4.8010 -4.8010 1.4456 1.4456 1.4523 1.4523 3.7513 3.7513 8.6957 8.6957 8.9550 8.9550 8.9753 8.9753 10.5188 10.5188 k = 0.0205 0.0119 0.1876 ( 1182 PWs) bands (ev): -20.9803 -20.9803 -7.7914 -7.7914 -7.0570 -7.0570 -4.8505 -4.8505 -4.8291 -4.8291 1.4794 1.4794 1.4914 1.4914 3.7563 3.7563 8.7041 8.7041 8.9424 8.9424 8.9701 8.9701 10.5111 10.5111 k = 0.0274 0.0158 0.1876 ( 1186 PWs) bands (ev): -20.9750 -20.9750 -7.7841 -7.7841 -7.0487 -7.0487 -4.8997 -4.8997 -4.8666 -4.8666 1.5254 1.5254 1.5460 1.5460 3.7633 3.7633 8.7159 8.7159 8.9231 8.9231 8.9645 8.9645 10.5002 10.5002 k = 0.0342 0.0198 0.1876 ( 1190 PWs) bands (ev): -20.9683 -20.9683 -7.7748 -7.7748 -7.0379 -7.0379 -4.9623 -4.9623 -4.9133 -4.9133 1.5831 1.5831 1.6154 1.6154 3.7723 3.7723 8.7311 8.7311 8.8974 8.8974 8.9583 8.9583 10.4863 10.4863 k = 0.0411 0.0237 0.1876 ( 1190 PWs) bands (ev): -20.9600 -20.9600 -7.7634 -7.7634 -7.0247 -7.0247 -5.0373 -5.0373 -4.9686 -4.9686 1.6516 1.6516 1.6989 1.6989 3.7833 3.7833 8.7497 8.7497 8.8659 8.8659 8.9513 8.9513 10.4689 10.4689 k = 0.0479 0.0277 0.1876 ( 1184 PWs) bands (ev): -20.9502 -20.9502 -7.7500 -7.7500 -7.0091 -7.0091 -5.1236 -5.1236 -5.0319 -5.0319 1.7301 1.7301 1.7958 1.7958 3.7964 3.7964 8.7717 8.7717 8.8290 8.8290 8.9433 8.9433 10.4482 10.4482 k = 0.0548 0.0316 0.1876 ( 1190 PWs) bands (ev): -20.9389 -20.9389 -7.7346 -7.7346 -6.9911 -6.9911 -5.2206 -5.2206 -5.1026 -5.1026 1.8174 1.8174 1.9052 1.9052 3.8114 3.8114 8.7849 8.7849 8.7986 8.7986 8.9343 8.9343 10.4237 10.4237 k = 0.0616 0.0356 0.1876 ( 1190 PWs) bands (ev): -20.9262 -20.9262 -7.7172 -7.7172 -6.9706 -6.9706 -5.3270 -5.3270 -5.1800 -5.1800 1.9125 1.9125 2.0265 2.0265 3.8285 3.8285 8.7379 8.7379 8.8268 8.8268 8.9242 8.9242 10.3956 10.3956 k = 0.0685 0.0395 0.1876 ( 1194 PWs) bands (ev): -20.9120 -20.9120 -7.6978 -7.6978 -6.9478 -6.9478 -5.4419 -5.4419 -5.2633 -5.2633 2.0144 2.0144 2.1588 2.1588 3.8475 3.8475 8.6849 8.6849 8.8593 8.8593 8.9130 8.9130 10.3637 10.3637 k = 0.0753 0.0435 0.1876 ( 1198 PWs) bands (ev): -20.8963 -20.8963 -7.6764 -7.6764 -6.9225 -6.9225 -5.5644 -5.5644 -5.3518 -5.3518 2.1221 2.1221 2.3014 2.3014 3.8686 3.8686 8.6270 8.6270 8.8940 8.8940 8.9021 8.9021 10.3278 10.3278 k = 0.0822 0.0475 0.1876 ( 1198 PWs) bands (ev): -20.8791 -20.8791 -7.6531 -7.6531 -6.8948 -6.8948 -5.6937 -5.6937 -5.4446 -5.4446 2.2345 2.2345 2.4537 2.4537 3.8917 3.8917 8.5642 8.5642 8.8869 8.8869 8.9358 8.9358 10.2879 10.2879 k = 0.0890 0.0514 0.1876 ( 1196 PWs) bands (ev): -20.8604 -20.8604 -7.6279 -7.6279 -6.8647 -6.8647 -5.8289 -5.8289 -5.5413 -5.5413 2.3507 2.3507 2.6149 2.6149 3.9168 3.9168 8.4970 8.4970 8.8727 8.8727 8.9793 8.9793 10.2437 10.2437 k = 0.0959 0.0554 0.1876 ( 1192 PWs) bands (ev): -20.8403 -20.8403 -7.6007 -7.6007 -6.8321 -6.8321 -5.9694 -5.9694 -5.6412 -5.6412 2.4697 2.4697 2.7844 2.7844 3.9441 3.9441 8.4253 8.4253 8.8576 8.8576 9.0265 9.0265 10.1951 10.1951 k = 0.1027 0.0593 0.1876 ( 1196 PWs) bands (ev): -20.8187 -20.8187 -7.5717 -7.5717 -6.7970 -6.7970 -6.1145 -6.1145 -5.7438 -5.7438 2.5908 2.5908 2.9617 2.9617 3.9734 3.9734 8.3493 8.3493 8.8413 8.8413 9.0775 9.0775 10.1420 10.1420 k = 0.1096 0.0633 0.1876 ( 1200 PWs) bands (ev): -20.7957 -20.7957 -7.5409 -7.5409 -6.7595 -6.7595 -6.2637 -6.2637 -5.8484 -5.8484 2.7131 2.7131 3.1462 3.1462 4.0049 4.0049 8.2691 8.2691 8.8243 8.8243 9.1322 9.1322 10.0843 10.0843 k = 0.1164 0.0672 0.1876 ( 1200 PWs) bands (ev): -20.7713 -20.7713 -7.5083 -7.5083 -6.7195 -6.7195 -6.4162 -6.4162 -5.9548 -5.9548 2.8360 2.8360 3.3374 3.3374 4.0384 4.0384 8.1853 8.1853 8.8064 8.8064 9.1906 9.1906 10.0218 10.0218 k = 0.1233 0.0712 0.1876 ( 1200 PWs) bands (ev): -20.7454 -20.7454 -7.4739 -7.4739 -6.6771 -6.6771 -6.5715 -6.5715 -6.0624 -6.0624 2.9585 2.9585 3.5350 3.5350 4.0742 4.0742 8.0977 8.0977 8.7876 8.7876 9.2528 9.2528 9.9545 9.9545 k = 0.1301 0.0751 0.1876 ( 1204 PWs) bands (ev): -20.7182 -20.7182 -7.4377 -7.4377 -6.7295 -6.7295 -6.6320 -6.6320 -6.1710 -6.1710 3.0802 3.0802 3.7385 3.7385 4.1123 4.1123 8.0065 8.0065 8.7681 8.7681 9.3187 9.3187 9.8823 9.8823 k = 0.1370 0.0791 0.1876 ( 1204 PWs) bands (ev): -20.6895 -20.6895 -7.3999 -7.3999 -6.8894 -6.8894 -6.5847 -6.5847 -6.2801 -6.2801 3.2004 3.2004 3.9476 3.9476 4.1527 4.1527 7.9122 7.9122 8.7478 8.7478 9.3883 9.3883 9.8050 9.8050 k = 0.1438 0.0830 0.1876 ( 1204 PWs) bands (ev): -20.6595 -20.6595 -7.3604 -7.3604 -7.0509 -7.0509 -6.5348 -6.5348 -6.3894 -6.3894 3.3185 3.3185 4.1620 4.1620 4.1955 4.1955 7.8147 7.8147 8.7269 8.7269 9.4615 9.4615 9.7227 9.7227 k = 0.1507 0.0870 0.1876 ( 1200 PWs) bands (ev): -20.6280 -20.6280 -7.3193 -7.3193 -7.2138 -7.2138 -6.4992 -6.4992 -6.4818 -6.4818 3.4340 3.4340 4.2408 4.2408 4.3813 4.3813 7.7142 7.7142 8.7054 8.7054 9.5383 9.5383 9.6353 9.6353 k = 0.1575 0.0910 0.1876 ( 1200 PWs) bands (ev): -20.5953 -20.5953 -7.3777 -7.3777 -7.2766 -7.2766 -6.6078 -6.6078 -6.4273 -6.4273 3.5462 3.5462 4.2888 4.2888 4.6053 4.6053 7.6110 7.6110 8.6833 8.6833 9.5426 9.5426 9.6187 9.6187 k = 0.1644 0.0949 0.1876 ( 1196 PWs) bands (ev): -20.5612 -20.5612 -7.5424 -7.5424 -7.2324 -7.2324 -6.7163 -6.7163 -6.3699 -6.3699 3.6548 3.6548 4.3394 4.3394 4.8338 4.8338 7.5052 7.5052 8.6607 8.6607 9.4448 9.4448 9.7023 9.7023 k = 0.1712 0.0989 0.1876 ( 1196 PWs) bands (ev): -20.5257 -20.5257 -7.7075 -7.7075 -7.1867 -7.1867 -6.8242 -6.8242 -6.3100 -6.3100 3.7594 3.7594 4.3928 4.3928 5.0665 5.0665 7.3970 7.3970 8.6376 8.6376 9.3417 9.3417 9.7891 9.7891 k = 0.1781 0.1028 0.1876 ( 1196 PWs) bands (ev): -20.4890 -20.4890 -7.8730 -7.8730 -7.1395 -7.1395 -6.9312 -6.9312 -6.2476 -6.2476 3.8596 3.8596 4.4491 4.4491 5.3031 5.3031 7.2865 7.2865 8.6140 8.6140 9.2335 9.2335 9.8789 9.8789 k = 0.1849 0.1068 0.1876 ( 1194 PWs) bands (ev): -20.4510 -20.4510 -8.0385 -8.0385 -7.0910 -7.0910 -7.0372 -7.0372 -6.1826 -6.1826 3.9552 3.9552 4.5082 4.5082 5.5436 5.5436 7.1741 7.1741 8.5900 8.5900 9.1200 9.1200 9.9717 9.9717 k = 0.1918 0.1107 0.1876 ( 1194 PWs) bands (ev): -20.4117 -20.4117 -8.2039 -8.2039 -7.1420 -7.1420 -7.0411 -7.0411 -6.1152 -6.1152 4.0461 4.0461 4.5699 4.5699 5.7878 5.7878 7.0596 7.0596 8.5656 8.5656 9.0015 9.0015 10.0671 10.0671 k = 0.1986 0.1147 0.1876 ( 1194 PWs) bands (ev): -20.3712 -20.3712 -8.3690 -8.3690 -7.2456 -7.2456 -6.9900 -6.9900 -6.0453 -6.0453 4.1324 4.1324 4.6340 4.6340 6.0354 6.0354 6.9435 6.9435 8.5409 8.5409 8.8778 8.8778 10.1648 10.1648 k = 0.2055 0.1186 0.1876 ( 1192 PWs) bands (ev): -20.3295 -20.3295 -8.5336 -8.5336 -7.3477 -7.3477 -6.9376 -6.9376 -5.9729 -5.9729 4.2144 4.2144 4.7002 4.7002 6.2863 6.2863 6.8258 6.8258 8.5161 8.5161 8.7492 8.7492 10.2648 10.2648 k = 0.2123 0.1226 0.1876 ( 1192 PWs) bands (ev): -20.2867 -20.2867 -8.6976 -8.6976 -7.4483 -7.4483 -6.8841 -6.8841 -5.8981 -5.8981 4.2923 4.2923 4.7679 4.7679 6.5405 6.5405 6.7067 6.7067 8.4910 8.4910 8.6157 8.6157 10.3666 10.3666 k = 0.2192 0.1265 0.1876 ( 1194 PWs) bands (ev): -20.2426 -20.2426 -8.8608 -8.8608 -7.5473 -7.5473 -6.8294 -6.8294 -5.8208 -5.8208 4.3667 4.3667 4.8366 4.8366 6.5864 6.5864 6.7976 6.7976 8.4656 8.4656 8.4776 8.4776 10.4701 10.4701 k = 0.2260 0.1305 0.1876 ( 1198 PWs) bands (ev): -20.1975 -20.1975 -9.0231 -9.0231 -7.6446 -7.6446 -6.7736 -6.7736 -5.7411 -5.7411 4.4381 4.4381 4.9057 4.9057 6.4649 6.4649 7.0577 7.0577 8.3346 8.3346 8.4404 8.4404 10.5750 10.5750 k = 0.2329 0.1345 0.1876 ( 1198 PWs) bands (ev): -20.1513 -20.1513 -9.1843 -9.1843 -7.7401 -7.7401 -6.7169 -6.7169 -5.6590 -5.6590 4.5069 4.5069 4.9746 4.9746 6.3427 6.3427 7.3205 7.3205 8.1873 8.1873 8.4150 8.4150 10.6809 10.6809 k = 0.2397 0.1384 0.1876 ( 1198 PWs) bands (ev): -20.1040 -20.1040 -9.3443 -9.3443 -7.8338 -7.8338 -6.6593 -6.6593 -5.5746 -5.5746 4.5736 4.5736 5.0430 5.0430 6.2196 6.2196 7.5859 7.5859 8.0358 8.0358 8.3896 8.3896 10.7876 10.7876 k = 0.2466 0.1424 0.1876 ( 1198 PWs) bands (ev): -20.0557 -20.0557 -9.5030 -9.5030 -7.9255 -7.9255 -6.6007 -6.6007 -5.4877 -5.4877 4.6386 4.6386 5.1103 5.1103 6.0961 6.0961 7.8533 7.8533 7.8809 7.8809 8.3643 8.3643 10.8949 10.8949 k = 0.2534 0.1463 0.1876 ( 1202 PWs) bands (ev): -20.0065 -20.0065 -9.6603 -9.6603 -8.0153 -8.0153 -6.5414 -6.5414 -5.3986 -5.3986 4.7021 4.7021 5.1763 5.1763 5.9720 5.9720 7.7209 7.7209 8.1243 8.1243 8.3390 8.3390 11.0024 11.0024 k = 0.2603 0.1503 0.1876 ( 1200 PWs) bands (ev): -19.9563 -19.9563 -9.8161 -9.8161 -8.1030 -8.1030 -6.4814 -6.4814 -5.3072 -5.3072 4.7645 4.7645 5.2408 5.2408 5.8477 5.8477 7.5581 7.5581 8.3140 8.3140 8.3970 8.3970 11.1100 11.1100 k = 0.2671 0.1542 0.1876 ( 1200 PWs) bands (ev): -19.9053 -19.9053 -9.9702 -9.9702 -8.1886 -8.1886 -6.4207 -6.4207 -5.2135 -5.2135 4.8258 4.8258 5.3035 5.3035 5.7233 5.7233 7.3922 7.3922 8.2890 8.2890 8.6717 8.6717 11.2173 11.2173 k = 0.2740 0.1582 0.1876 ( 1204 PWs) bands (ev): -19.8535 -19.8535 -10.1226 -10.1226 -8.2721 -8.2721 -6.3595 -6.3595 -5.1176 -5.1176 4.8862 4.8862 5.3643 5.3643 5.5988 5.5988 7.2232 7.2232 8.2643 8.2643 8.9485 8.9485 11.3241 11.3241 k = 0.2808 0.1621 0.1876 ( 1208 PWs) bands (ev): -19.8009 -19.8009 -10.2732 -10.2732 -8.3535 -8.3535 -6.2978 -6.2978 -5.0196 -5.0196 4.9458 4.9458 5.4230 5.4230 5.4747 5.4747 7.0517 7.0517 8.2399 8.2399 9.2270 9.2270 11.4302 11.4302 k = 0.2877 0.1661 0.1876 ( 1208 PWs) bands (ev): -19.7476 -19.7476 -10.4217 -10.4217 -8.4326 -8.4326 -6.2358 -6.2358 -4.9195 -4.9195 5.0045 5.0045 5.3504 5.3504 5.4804 5.4804 6.8779 6.8779 8.2158 8.2158 9.5074 9.5074 11.5355 11.5355 k = 0.2945 0.1700 0.1876 ( 1208 PWs) bands (ev): -19.6937 -19.6937 -10.5682 -10.5682 -8.5095 -8.5095 -6.1734 -6.1734 -4.8174 -4.8174 5.0624 5.0624 5.2270 5.2270 5.5354 5.5354 6.7022 6.7022 8.1920 8.1920 9.7893 9.7893 11.6397 11.6397 k = 0.3014 0.1740 0.1876 ( 1208 PWs) bands (ev): -19.6393 -19.6393 -10.7125 -10.7125 -8.5840 -8.5840 -6.1109 -6.1109 -4.7133 -4.7133 5.1032 5.1032 5.1204 5.1204 5.5886 5.5886 6.5250 6.5250 8.1686 8.1686 10.0725 10.0725 11.7428 11.7428 k = 0.3082 0.1780 0.1876 ( 1212 PWs) bands (ev): -19.5844 -19.5844 -10.8545 -10.8545 -8.6563 -8.6563 -6.0483 -6.0483 -4.6074 -4.6074 4.9817 4.9817 5.1757 5.1757 5.6399 5.6399 6.3466 6.3466 8.1456 8.1456 10.3571 10.3571 11.8446 11.8446 k = 0.3151 0.1819 0.1876 ( 1210 PWs) bands (ev): -19.5291 -19.5291 -10.9940 -10.9940 -8.7262 -8.7262 -5.9857 -5.9857 -4.4997 -4.4997 4.8604 4.8604 5.2308 5.2308 5.6893 5.6893 6.1674 6.1674 8.1231 8.1231 10.6427 10.6427 11.9450 11.9450 k = 0.3219 0.1859 0.1876 ( 1210 PWs) bands (ev): -19.4735 -19.4735 -11.1309 -11.1309 -8.7938 -8.7938 -5.9233 -5.9233 -4.3903 -4.3903 4.7399 4.7399 5.2848 5.2848 5.7371 5.7371 5.9880 5.9880 8.1012 8.1012 10.9292 10.9292 12.0438 12.0438 k = 0.3288 0.1898 0.1876 ( 1216 PWs) bands (ev): -19.4178 -19.4178 -11.2651 -11.2651 -8.8590 -8.8590 -5.8611 -5.8611 -4.2793 -4.2793 4.6204 4.6204 5.3375 5.3375 5.7829 5.7829 5.8088 5.8088 8.0796 8.0796 11.2163 11.2163 12.1410 12.1410 k = 0.3356 0.1938 0.1876 ( 1218 PWs) bands (ev): -19.3620 -19.3620 -11.3965 -11.3965 -8.9218 -8.9218 -5.7994 -5.7994 -4.1669 -4.1669 4.5019 4.5019 5.3890 5.3890 5.6300 5.6300 5.8275 5.8275 8.0587 8.0587 11.5038 11.5038 12.2365 12.2365 k = 0.3425 0.1977 0.1876 ( 1218 PWs) bands (ev): -19.3062 -19.3062 -11.5249 -11.5249 -8.9821 -8.9821 -5.7382 -5.7382 -4.0532 -4.0532 4.3845 4.3845 5.4389 5.4389 5.4526 5.4526 5.8704 5.8704 8.0384 8.0384 11.7915 11.7915 12.3302 12.3302 k = 0.3493 0.2017 0.1876 ( 1212 PWs) bands (ev): -19.2506 -19.2506 -11.6502 -11.6502 -9.0399 -9.0399 -5.6777 -5.6777 -3.9383 -3.9383 4.2681 4.2681 5.2768 5.2768 5.4875 5.4875 5.9119 5.9119 8.0189 8.0189 12.0793 12.0793 12.4218 12.4218 k = 0.3562 0.2056 0.1876 ( 1212 PWs) bands (ev): -19.1953 -19.1953 -11.7722 -11.7722 -9.0953 -9.0953 -5.6181 -5.6181 -3.8225 -3.8225 4.1528 4.1528 5.1035 5.1035 5.5342 5.5342 5.9520 5.9520 7.9998 7.9998 12.3648 12.3648 12.3672 12.3672 k = 0.3630 0.2096 0.1876 ( 1208 PWs) bands (ev): -19.1405 -19.1405 -11.8908 -11.8908 -9.1483 -9.1483 -5.5594 -5.5594 -3.7059 -3.7059 4.0382 4.0382 4.9333 4.9333 5.5792 5.5792 5.9907 5.9907 7.9816 7.9816 12.2955 12.2955 12.5998 12.5998 k = 0.3699 0.2135 0.1876 ( 1204 PWs) bands (ev): -19.0863 -19.0863 -12.0057 -12.0057 -9.1987 -9.1987 -5.5019 -5.5019 -3.5888 -3.5888 3.9244 3.9244 4.7671 4.7671 5.6221 5.6221 6.0281 6.0281 7.9640 7.9640 12.2293 12.2293 12.6858 12.6858 k = 0.3767 0.2175 0.1876 ( 1204 PWs) bands (ev): -19.0328 -19.0328 -12.1168 -12.1168 -9.2466 -9.2466 -5.4458 -5.4458 -3.4714 -3.4714 3.8109 3.8109 4.6058 4.6058 5.6630 5.6630 6.0643 6.0643 7.9472 7.9472 12.1668 12.1668 12.7694 12.7694 k = 0.3836 0.2214 0.1876 ( 1204 PWs) bands (ev): -18.9804 -18.9804 -12.2239 -12.2239 -9.2920 -9.2920 -5.3912 -5.3912 -3.3541 -3.3541 3.6975 3.6975 4.4504 4.4504 5.7017 5.7017 6.0992 6.0992 7.9311 7.9311 12.1081 12.1081 12.8506 12.8506 k = 0.3904 0.2254 0.1876 ( 1204 PWs) bands (ev): -18.9291 -18.9291 -12.3267 -12.3267 -9.3348 -9.3348 -5.3383 -5.3383 -3.2372 -3.2372 3.5837 3.5837 4.3019 4.3019 5.7381 5.7381 6.1329 6.1329 7.9159 7.9159 12.0531 12.0531 12.9294 12.9294 k = 0.3973 0.2294 0.1876 ( 1212 PWs) bands (ev): -18.8792 -18.8792 -12.4252 -12.4252 -9.3751 -9.3751 -5.2872 -5.2872 -3.1210 -3.1210 3.4693 3.4693 4.1616 4.1616 5.7722 5.7722 6.1652 6.1652 7.9013 7.9013 12.0017 12.0017 13.0056 13.0056 k = 0.4041 0.2333 0.1876 ( 1212 PWs) bands (ev): -18.8309 -18.8309 -12.5189 -12.5189 -9.4129 -9.4129 -5.2383 -5.2383 -3.0061 -3.0061 3.3541 3.3541 4.0302 4.0302 5.8040 5.8040 6.1962 6.1962 7.8877 7.8877 11.9538 11.9538 13.0789 13.0789 k = 0.4110 0.2373 0.1876 ( 1216 PWs) bands (ev): -18.7844 -18.7844 -12.6078 -12.6078 -9.4481 -9.4481 -5.1916 -5.1916 -2.8929 -2.8929 3.2381 3.2381 3.9087 3.9087 5.8334 5.8334 6.2258 6.2258 7.8749 7.8749 11.9095 11.9095 13.1492 13.1492 k = 0.4178 0.2412 0.1876 ( 1218 PWs) bands (ev): -18.7400 -18.7400 -12.6915 -12.6915 -9.4806 -9.4806 -5.1474 -5.1474 -2.7821 -2.7821 3.1218 3.1218 3.7975 3.7975 5.8604 5.8604 6.2538 6.2538 7.8630 7.8630 11.8687 11.8687 13.2163 13.2163 k = 0.4247 0.2452 0.1876 ( 1214 PWs) bands (ev): -18.6978 -18.6978 -12.7697 -12.7697 -9.5107 -9.5107 -5.1058 -5.1058 -2.6743 -2.6743 3.0062 3.0062 3.6968 3.6968 5.8851 5.8851 6.2802 6.2802 7.8521 7.8521 11.8312 11.8312 13.2799 13.2799 k = 0.4315 0.2491 0.1876 ( 1214 PWs) bands (ev): -18.6583 -18.6583 -12.8424 -12.8424 -9.5381 -9.5381 -5.0671 -5.0671 -2.5704 -2.5704 2.8923 2.8923 3.6065 3.6065 5.9074 5.9074 6.3049 6.3049 7.8420 7.8420 11.7972 11.7972 13.3397 13.3397 k = 0.4384 0.2531 0.1876 ( 1218 PWs) bands (ev): -18.6215 -18.6215 -12.9090 -12.9090 -9.5629 -9.5629 -5.0314 -5.0314 -2.4711 -2.4711 2.7816 2.7816 3.5262 3.5262 5.9275 5.9275 6.3277 6.3277 7.8327 7.8327 11.7665 11.7665 13.3953 13.3953 k = 0.4452 0.2570 0.1876 ( 1218 PWs) bands (ev): -18.5877 -18.5877 -12.9696 -12.9696 -9.5852 -9.5852 -4.9989 -4.9989 -2.3776 -2.3776 2.6759 2.6759 3.4555 3.4555 5.9452 5.9452 6.3485 6.3485 7.8245 7.8245 11.7391 11.7391 13.4464 13.4464 k = 0.4521 0.2610 0.1876 ( 1222 PWs) bands (ev): -18.5572 -18.5572 -13.0237 -13.0237 -9.6048 -9.6048 -4.9698 -4.9698 -2.2909 -2.2909 2.5770 2.5770 3.3939 3.3939 5.9608 5.9608 6.3671 6.3671 7.8172 7.8172 11.7150 11.7150 13.4927 13.4927 k = 0.4589 0.2649 0.1876 ( 1222 PWs) bands (ev): -18.5303 -18.5303 -13.0712 -13.0712 -9.6218 -9.6218 -4.9442 -4.9442 -2.2121 -2.2121 2.4865 2.4865 3.3412 3.3412 5.9742 5.9742 6.3835 6.3835 7.8108 7.8108 11.6942 11.6942 13.5338 13.5338 k = 0.4658 0.2689 0.1876 ( 1222 PWs) bands (ev): -18.5071 -18.5071 -13.1117 -13.1117 -9.6362 -9.6362 -4.9224 -4.9224 -2.1425 -2.1425 2.4063 2.4063 3.2970 3.2970 5.9854 5.9854 6.3976 6.3976 7.8054 7.8054 11.6766 11.6766 13.5693 13.5693 k = 0.4726 0.2729 0.1876 ( 1226 PWs) bands (ev): -18.4878 -18.4878 -13.1452 -13.1452 -9.6480 -9.6480 -4.9043 -4.9043 -2.0834 -2.0834 2.3380 2.3380 3.2611 3.2611 5.9945 5.9945 6.4092 6.4092 7.8009 7.8009 11.6622 11.6622 13.5990 13.5990 k = 0.4795 0.2768 0.1876 ( 1222 PWs) bands (ev): -18.4727 -18.4727 -13.1714 -13.1714 -9.6572 -9.6572 -4.8901 -4.8901 -2.0360 -2.0360 2.2830 2.2830 3.2334 3.2334 6.0017 6.0017 6.4183 6.4183 7.7976 7.7976 11.6511 11.6511 13.6224 13.6224 k = 0.4863 0.2808 0.1876 ( 1224 PWs) bands (ev): -18.4617 -18.4617 -13.1903 -13.1903 -9.6637 -9.6637 -4.8799 -4.8799 -2.0013 -2.0013 2.2427 2.2427 3.2136 3.2136 6.0067 6.0067 6.4248 6.4248 7.7952 7.7952 11.6431 11.6431 13.6393 13.6393 k = 0.4932 0.2847 0.1876 ( 1220 PWs) bands (ev): -18.4551 -18.4551 -13.2016 -13.2016 -9.6677 -9.6677 -4.8738 -4.8738 -1.9800 -1.9800 2.2182 2.2182 3.2018 3.2018 6.0097 6.0097 6.4288 6.4288 7.7937 7.7937 11.6383 11.6383 13.6496 13.6496 k = 0.5000 0.2887 0.1876 ( 1224 PWs) bands (ev): -18.4529 -18.4529 -13.2054 -13.2054 -9.6690 -9.6690 -4.8717 -4.8717 -1.9729 -1.9729 2.2099 2.2099 3.1978 3.1978 6.0107 6.0107 6.4300 6.4300 7.7932 7.7932 11.6367 11.6367 13.6530 13.6530 k = 0.5000 0.2887 0.1876 ( 1224 PWs) bands (ev): -18.4529 -18.4529 -13.2054 -13.2054 -9.6690 -9.6690 -4.8717 -4.8717 -1.9729 -1.9729 2.2099 2.2099 3.1978 3.1978 6.0107 6.0107 6.4300 6.4300 7.7932 7.7932 11.6367 11.6367 13.6530 13.6530 k = 0.4960 0.2955 0.1876 ( 1222 PWs) bands (ev): -18.4524 -18.4524 -13.2049 -13.2049 -9.6717 -9.6717 -4.8712 -4.8712 -1.9720 -1.9720 2.2113 2.2113 3.1989 3.1989 6.0152 6.0152 6.4309 6.4309 7.7900 7.7900 11.6275 11.6275 13.6527 13.6527 k = 0.4921 0.3024 0.1876 ( 1218 PWs) bands (ev): -18.4510 -18.4510 -13.2033 -13.2033 -9.6799 -9.6799 -4.8698 -4.8698 -1.9691 -1.9691 2.2154 2.2154 3.2020 3.2020 6.0283 6.0283 6.4335 6.4335 7.7801 7.7801 11.6001 11.6001 13.6521 13.6521 k = 0.4881 0.3093 0.1876 ( 1218 PWs) bands (ev): -18.4486 -18.4486 -13.2007 -13.2007 -9.6936 -9.6936 -4.8675 -4.8675 -1.9644 -1.9644 2.2222 2.2222 3.2071 3.2071 6.0499 6.0499 6.4380 6.4380 7.7636 7.7636 11.5548 11.5548 13.6508 13.6508 k = 0.4841 0.3162 0.1876 ( 1224 PWs) bands (ev): -18.4453 -18.4453 -13.1971 -13.1971 -9.7126 -9.7126 -4.8643 -4.8643 -1.9579 -1.9579 2.2318 2.2318 3.2143 3.2143 6.0794 6.0794 6.4447 6.4447 7.7406 7.7406 11.4922 11.4922 13.6490 13.6490 k = 0.4802 0.3230 0.1876 ( 1224 PWs) bands (ev): -18.4411 -18.4411 -13.1925 -13.1925 -9.7369 -9.7369 -4.8601 -4.8601 -1.9496 -1.9496 2.2442 2.2442 3.2236 3.2236 6.1163 6.1163 6.4543 6.4543 7.7114 7.7114 11.4129 11.4129 13.6467 13.6467 k = 0.4762 0.3299 0.1876 ( 1224 PWs) bands (ev): -18.4360 -18.4360 -13.1868 -13.1868 -9.7664 -9.7664 -4.8551 -4.8551 -1.9394 -1.9394 2.2593 2.2593 3.2349 3.2349 6.1594 6.1594 6.4678 6.4678 7.6759 7.6759 11.3180 11.3180 13.6438 13.6438 k = 0.4722 0.3368 0.1876 ( 1220 PWs) bands (ev): -18.4299 -18.4299 -13.1801 -13.1801 -9.8008 -9.8008 -4.8491 -4.8491 -1.9273 -1.9273 2.2771 2.2771 3.2483 3.2483 6.2065 6.2065 6.4870 6.4870 7.6345 7.6345 11.2085 11.2085 13.6405 13.6405 k = 0.4683 0.3437 0.1876 ( 1220 PWs) bands (ev): -18.4230 -18.4230 -13.1722 -13.1722 -9.8400 -9.8400 -4.8423 -4.8423 -1.9134 -1.9134 2.2976 2.2976 3.2637 3.2637 6.2545 6.2545 6.5152 6.5152 7.5871 7.5871 11.0854 11.0854 13.6364 13.6364 k = 0.4643 0.3505 0.1876 ( 1220 PWs) bands (ev): -18.4152 -18.4152 -13.1634 -13.1634 -9.8840 -9.8840 -4.8347 -4.8347 -1.8979 -1.8979 2.3209 2.3209 3.2812 3.2812 6.2992 6.2992 6.5560 6.5560 7.5342 7.5342 10.9499 10.9499 13.6317 13.6317 k = 0.4603 0.3574 0.1876 ( 1220 PWs) bands (ev): -18.4065 -18.4065 -13.1535 -13.1535 -9.9323 -9.9323 -4.8262 -4.8262 -1.8805 -1.8805 2.3468 2.3468 3.3008 3.3008 6.3367 6.3367 6.6132 6.6132 7.4758 7.4758 10.8031 10.8031 13.6264 13.6264 k = 0.4563 0.3643 0.1876 ( 1222 PWs) bands (ev): -18.3970 -18.3970 -13.1426 -13.1426 -9.9849 -9.9849 -4.8170 -4.8170 -1.8615 -1.8615 2.3755 2.3755 3.3224 3.3224 6.3661 6.3661 6.6874 6.6874 7.4122 7.4122 10.6462 10.6462 13.6203 13.6203 k = 0.4524 0.3712 0.1876 ( 1212 PWs) bands (ev): -18.3867 -18.3867 -13.1305 -13.1305 -10.0414 -10.0414 -4.8069 -4.8069 -1.8407 -1.8407 2.4069 2.4069 3.3461 3.3461 6.3892 6.3892 6.7767 6.7767 7.3440 7.3440 10.4803 10.4803 13.6136 13.6136 k = 0.4484 0.3780 0.1876 ( 1208 PWs) bands (ev): -18.3756 -18.3756 -13.1175 -13.1175 -10.1017 -10.1017 -4.7962 -4.7962 -1.8183 -1.8183 2.4409 2.4409 3.3718 3.3718 6.4080 6.4080 6.8786 6.8786 7.2711 7.2711 10.3065 10.3065 13.6060 13.6060 k = 0.4444 0.3849 0.1876 ( 1208 PWs) bands (ev): -18.3638 -18.3638 -13.1034 -13.1034 -10.1655 -10.1655 -4.7848 -4.7848 -1.7944 -1.7944 2.4776 2.4776 3.3996 3.3996 6.4242 6.4242 6.9910 6.9910 7.1938 7.1938 10.1258 10.1258 13.5975 13.5975 k = 0.4405 0.3918 0.1876 ( 1204 PWs) bands (ev): -18.3513 -18.3513 -13.0881 -13.0881 -10.2325 -10.2325 -4.7727 -4.7727 -1.7689 -1.7689 2.5170 2.5170 3.4295 3.4295 6.4388 6.4388 7.1112 7.1112 7.1140 7.1140 9.9392 9.9392 13.5881 13.5881 k = 0.4365 0.3986 0.1876 ( 1208 PWs) bands (ev): -18.3382 -18.3382 -13.0719 -13.0719 -10.3025 -10.3025 -4.7600 -4.7600 -1.7420 -1.7420 2.5590 2.5590 3.4614 3.4614 6.4525 6.4525 7.0274 7.0274 7.2426 7.2426 9.7475 9.7475 13.5777 13.5777 k = 0.4325 0.4055 0.1876 ( 1216 PWs) bands (ev): -18.3244 -18.3244 -13.0545 -13.0545 -10.3752 -10.3752 -4.7467 -4.7467 -1.7137 -1.7137 2.6036 2.6036 3.4954 3.4954 6.4657 6.4657 6.9388 6.9388 7.3800 7.3800 9.5516 9.5516 13.5662 13.5662 k = 0.4286 0.4124 0.1876 ( 1220 PWs) bands (ev): -18.3100 -18.3100 -13.0361 -13.0361 -10.4502 -10.4502 -4.7330 -4.7330 -1.6841 -1.6841 2.6508 2.6508 3.5314 3.5314 6.4785 6.4785 6.8472 6.8472 7.5242 7.5242 9.3522 9.3522 13.5537 13.5537 k = 0.4246 0.4193 0.1876 ( 1220 PWs) bands (ev): -18.2951 -18.2951 -13.0166 -13.0166 -10.5274 -10.5274 -4.7188 -4.7188 -1.6531 -1.6531 2.7005 2.7005 3.5695 3.5695 6.4912 6.4912 6.7530 6.7530 7.6748 7.6748 9.1503 9.1503 13.5401 13.5401 k = 0.4206 0.4261 0.1876 ( 1220 PWs) bands (ev): -18.2798 -18.2798 -12.9960 -12.9960 -10.6064 -10.6064 -4.7041 -4.7041 -1.6210 -1.6210 2.7528 2.7528 3.6098 3.6098 6.5038 6.5038 6.6563 6.6563 7.8312 7.8312 8.9464 8.9464 13.5253 13.5253 k = 0.4167 0.4330 0.1876 ( 1224 PWs) bands (ev): -18.2640 -18.2640 -12.9742 -12.9742 -10.6869 -10.6869 -4.6892 -4.6892 -1.5878 -1.5878 2.8076 2.8076 3.6521 3.6521 6.5156 6.5156 6.5579 6.5579 7.9930 7.9930 8.7412 8.7412 13.5091 13.5091 k = 0.4127 0.4399 0.1876 ( 1226 PWs) bands (ev): -18.2479 -18.2479 -12.9514 -12.9514 -10.7688 -10.7688 -4.6740 -4.6740 -1.5536 -1.5536 2.8648 2.8648 3.6966 3.6966 6.4552 6.4552 6.5300 6.5300 8.1598 8.1598 8.5352 8.5352 13.4917 13.4917 k = 0.4087 0.4468 0.1876 ( 1226 PWs) bands (ev): -18.2315 -18.2315 -12.9274 -12.9274 -10.8515 -10.8515 -4.6586 -4.6586 -1.5185 -1.5185 2.9245 2.9245 3.7432 3.7432 6.3530 6.3530 6.5422 6.5422 8.3283 8.3283 8.3319 8.3319 13.4728 13.4728 k = 0.4048 0.4536 0.1876 ( 1230 PWs) bands (ev): -18.2149 -18.2149 -12.9023 -12.9023 -10.9350 -10.9350 -4.6430 -4.6430 -1.4828 -1.4828 2.9865 2.9865 3.7920 3.7920 6.2491 6.2491 6.5545 6.5545 8.1235 8.1235 8.5064 8.5064 13.4525 13.4525 k = 0.4008 0.4605 0.1876 ( 1226 PWs) bands (ev): -18.1982 -18.1982 -12.8761 -12.8761 -11.0190 -11.0190 -4.6275 -4.6275 -1.4464 -1.4464 3.0509 3.0509 3.8430 3.8430 6.1442 6.1442 6.5669 6.5669 7.9188 7.9188 8.6854 8.6854 13.4306 13.4306 k = 0.3968 0.4674 0.1876 ( 1226 PWs) bands (ev): -18.1815 -18.1815 -12.8487 -12.8487 -11.1030 -11.1030 -4.6119 -4.6119 -1.4097 -1.4097 3.1175 3.1175 3.8962 3.8962 6.0384 6.0384 6.5791 6.5791 7.7156 7.7156 8.8674 8.8674 13.4072 13.4072 k = 0.3929 0.4743 0.1876 ( 1226 PWs) bands (ev): -18.1648 -18.1648 -12.8201 -12.8201 -11.1869 -11.1869 -4.5965 -4.5965 -1.3727 -1.3727 3.1863 3.1863 3.9516 3.9516 5.9320 5.9320 6.5911 6.5911 7.5145 7.5145 9.0520 9.0520 13.3820 13.3820 k = 0.3889 0.4811 0.1876 ( 1226 PWs) bands (ev): -18.1483 -18.1483 -12.7904 -12.7904 -11.2705 -11.2705 -4.5813 -4.5813 -1.3356 -1.3356 3.2572 3.2572 4.0094 4.0094 5.8252 5.8252 6.6028 6.6028 7.3159 7.3159 9.2387 9.2387 13.3552 13.3552 k = 0.3849 0.4880 0.1876 ( 1226 PWs) bands (ev): -18.1321 -18.1321 -12.7595 -12.7595 -11.3533 -11.3533 -4.5664 -4.5664 -1.2988 -1.2988 3.3301 3.3301 4.0696 4.0696 5.7183 5.7183 6.6143 6.6143 7.1203 7.1203 9.4266 9.4266 13.3265 13.3265 k = 0.3810 0.4949 0.1876 ( 1230 PWs) bands (ev): -18.1162 -18.1162 -12.7274 -12.7274 -11.4353 -11.4353 -4.5519 -4.5519 -1.2623 -1.2623 3.4050 3.4050 4.1322 4.1322 5.6114 5.6114 6.6253 6.6253 6.9283 6.9283 9.6152 9.6152 13.2960 13.2960 k = 0.3770 0.5017 0.1876 ( 1230 PWs) bands (ev): -18.1009 -18.1009 -12.6942 -12.6942 -11.5160 -11.5160 -4.5379 -4.5379 -1.2266 -1.2266 3.4817 3.4817 4.1973 4.1973 5.5048 5.5048 6.6359 6.6359 6.7406 6.7406 9.8035 9.8035 13.2636 13.2636 k = 0.3730 0.5086 0.1876 ( 1230 PWs) bands (ev): -18.0861 -18.0861 -12.6597 -12.6597 -11.5951 -11.5951 -4.5245 -4.5245 -1.1917 -1.1917 3.5600 3.5600 4.2650 4.2650 5.3986 5.3986 6.5574 6.5574 6.6460 6.6460 9.9905 9.9905 13.2291 13.2291 k = 0.3690 0.5155 0.1876 ( 1230 PWs) bands (ev): -18.0721 -18.0721 -12.6240 -12.6240 -11.6725 -11.6725 -4.5119 -4.5119 -1.1582 -1.1582 3.6400 3.6400 4.3354 4.3354 5.2930 5.2930 6.3796 6.3796 6.6555 6.6555 10.1751 10.1751 13.1904 13.1904 k = 0.3651 0.5224 0.1876 ( 1230 PWs) bands (ev): -18.0589 -18.0589 -12.5871 -12.5871 -11.7479 -11.7479 -4.5001 -4.5001 -1.1263 -1.1263 3.7213 3.7213 4.4087 4.4087 5.1881 5.1881 6.2077 6.2077 6.6643 6.6643 10.3557 10.3557 13.0916 13.0916 k = 0.3611 0.5292 0.1876 ( 1234 PWs) bands (ev): -18.0467 -18.0467 -12.5489 -12.5489 -11.8210 -11.8210 -4.4892 -4.4892 -1.0964 -1.0964 3.8039 3.8039 4.4848 4.4848 5.0840 5.0840 6.0423 6.0423 6.6724 6.6724 10.5302 10.5302 12.9939 12.9939 k = 0.3571 0.5361 0.1876 ( 1230 PWs) bands (ev): -18.0357 -18.0357 -12.5095 -12.5095 -11.8914 -11.8914 -4.4795 -4.4795 -1.0689 -1.0689 3.8877 3.8877 4.5640 4.5640 4.9812 4.9812 5.8840 5.8840 6.6798 6.6798 10.6960 10.6960 12.9045 12.9045 k = 0.3532 0.5430 0.1876 ( 1232 PWs) bands (ev): -18.0260 -18.0260 -12.4689 -12.4689 -11.9592 -11.9592 -4.4708 -4.4708 -1.0443 -1.0443 3.9723 3.9723 4.6463 4.6463 4.8795 4.8795 5.7333 5.7333 6.6861 6.6861 10.8496 10.8496 12.8265 12.8265 k = 0.3492 0.5499 0.1876 ( 1232 PWs) bands (ev): -18.0178 -18.0178 -12.4270 -12.4270 -12.0238 -12.0238 -4.4635 -4.4635 -1.0230 -1.0230 4.0577 4.0577 4.7318 4.7318 4.7797 4.7797 5.5908 5.5908 6.6915 6.6915 10.9862 10.9862 12.7638 12.7638 k = 0.3452 0.5567 0.1876 ( 1236 PWs) bands (ev): -18.0111 -18.0111 -12.3838 -12.3838 -12.0851 -12.0851 -4.4577 -4.4577 -1.0055 -1.0055 4.1437 4.1437 4.6812 4.6812 4.8212 4.8212 5.4568 5.4568 6.6958 6.6958 11.1003 11.1003 12.7216 12.7216 k = 0.3413 0.5636 0.1876 ( 1236 PWs) bands (ev): -18.0061 -18.0061 -12.3393 -12.3393 -12.1427 -12.1427 -4.4533 -4.4533 -0.9924 -0.9924 4.2302 4.2302 4.5856 4.5856 4.9137 4.9137 5.3319 5.3319 6.6990 6.6990 11.1855 11.1855 12.7054 12.7054 k = 0.3373 0.5705 0.1876 ( 1228 PWs) bands (ev): -18.0030 -18.0030 -12.2935 -12.2935 -12.1965 -12.1965 -4.4506 -4.4506 -0.9840 -0.9840 4.3169 4.3169 4.4930 4.4930 5.0099 5.0099 5.2162 5.2162 6.7012 6.7012 11.2371 11.2371 12.7192 12.7192 k = 0.3333 0.5774 0.1876 ( 1236 PWs) bands (ev): -18.0020 -18.0020 -12.2487 -12.2487 -12.2442 -12.2442 -4.4497 -4.4497 -0.9812 -0.9812 4.4000 4.4000 4.4076 4.4076 5.1079 5.1079 5.1117 5.1117 6.7018 6.7018 11.2539 11.2539 12.7595 12.7595 k = 0.3333 0.5774 0.1876 ( 1236 PWs) bands (ev): -18.0020 -18.0020 -12.2487 -12.2487 -12.2442 -12.2442 -4.4497 -4.4497 -0.9812 -0.9812 4.4000 4.4000 4.4076 4.4076 5.1079 5.1079 5.1117 5.1117 6.7018 6.7018 11.2539 11.2539 12.7595 12.7598 k = 0.3294 0.5705 0.1876 ( 1232 PWs) bands (ev): -18.0031 -18.0031 -12.2921 -12.2921 -12.1980 -12.1980 -4.4507 -4.4507 -0.9842 -0.9842 4.3192 4.3192 4.4909 4.4909 5.0127 5.0127 5.2135 5.2135 6.7011 6.7011 11.2387 11.2387 12.7036 12.7036 k = 0.3254 0.5636 0.1876 ( 1240 PWs) bands (ev): -18.0065 -18.0065 -12.3332 -12.3332 -12.1484 -12.1484 -4.4536 -4.4536 -0.9938 -0.9938 4.2398 4.2398 4.5777 4.5777 4.9247 4.9247 5.3209 5.3209 6.6988 6.6988 11.1976 11.1976 12.6410 12.6410 k = 0.3214 0.5567 0.1876 ( 1240 PWs) bands (ev): -18.0122 -18.0122 -12.3696 -12.3696 -12.0973 -12.0973 -4.4586 -4.4586 -1.0100 -1.0100 4.1665 4.1665 4.6646 4.6646 4.8459 4.8459 5.4321 5.4321 6.6951 6.6951 11.1367 11.1367 12.5756 12.5756 k = 0.3175 0.5499 0.1876 ( 1240 PWs) bands (ev): -18.0205 -18.0205 -12.4013 -12.4013 -12.0449 -12.0449 -4.4658 -4.4658 -1.0334 -1.0334 4.0999 4.0999 4.7509 4.7509 4.7763 4.7763 5.5470 5.5470 6.6898 6.6898 11.0615 11.0615 12.5074 12.5074 k = 0.3135 0.5430 0.1876 ( 1236 PWs) bands (ev): -18.0313 -18.0313 -12.4279 -12.4279 -11.9910 -11.9910 -4.4753 -4.4753 -1.0643 -1.0643 4.0407 4.0407 4.7146 4.7146 4.8381 4.8381 5.6658 5.6658 6.6829 6.6829 10.9762 10.9762 12.4364 12.4364 k = 0.3095 0.5361 0.1876 ( 1236 PWs) bands (ev): -18.0448 -18.0448 -12.4495 -12.4495 -11.9359 -11.9359 -4.4871 -4.4871 -1.1029 -1.1029 3.9894 3.9894 4.6620 4.6620 4.9244 4.9244 5.7882 5.7882 6.6743 6.6743 10.8836 10.8836 12.3625 12.3625 k = 0.3056 0.5292 0.1876 ( 1232 PWs) bands (ev): -18.0609 -18.0609 -12.4658 -12.4658 -11.8793 -11.8793 -4.5012 -4.5012 -1.1492 -1.1492 3.9463 3.9463 4.6180 4.6180 5.0106 5.0106 5.9142 5.9142 6.6639 6.6639 10.7859 10.7859 12.2856 12.2856 k = 0.3016 0.5224 0.1876 ( 1236 PWs) bands (ev): -18.0799 -18.0799 -12.4768 -12.4768 -11.8214 -11.8214 -4.5179 -4.5179 -1.2032 -1.2032 3.9114 3.9114 4.5824 4.5824 5.0966 5.0966 6.0437 6.0437 6.6516 6.6516 10.6844 10.6844 12.2056 12.2056 k = 0.2976 0.5155 0.1876 ( 1236 PWs) bands (ev): -18.1015 -18.1015 -12.4825 -12.4825 -11.7621 -11.7621 -4.5370 -4.5370 -1.2648 -1.2648 3.8848 3.8848 4.5553 4.5553 5.1825 5.1825 6.1768 6.1768 6.6375 6.6375 10.5803 10.5803 12.1226 12.1226 k = 0.2937 0.5086 0.1876 ( 1236 PWs) bands (ev): -18.1259 -18.1259 -12.4827 -12.4827 -11.7013 -11.7013 -4.5586 -4.5586 -1.3337 -1.3337 3.8661 3.8661 4.5368 4.5368 5.2681 5.2681 6.3133 6.3133 6.6215 6.6215 10.4743 10.4743 12.0366 12.0366 k = 0.2897 0.5017 0.1876 ( 1232 PWs) bands (ev): -18.1530 -18.1530 -12.4774 -12.4774 -11.6391 -11.6391 -4.5828 -4.5828 -1.4097 -1.4097 3.8552 3.8552 4.5269 4.5269 5.3537 5.3537 6.4532 6.4532 6.6035 6.6035 10.3670 10.3670 11.9474 11.9474 k = 0.2857 0.4949 0.1876 ( 1228 PWs) bands (ev): -18.1828 -18.1828 -12.4667 -12.4667 -11.5754 -11.5754 -4.6095 -4.6095 -1.4922 -1.4922 3.8515 3.8515 4.5257 4.5257 5.4391 5.4391 6.5833 6.5833 6.5966 6.5966 10.2587 10.2587 11.8550 11.8550 k = 0.2817 0.4880 0.1876 ( 1232 PWs) bands (ev): -18.2152 -18.2152 -12.4506 -12.4506 -11.5104 -11.5104 -4.6388 -4.6388 -1.5808 -1.5808 3.8545 3.8545 4.5332 4.5332 5.5243 5.5243 6.5615 6.5615 6.7427 6.7427 10.1497 10.1497 11.7592 11.7592 k = 0.2778 0.4811 0.1876 ( 1230 PWs) bands (ev): -18.2501 -18.2501 -12.4291 -12.4291 -11.4438 -11.4438 -4.6705 -4.6705 -1.6750 -1.6750 3.8636 3.8636 4.5495 4.5495 5.6092 5.6092 6.5375 6.5375 6.8921 6.8921 10.0404 10.0404 11.6602 11.6602 k = 0.2738 0.4743 0.1876 ( 1230 PWs) bands (ev): -18.2874 -18.2874 -12.4023 -12.4023 -11.3759 -11.3759 -4.7048 -4.7048 -1.7743 -1.7743 3.8785 3.8785 4.5745 4.5745 5.6940 5.6940 6.5115 6.5115 7.0447 7.0447 9.9308 9.9308 11.5579 11.5579 k = 0.2698 0.4674 0.1876 ( 1232 PWs) bands (ev): -18.3271 -18.3271 -12.3703 -12.3703 -11.3064 -11.3064 -4.7414 -4.7414 -1.8781 -1.8781 3.8984 3.8984 4.6081 4.6081 5.7784 5.7784 6.4834 6.4834 7.2002 7.2002 9.8211 9.8211 11.4523 11.4523 k = 0.2659 0.4605 0.1876 ( 1236 PWs) bands (ev): -18.3690 -18.3690 -12.3331 -12.3331 -11.2355 -11.2355 -4.7804 -4.7804 -1.9859 -1.9859 3.9231 3.9231 4.6501 4.6501 5.8626 5.8626 6.4532 6.4532 7.3587 7.3587 9.7114 9.7114 11.3431 11.3431 k = 0.2619 0.4536 0.1876 ( 1232 PWs) bands (ev): -18.4129 -18.4129 -12.2907 -12.2907 -11.1631 -11.1631 -4.8217 -4.8217 -2.0970 -2.0970 3.9522 3.9522 4.7004 4.7004 5.9466 5.9466 6.4212 6.4212 7.5201 7.5201 9.6019 9.6019 11.2307 11.2307 k = 0.2579 0.4468 0.1876 ( 1232 PWs) bands (ev): -18.4588 -18.4588 -12.2435 -12.2435 -11.0892 -11.0892 -4.8653 -4.8653 -2.2112 -2.2112 3.9855 3.9855 4.7584 4.7584 6.0301 6.0301 6.3871 6.3871 7.6844 7.6844 9.4925 9.4925 11.1149 11.1149 k = 0.2540 0.4399 0.1876 ( 1232 PWs) bands (ev): -18.5064 -18.5064 -12.1915 -12.1915 -11.0139 -11.0139 -4.9109 -4.9109 -2.3278 -2.3278 4.0227 4.0227 4.8239 4.8239 6.1133 6.1133 6.3511 6.3511 7.8515 7.8515 9.3832 9.3832 10.9956 10.9956 k = 0.2500 0.4330 0.1876 ( 1228 PWs) bands (ev): -18.5557 -18.5557 -12.1347 -12.1347 -10.9370 -10.9370 -4.9586 -4.9586 -2.4464 -2.4464 4.0637 4.0637 4.8963 4.8963 6.1960 6.1960 6.3132 6.3132 8.0213 8.0213 9.2742 9.2742 10.8730 10.8730 k = 0.2460 0.4261 0.1876 ( 1228 PWs) bands (ev): -18.6065 -18.6065 -12.0733 -12.0733 -10.8586 -10.8586 -5.0082 -5.0082 -2.5666 -2.5666 4.1084 4.1084 4.9752 4.9752 6.2688 6.2688 6.2829 6.2829 8.1939 8.1939 9.1654 9.1654 10.7470 10.7470 k = 0.2421 0.4193 0.1876 ( 1224 PWs) bands (ev): -18.6587 -18.6587 -12.0075 -12.0075 -10.7787 -10.7787 -5.0596 -5.0596 -2.6881 -2.6881 4.1567 4.1567 5.0603 5.0603 6.2309 6.2309 6.3609 6.3609 8.3691 8.3691 9.0568 9.0568 10.6176 10.6176 k = 0.2381 0.4124 0.1876 ( 1222 PWs) bands (ev): -18.7120 -18.7120 -11.9374 -11.9374 -10.6973 -10.6973 -5.1127 -5.1127 -2.8104 -2.8104 4.2085 4.2085 5.1509 5.1509 6.1877 6.1877 6.4420 6.4420 8.5469 8.5469 8.9483 8.9483 10.4849 10.4849 k = 0.2341 0.4055 0.1876 ( 1222 PWs) bands (ev): -18.7665 -18.7665 -11.8630 -11.8630 -10.6144 -10.6144 -5.1674 -5.1674 -2.9333 -2.9333 4.2638 4.2638 5.2467 5.2467 6.1425 6.1425 6.5226 6.5226 8.7273 8.7273 8.8401 8.8401 10.3488 10.3488 k = 0.2302 0.3986 0.1876 ( 1222 PWs) bands (ev): -18.8218 -18.8218 -11.7846 -11.7846 -10.5300 -10.5300 -5.2235 -5.2235 -3.0564 -3.0564 4.3226 4.3226 5.3471 5.3471 6.0958 6.0958 6.6026 6.6026 8.7318 8.7318 8.9103 8.9103 10.2095 10.2095 k = 0.2262 0.3918 0.1876 ( 1222 PWs) bands (ev): -18.8779 -18.8779 -11.7023 -11.7023 -10.4440 -10.4440 -5.2809 -5.2809 -3.1795 -3.1795 4.3847 4.3847 5.4519 5.4519 6.0475 6.0475 6.6819 6.6819 8.6237 8.6237 9.0957 9.0957 10.0669 10.0669 k = 0.2222 0.3849 0.1876 ( 1226 PWs) bands (ev): -18.9347 -18.9347 -11.6162 -11.6162 -10.3566 -10.3566 -5.3396 -5.3396 -3.3024 -3.3024 4.4501 4.4501 5.5605 5.5605 5.9977 5.9977 6.7604 6.7604 8.5156 8.5156 9.2836 9.2836 9.9211 9.9211 k = 0.2183 0.3780 0.1876 ( 1222 PWs) bands (ev): -18.9920 -18.9920 -11.5263 -11.5263 -10.2676 -10.2676 -5.3994 -5.3994 -3.4248 -3.4248 4.5188 4.5188 5.6728 5.6728 5.9467 5.9467 6.8381 6.8381 8.4074 8.4074 9.4738 9.4738 9.7722 9.7722 k = 0.2143 0.3712 0.1876 ( 1222 PWs) bands (ev): -19.0497 -19.0497 -11.4329 -11.4329 -10.1771 -10.1771 -5.4601 -5.4601 -3.5465 -3.5465 4.5905 4.5905 5.7883 5.7883 5.8943 5.8943 6.9149 6.9149 8.2990 8.2990 9.6202 9.6202 9.6664 9.6664 k = 0.2103 0.3643 0.1876 ( 1218 PWs) bands (ev): -19.1077 -19.1077 -11.3360 -11.3360 -10.0851 -10.0851 -5.5216 -5.5216 -3.6673 -3.6673 4.6654 4.6654 5.8407 5.8407 5.9067 5.9067 6.9908 6.9908 8.1904 8.1904 9.4653 9.4653 9.8613 9.8613 k = 0.2063 0.3574 0.1876 ( 1222 PWs) bands (ev): -19.1658 -19.1658 -11.2357 -11.2357 -9.9915 -9.9915 -5.5839 -5.5839 -3.7872 -3.7872 4.7430 4.7430 5.7861 5.7861 6.0276 6.0276 7.0657 7.0657 8.0815 8.0815 9.3075 9.3075 10.0584 10.0584 k = 0.2024 0.3505 0.1876 ( 1226 PWs) bands (ev): -19.2241 -19.2241 -11.1322 -11.1322 -9.8965 -9.8965 -5.6468 -5.6468 -3.9059 -3.9059 4.8234 4.8234 5.7306 5.7306 6.1509 6.1509 7.1395 7.1395 7.9721 7.9721 9.1468 9.1468 10.2577 10.2577 k = 0.1984 0.3437 0.1876 ( 1226 PWs) bands (ev): -19.2822 -19.2822 -11.0255 -11.0255 -9.8000 -9.8000 -5.7101 -5.7101 -4.0232 -4.0232 4.9066 4.9066 5.6742 5.6742 6.2762 6.2762 7.2122 7.2122 7.8621 7.8621 8.9835 8.9835 10.4592 10.4592 k = 0.1944 0.3368 0.1876 ( 1218 PWs) bands (ev): -19.3403 -19.3403 -10.9158 -10.9158 -9.7020 -9.7020 -5.7739 -5.7739 -4.1391 -4.1391 4.9926 4.9926 5.6171 5.6171 6.4033 6.4033 7.2838 7.2838 7.7514 7.7514 8.8176 8.8176 10.6627 10.6627 k = 0.1905 0.3299 0.1876 ( 1218 PWs) bands (ev): -19.3981 -19.3981 -10.8031 -10.8031 -9.6025 -9.6025 -5.8379 -5.8379 -4.2535 -4.2535 5.0808 5.0808 5.5593 5.5593 6.5319 6.5319 7.3541 7.3541 7.6400 7.6400 8.6491 8.6491 10.8682 10.8682 k = 0.1865 0.3230 0.1876 ( 1220 PWs) bands (ev): -19.4556 -19.4556 -10.6876 -10.6876 -9.5016 -9.5016 -5.9020 -5.9020 -4.3663 -4.3663 5.1712 5.1712 5.5010 5.5010 6.6617 6.6617 7.4232 7.4232 7.5275 7.5275 8.4783 8.4783 11.0757 11.0757 k = 0.1825 0.3162 0.1876 ( 1220 PWs) bands (ev): -19.5128 -19.5128 -10.5693 -10.5693 -9.3992 -9.3992 -5.9662 -5.9662 -4.4773 -4.4773 5.2639 5.2639 5.4424 5.4424 6.7926 6.7926 7.4139 7.4139 7.4911 7.4911 8.3053 8.3053 11.2850 11.2850 k = 0.1786 0.3093 0.1876 ( 1220 PWs) bands (ev): -19.5695 -19.5695 -10.4483 -10.4483 -9.2953 -9.2953 -6.0304 -6.0304 -4.5864 -4.5864 5.3576 5.3576 5.3843 5.3843 6.9243 6.9243 7.2991 7.2991 7.5575 7.5575 8.1301 8.1301 11.4961 11.4961 k = 0.1746 0.3024 0.1876 ( 1216 PWs) bands (ev): -19.6256 -19.6256 -10.3247 -10.3247 -9.1900 -9.1900 -6.0945 -6.0945 -4.6937 -4.6937 5.3237 5.3237 5.4556 5.4556 7.0565 7.0565 7.1829 7.1829 7.6227 7.6227 7.9530 7.9530 11.7090 11.7090 k = 0.1706 0.2955 0.1876 ( 1220 PWs) bands (ev): -19.6812 -19.6812 -10.1987 -10.1987 -9.0834 -9.0834 -6.1583 -6.1583 -4.7990 -4.7990 5.2644 5.2644 5.5538 5.5538 7.0652 7.0652 7.1891 7.1891 7.6863 7.6863 7.7740 7.7740 11.9234 11.9234 k = 0.1667 0.2887 0.1876 ( 1216 PWs) bands (ev): -19.7360 -19.7360 -10.0702 -10.0702 -8.9754 -8.9754 -6.2218 -6.2218 -4.9022 -4.9022 5.2050 5.2050 5.6539 5.6539 6.9457 6.9457 7.3218 7.3218 7.5933 7.5933 7.7485 7.7485 11.8145 11.8145 k = 0.1627 0.2818 0.1876 ( 1216 PWs) bands (ev): -19.7902 -19.7902 -9.9394 -9.9394 -8.8661 -8.8661 -6.2849 -6.2849 -5.0034 -5.0034 5.1457 5.1457 5.7553 5.7553 6.8244 6.8244 7.4106 7.4106 7.4547 7.4547 7.8092 7.8092 11.6897 11.6897 k = 0.1587 0.2749 0.1876 ( 1212 PWs) bands (ev): -19.8436 -19.8436 -9.8063 -9.8063 -8.7555 -8.7555 -6.3475 -6.3475 -5.1024 -5.1024 5.0866 5.0866 5.8582 5.8582 6.7010 6.7010 7.2272 7.2272 7.5866 7.5866 7.8685 7.8685 11.5639 11.5639 k = 0.1548 0.2681 0.1876 ( 1208 PWs) bands (ev): -19.8961 -19.8961 -9.6711 -9.6711 -8.6435 -8.6435 -6.4096 -6.4096 -5.1991 -5.1991 5.0277 5.0277 5.9621 5.9621 6.5756 6.5756 7.0423 7.0423 7.7182 7.7182 7.9261 7.9261 11.4377 11.4377 k = 0.1508 0.2612 0.1876 ( 1200 PWs) bands (ev): -19.9478 -19.9478 -9.5338 -9.5338 -8.5303 -8.5303 -6.4710 -6.4710 -5.2937 -5.2937 4.9691 4.9691 6.0671 6.0671 6.4479 6.4479 6.8563 6.8563 7.8490 7.8490 7.9824 7.9824 11.3113 11.3113 k = 0.1468 0.2543 0.1876 ( 1196 PWs) bands (ev): -19.9985 -19.9985 -9.3946 -9.3946 -8.4159 -8.4159 -6.5318 -6.5318 -5.3859 -5.3859 4.9109 4.9109 6.1729 6.1729 6.3178 6.3178 6.6693 6.6693 7.9788 7.9788 8.0370 8.0370 11.1851 11.1851 k = 0.1429 0.2474 0.1876 ( 1192 PWs) bands (ev): -20.0483 -20.0483 -9.2534 -9.2534 -8.3004 -8.3004 -6.5917 -6.5917 -5.4758 -5.4758 4.8531 4.8531 6.1853 6.1853 6.2794 6.2794 6.4816 6.4816 8.0898 8.0898 8.1074 8.1074 11.0595 11.0595 k = 0.1389 0.2406 0.1876 ( 1196 PWs) bands (ev): -20.0971 -20.0971 -9.1105 -9.1105 -8.1838 -8.1838 -6.6508 -6.6508 -5.5634 -5.5634 4.7957 4.7957 6.0503 6.0503 6.2931 6.2931 6.3863 6.3863 8.1411 8.1411 8.2343 8.2343 10.9349 10.9349 k = 0.1349 0.2337 0.1876 ( 1200 PWs) bands (ev): -20.1449 -20.1449 -8.9660 -8.9660 -8.0662 -8.0662 -6.7090 -6.7090 -5.6486 -5.6486 4.7389 4.7389 5.9129 5.9129 6.1042 6.1042 6.4935 6.4935 8.1907 8.1907 8.3595 8.3595 10.8117 10.8117 k = 0.1310 0.2268 0.1876 ( 1204 PWs) bands (ev): -20.1916 -20.1916 -8.8198 -8.8198 -7.9476 -7.9476 -6.7663 -6.7663 -5.7314 -5.7314 4.6825 4.6825 5.7730 5.7730 5.9152 5.9152 6.6009 6.6009 8.2388 8.2388 8.4828 8.4828 10.6904 10.6904 k = 0.1270 0.2199 0.1876 ( 1204 PWs) bands (ev): -20.2371 -20.2371 -8.6722 -8.6722 -7.8281 -7.8281 -6.8225 -6.8225 -5.8117 -5.8117 4.6266 4.6266 5.6307 5.6307 5.7261 5.7261 6.7084 6.7084 8.2852 8.2852 8.6039 8.6039 10.5712 10.5712 k = 0.1230 0.2131 0.1876 ( 1204 PWs) bands (ev): -20.2816 -20.2816 -8.5232 -8.5232 -7.7077 -7.7077 -6.8776 -6.8776 -5.8896 -5.8896 4.5711 4.5711 5.4863 5.4863 5.5371 5.5371 6.8157 6.8157 8.3299 8.3299 8.7225 8.7225 10.4545 10.4545 k = 0.1190 0.2062 0.1876 ( 1206 PWs) bands (ev): -20.3248 -20.3248 -8.3729 -8.3729 -7.5866 -7.5866 -6.9316 -6.9316 -5.9650 -5.9650 4.5158 4.5158 5.3400 5.3400 5.3484 5.3484 6.9226 6.9226 8.3730 8.3730 8.8386 8.8386 10.3405 10.3405 k = 0.1151 0.1993 0.1876 ( 1206 PWs) bands (ev): -20.3668 -20.3668 -8.2216 -8.2216 -7.4649 -7.4649 -6.9844 -6.9844 -6.0379 -6.0379 4.4603 4.4603 5.1603 5.1603 5.1924 5.1924 7.0290 7.0290 8.4145 8.4145 8.9518 8.9518 10.2297 10.2297 k = 0.1111 0.1925 0.1876 ( 1206 PWs) bands (ev): -20.4076 -20.4076 -8.0693 -8.0693 -7.3426 -7.3426 -7.0359 -7.0359 -6.1084 -6.1084 4.4041 4.4041 4.9728 4.9728 5.0442 5.0442 7.1348 7.1348 8.4543 8.4543 9.0619 9.0619 10.1222 10.1222 k = 0.1071 0.1856 0.1876 ( 1210 PWs) bands (ev): -20.4472 -20.4472 -7.9161 -7.9161 -7.2199 -7.2199 -7.0861 -7.0861 -6.1763 -6.1763 4.3462 4.3462 4.7864 4.7864 4.8967 4.8967 7.2395 7.2395 8.4926 8.4926 9.1688 9.1688 10.0182 10.0182 k = 0.1032 0.1787 0.1876 ( 1210 PWs) bands (ev): -20.4855 -20.4855 -7.7624 -7.7624 -7.1350 -7.1350 -7.0969 -7.0969 -6.2417 -6.2417 4.2846 4.2846 4.6011 4.6011 4.7520 4.7520 7.3433 7.3433 8.5292 8.5292 9.2722 9.2722 9.9180 9.9180 k = 0.0992 0.1718 0.1876 ( 1206 PWs) bands (ev): -20.5225 -20.5225 -7.6080 -7.6080 -7.1825 -7.1825 -6.9738 -6.9738 -6.3046 -6.3046 4.2159 4.2159 4.4172 4.4172 4.6138 4.6138 7.4459 7.4459 8.5642 8.5642 9.3719 9.3719 9.8216 9.8216 k = 0.0952 0.1650 0.1876 ( 1202 PWs) bands (ev): -20.5582 -20.5582 -7.4535 -7.4535 -7.2285 -7.2285 -6.8506 -6.8506 -6.3649 -6.3649 4.1346 4.1346 4.2350 4.2350 4.4882 4.4882 7.5469 7.5469 8.5978 8.5978 9.4679 9.4679 9.7292 9.7292 k = 0.0913 0.1581 0.1876 ( 1202 PWs) bands (ev): -20.5925 -20.5925 -7.2989 -7.2989 -7.2730 -7.2730 -6.7277 -6.7277 -6.4228 -6.4228 4.0344 4.0344 4.0547 4.0547 4.3816 4.3816 7.6462 7.6462 8.6297 8.6297 9.5598 9.5598 9.6408 9.6408 k = 0.0873 0.1512 0.1876 ( 1202 PWs) bands (ev): -20.6255 -20.6255 -7.3160 -7.3160 -7.1445 -7.1445 -6.6052 -6.6052 -6.4781 -6.4781 3.8767 3.8767 3.9132 3.9132 4.2965 4.2965 7.7436 7.7436 8.6600 8.6600 9.5564 9.5564 9.6478 9.6478 k = 0.0833 0.1443 0.1876 ( 1202 PWs) bands (ev): -20.6572 -20.6572 -7.3574 -7.3574 -6.9905 -6.9905 -6.5311 -6.5311 -6.4831 -6.4831 3.7011 3.7011 3.7755 3.7755 4.2291 4.2291 7.8389 7.8389 8.6888 8.6888 9.4763 9.4763 9.7315 9.7315 k = 0.0794 0.1375 0.1876 ( 1202 PWs) bands (ev): -20.6874 -20.6874 -7.3971 -7.3971 -6.8373 -6.8373 -6.5812 -6.5812 -6.3621 -6.3621 3.5284 3.5284 3.6274 3.6274 4.1734 4.1734 7.9318 7.9318 8.7161 8.7161 9.4003 9.4003 9.8108 9.8108 k = 0.0754 0.1306 0.1876 ( 1202 PWs) bands (ev): -20.7163 -20.7163 -7.4352 -7.4352 -6.6852 -6.6852 -6.6289 -6.6289 -6.2422 -6.2422 3.3589 3.3589 3.4737 3.4737 4.1256 4.1256 8.0223 8.0223 8.7418 8.7418 9.3284 9.3284 9.8858 9.8858 k = 0.0714 0.1237 0.1876 ( 1198 PWs) bands (ev): -20.7438 -20.7438 -7.4716 -7.4716 -6.6743 -6.6743 -6.5343 -6.5343 -6.1236 -6.1236 3.1929 3.1929 3.3172 3.3172 4.0830 4.0830 8.1099 8.1099 8.7663 8.7663 9.2606 9.2606 9.9564 9.9564 k = 0.0675 0.1168 0.1876 ( 1198 PWs) bands (ev): -20.7698 -20.7698 -7.5063 -7.5063 -6.7171 -6.7171 -6.3854 -6.3854 -6.0068 -6.0068 3.0309 3.0309 3.1599 3.1599 4.0444 4.0444 8.1946 8.1946 8.7891 8.7891 9.1969 9.1969 10.0225 10.0225 k = 0.0635 0.1100 0.1876 ( 1198 PWs) bands (ev): -20.7944 -20.7944 -7.5391 -7.5391 -6.7573 -6.7573 -6.2387 -6.2387 -5.8921 -5.8921 2.8732 2.8732 3.0033 3.0033 4.0090 4.0090 8.2761 8.2761 8.8105 8.8105 9.1372 9.1372 10.0841 10.0841 k = 0.0595 0.1031 0.1876 ( 1198 PWs) bands (ev): -20.8176 -20.8176 -7.5702 -7.5702 -6.7951 -6.7951 -6.0948 -6.0948 -5.7800 -5.7800 2.7204 2.7204 2.8483 2.8483 3.9764 3.9764 8.3541 8.3541 8.8305 8.8305 9.0815 9.0815 10.1413 10.1413 k = 0.0556 0.0962 0.1876 ( 1194 PWs) bands (ev): -20.8393 -20.8393 -7.5993 -7.5993 -6.8304 -6.8304 -5.9542 -5.9542 -5.6709 -5.6709 2.5729 2.5729 2.6962 2.6962 3.9463 3.9463 8.4287 8.4287 8.8491 8.8491 9.0298 9.0298 10.1941 10.1941 k = 0.0516 0.0894 0.1876 ( 1202 PWs) bands (ev): -20.8595 -20.8595 -7.6267 -7.6267 -6.8632 -6.8632 -5.8176 -5.8176 -5.5652 -5.5652 2.4312 2.4312 2.5477 2.5477 3.9185 3.9185 8.4990 8.4990 8.8663 8.8663 8.9819 8.9819 10.2425 10.2425 k = 0.0476 0.0825 0.1876 ( 1198 PWs) bands (ev): -20.8783 -20.8783 -7.6521 -7.6521 -6.8936 -6.8936 -5.6856 -5.6856 -5.4634 -5.4634 2.2961 2.2961 2.4039 2.4039 3.8930 3.8930 8.5654 8.5654 8.8822 8.8822 8.9379 8.9379 10.2867 10.2867 k = 0.0437 0.0756 0.1876 ( 1194 PWs) bands (ev): -20.8956 -20.8956 -7.6756 -7.6756 -6.9215 -6.9215 -5.5590 -5.5590 -5.3662 -5.3662 2.1680 2.1680 2.2658 2.2658 3.8696 3.8696 8.6275 8.6275 8.8939 8.8939 8.9005 8.9005 10.3268 10.3268 k = 0.0397 0.0687 0.1876 ( 1194 PWs) bands (ev): -20.9114 -20.9114 -7.6971 -7.6971 -6.9469 -6.9469 -5.4386 -5.4386 -5.2742 -5.2742 2.0477 2.0477 2.1343 2.1343 3.8483 3.8483 8.6849 8.6849 8.8606 8.8606 8.9105 8.9105 10.3628 10.3628 k = 0.0357 0.0619 0.1876 ( 1190 PWs) bands (ev): -20.9258 -20.9258 -7.7166 -7.7166 -6.9700 -6.9700 -5.3253 -5.3253 -5.1880 -5.1880 1.9358 1.9358 2.0105 2.0105 3.8291 3.8291 8.7376 8.7376 8.8278 8.8278 8.9225 8.9225 10.3948 10.3948 k = 0.0317 0.0550 0.1876 ( 1186 PWs) bands (ev): -20.9386 -20.9386 -7.7342 -7.7342 -6.9905 -6.9905 -5.2200 -5.2200 -5.1082 -5.1082 1.8329 1.8329 1.8955 1.8955 3.8119 3.8119 8.7846 8.7846 8.7993 8.7993 8.9332 8.9332 10.4231 10.4231 k = 0.0278 0.0481 0.1876 ( 1186 PWs) bands (ev): -20.9500 -20.9500 -7.7497 -7.7497 -7.0087 -7.0087 -5.1238 -5.1238 -5.0357 -5.0357 1.7400 1.7400 1.7905 1.7905 3.7967 3.7967 8.7723 8.7723 8.8285 8.8285 8.9426 8.9426 10.4476 10.4476 k = 0.0238 0.0412 0.1876 ( 1186 PWs) bands (ev): -20.9598 -20.9598 -7.7632 -7.7632 -7.0244 -7.0244 -5.0378 -5.0378 -4.9709 -4.9709 1.6575 1.6575 1.6965 1.6965 3.7836 3.7836 8.7501 8.7501 8.8656 8.8656 8.9510 8.9510 10.4685 10.4685 k = 0.0198 0.0344 0.1876 ( 1186 PWs) bands (ev): -20.9681 -20.9681 -7.7746 -7.7746 -7.0377 -7.0377 -4.9629 -4.9629 -4.9147 -4.9147 1.5863 1.5863 1.6146 1.6146 3.7725 3.7725 8.7314 8.7314 8.8971 8.8971 8.9582 8.9582 10.4860 10.4860 k = 0.0159 0.0275 0.1876 ( 1190 PWs) bands (ev): -20.9749 -20.9749 -7.7840 -7.7840 -7.0485 -7.0485 -4.9003 -4.9003 -4.8674 -4.8674 1.5270 1.5270 1.5460 1.5460 3.7634 3.7634 8.7161 8.7161 8.9226 8.9226 8.9644 8.9644 10.5000 10.5000 k = 0.0119 0.0206 0.1876 ( 1182 PWs) bands (ev): -20.9802 -20.9802 -7.7913 -7.7913 -7.0570 -7.0570 -4.8509 -4.8509 -4.8295 -4.8295 1.4801 1.4801 1.4916 1.4916 3.7563 3.7563 8.7042 8.7042 8.9422 8.9422 8.9700 8.9700 10.5110 10.5110 k = 0.0079 0.0137 0.1876 ( 1178 PWs) bands (ev): -20.9840 -20.9840 -7.7965 -7.7965 -7.0630 -7.0630 -4.8160 -4.8160 -4.8012 -4.8012 1.4459 1.4459 1.4525 1.4525 3.7513 3.7513 8.6957 8.6957 8.9549 8.9549 8.9752 8.9752 10.5188 10.5188 k = 0.0040 0.0069 0.1876 ( 1178 PWs) bands (ev): -20.9863 -20.9863 -7.7996 -7.7996 -7.0666 -7.0666 -4.7959 -4.7959 -4.7830 -4.7830 1.4246 1.4246 1.4294 1.4294 3.7483 3.7483 8.6906 8.6906 8.9614 8.9614 8.9795 8.9795 10.5234 10.5234 k = 0.0000 0.0000 0.1876 ( 1178 PWs) bands (ev): -20.9871 -20.9871 -7.8007 -7.8007 -7.0678 -7.0678 -4.7894 -4.7894 -4.7766 -4.7766 1.4172 1.4172 1.4218 1.4218 3.7473 3.7473 8.6889 8.6889 8.9632 8.9632 8.9812 8.9812 10.5250 10.5250 k = 0.5000 0.2887 0.1876 ( 1224 PWs) bands (ev): -18.4529 -18.4529 -13.2054 -13.2054 -9.6690 -9.6690 -4.8717 -4.8717 -1.9729 -1.9729 2.2099 2.2099 3.1978 3.1978 6.0107 6.0107 6.4300 6.4300 7.7932 7.7932 11.6367 11.6367 13.6530 13.6530 k = 0.5000 0.2887 0.1798 ( 1220 PWs) bands (ev): -18.4529 -18.4529 -13.2054 -13.2054 -9.6690 -9.6690 -4.8717 -4.8717 -1.9730 -1.9730 2.2104 2.2104 3.1972 3.1972 6.0109 6.0109 6.4302 6.4302 7.7932 7.7932 11.6369 11.6369 13.6548 13.6548 k = 0.5000 0.2887 0.1720 ( 1214 PWs) bands (ev): -18.4529 -18.4529 -13.2053 -13.2053 -9.6690 -9.6690 -4.8715 -4.8715 -1.9732 -1.9732 2.2119 2.2119 3.1951 3.1951 6.0116 6.0116 6.4306 6.4306 7.7932 7.7932 11.6375 11.6375 13.6603 13.6603 k = 0.5000 0.2887 0.1641 ( 1214 PWs) bands (ev): -18.4529 -18.4529 -13.2053 -13.2053 -9.6690 -9.6690 -4.8713 -4.8713 -1.9738 -1.9738 2.2144 2.2144 3.1916 3.1916 6.0126 6.0126 6.4311 6.4311 7.7932 7.7932 11.6383 11.6383 13.6692 13.6692 k = 0.5000 0.2887 0.1563 ( 1210 PWs) bands (ev): -18.4529 -18.4529 -13.2053 -13.2053 -9.6689 -9.6689 -4.8710 -4.8710 -1.9746 -1.9746 2.2179 2.2179 3.1868 3.1868 6.0140 6.0140 6.4317 6.4317 7.7934 7.7934 11.6396 11.6396 13.6815 13.6815 k = 0.5000 0.2887 0.1485 ( 1214 PWs) bands (ev): -18.4529 -18.4529 -13.2053 -13.2053 -9.6689 -9.6689 -4.8706 -4.8706 -1.9756 -1.9756 2.2223 2.2223 3.1807 3.1807 6.0158 6.0158 6.4324 6.4324 7.7934 7.7934 11.6411 11.6411 13.6969 13.6969 k = 0.5000 0.2887 0.1407 ( 1218 PWs) bands (ev): -18.4529 -18.4529 -13.2054 -13.2054 -9.6690 -9.6690 -4.8701 -4.8701 -1.9768 -1.9768 2.2276 2.2276 3.1734 3.1734 6.0178 6.0178 6.4333 6.4333 7.7933 7.7933 11.6429 11.6429 13.7155 13.7155 k = 0.5000 0.2887 0.1329 ( 1218 PWs) bands (ev): -18.4529 -18.4529 -13.2054 -13.2054 -9.6690 -9.6690 -4.8696 -4.8696 -1.9782 -1.9782 2.2337 2.2337 3.1650 3.1650 6.0202 6.0202 6.4344 6.4344 7.7934 7.7934 11.6449 11.6449 13.7370 13.7370 k = 0.5000 0.2887 0.1251 ( 1218 PWs) bands (ev): -18.4529 -18.4529 -13.2054 -13.2054 -9.6690 -9.6690 -4.8690 -4.8690 -1.9797 -1.9797 2.2406 2.2406 3.1555 3.1555 6.0228 6.0228 6.4355 6.4355 7.7934 7.7934 11.6473 11.6473 13.7610 13.7610 k = 0.5000 0.2887 0.1172 ( 1220 PWs) bands (ev): -18.4529 -18.4529 -13.2054 -13.2054 -9.6690 -9.6690 -4.8684 -4.8684 -1.9814 -1.9814 2.2482 2.2482 3.1452 3.1452 6.0255 6.0255 6.4368 6.4368 7.7934 7.7934 11.6498 11.6498 13.7873 13.7873 k = 0.5000 0.2887 0.1094 ( 1224 PWs) bands (ev): -18.4529 -18.4529 -13.2054 -13.2054 -9.6690 -9.6690 -4.8677 -4.8677 -1.9831 -1.9831 2.2565 2.2565 3.1342 3.1342 6.0284 6.0284 6.4381 6.4381 7.7934 7.7934 11.6524 11.6524 13.8154 13.8154 k = 0.5000 0.2887 0.1016 ( 1218 PWs) bands (ev): -18.4529 -18.4529 -13.2054 -13.2054 -9.6690 -9.6690 -4.8670 -4.8670 -1.9848 -1.9848 2.2652 2.2652 3.1225 3.1225 6.0315 6.0315 6.4397 6.4397 7.7935 7.7935 11.6552 11.6552 13.8450 13.8450 k = 0.5000 0.2887 0.0938 ( 1220 PWs) bands (ev): -18.4529 -18.4529 -13.2054 -13.2054 -9.6690 -9.6690 -4.8663 -4.8663 -1.9867 -1.9867 2.2743 2.2743 3.1103 3.1103 6.0346 6.0346 6.4411 6.4411 7.7936 7.7936 11.6581 11.6581 13.8756 13.8756 k = 0.5000 0.2887 0.0860 ( 1224 PWs) bands (ev): -18.4529 -18.4529 -13.2054 -13.2054 -9.6690 -9.6690 -4.8656 -4.8656 -1.9886 -1.9886 2.2837 2.2837 3.0980 3.0980 6.0376 6.0376 6.4425 6.4425 7.7936 7.7936 11.6609 11.6609 13.9068 13.9068 k = 0.5000 0.2887 0.0782 ( 1224 PWs) bands (ev): -18.4529 -18.4529 -13.2054 -13.2054 -9.6690 -9.6690 -4.8649 -4.8649 -1.9904 -1.9904 2.2932 2.2932 3.0856 3.0856 6.0405 6.0405 6.4440 6.4440 7.7936 7.7936 11.6638 11.6638 13.9380 13.9380 k = 0.5000 0.2887 0.0703 ( 1220 PWs) bands (ev): -18.4529 -18.4529 -13.2053 -13.2053 -9.6690 -9.6690 -4.8642 -4.8642 -1.9921 -1.9921 2.3027 2.3027 3.0734 3.0734 6.0434 6.0434 6.4455 6.4455 7.7937 7.7937 11.6665 11.6665 13.9688 13.9688 k = 0.5000 0.2887 0.0625 ( 1220 PWs) bands (ev): -18.4529 -18.4529 -13.2053 -13.2053 -9.6690 -9.6690 -4.8635 -4.8635 -1.9937 -1.9937 2.3119 2.3119 3.0615 3.0615 6.0460 6.0460 6.4469 6.4469 7.7937 7.7937 11.6692 11.6692 13.9984 13.9984 k = 0.5000 0.2887 0.0547 ( 1220 PWs) bands (ev): -18.4529 -18.4529 -13.2053 -13.2053 -9.6690 -9.6690 -4.8629 -4.8629 -1.9952 -1.9952 2.3207 2.3207 3.0502 3.0502 6.0485 6.0485 6.4482 6.4482 7.7937 7.7937 11.6717 11.6717 14.0263 14.0263 k = 0.5000 0.2887 0.0469 ( 1224 PWs) bands (ev): -18.4529 -18.4529 -13.2053 -13.2053 -9.6690 -9.6690 -4.8624 -4.8624 -1.9967 -1.9967 2.3289 2.3289 3.0398 3.0398 6.0507 6.0507 6.4493 6.4493 7.7937 7.7937 11.6739 11.6739 14.0520 14.0520 k = 0.5000 0.2887 0.0391 ( 1218 PWs) bands (ev): -18.4529 -18.4529 -13.2053 -13.2053 -9.6690 -9.6690 -4.8619 -4.8619 -1.9978 -1.9978 2.3363 2.3363 3.0305 3.0305 6.0526 6.0526 6.4504 6.4504 7.7938 7.7938 11.6759 11.6759 14.0749 14.0749 k = 0.5000 0.2887 0.0313 ( 1216 PWs) bands (ev): -18.4529 -18.4529 -13.2053 -13.2053 -9.6690 -9.6690 -4.8615 -4.8615 -1.9988 -1.9988 2.3427 2.3427 3.0224 3.0224 6.0543 6.0543 6.4514 6.4514 7.7939 7.7939 11.6776 11.6776 14.0944 14.0944 k = 0.5000 0.2887 0.0234 ( 1218 PWs) bands (ev): -18.4529 -18.4529 -13.2053 -13.2053 -9.6690 -9.6690 -4.8612 -4.8612 -1.9997 -1.9997 2.3479 2.3479 3.0159 3.0159 6.0555 6.0555 6.4521 6.4521 7.7939 7.7939 11.6789 11.6789 14.1101 14.1101 k = 0.5000 0.2887 0.0156 ( 1218 PWs) bands (ev): -18.4529 -18.4529 -13.2053 -13.2053 -9.6690 -9.6690 -4.8610 -4.8610 -2.0003 -2.0003 2.3517 2.3517 3.0112 3.0112 6.0565 6.0565 6.4526 6.4526 7.7939 7.7939 11.6799 11.6799 14.1216 14.1216 k = 0.5000 0.2887 0.0078 ( 1218 PWs) bands (ev): -18.4529 -18.4529 -13.2053 -13.2053 -9.6690 -9.6690 -4.8609 -4.8609 -2.0006 -2.0006 2.3541 2.3541 3.0082 3.0082 6.0570 6.0570 6.4529 6.4529 7.7939 7.7939 11.6805 11.6805 14.1287 14.1287 k = 0.5000 0.2887-0.0000 ( 1218 PWs) bands (ev): -18.4529 -18.4529 -13.2053 -13.2053 -9.6690 -9.6690 -4.8608 -4.8608 -2.0008 -2.0008 2.3549 2.3549 3.0073 3.0073 6.0572 6.0572 6.4530 6.4530 7.7939 7.7939 11.6807 11.6807 14.1310 14.1310 k = 0.3333 0.5774-0.0000 ( 1203 PWs) bands (ev): -18.0020 -18.0020 -12.2487 -12.2487 -12.2441 -12.2441 -4.4432 -4.4432 -1.0010 -1.0010 4.5972 4.5972 4.6086 4.6086 4.8749 4.8749 4.8749 4.8749 6.7546 6.7546 11.2482 11.2482 12.8485 12.8486 k = 0.3333 0.5774 0.0078 ( 1203 PWs) bands (ev): -18.0020 -18.0020 -12.2487 -12.2487 -12.2441 -12.2441 -4.4433 -4.4433 -1.0009 -1.0009 4.5957 4.5957 4.6070 4.6070 4.8765 4.8765 4.8766 4.8766 6.7544 6.7544 11.2483 11.2483 12.8481 12.8481 k = 0.3333 0.5774 0.0156 ( 1212 PWs) bands (ev): -18.0020 -18.0020 -12.2487 -12.2487 -12.2441 -12.2441 -4.4434 -4.4434 -1.0008 -1.0008 4.5912 4.5912 4.6023 4.6023 4.8814 4.8814 4.8817 4.8817 6.7536 6.7536 11.2483 11.2483 12.8469 12.8469 k = 0.3333 0.5774 0.0234 ( 1212 PWs) bands (ev): -18.0020 -18.0020 -12.2487 -12.2487 -12.2441 -12.2441 -4.4435 -4.4435 -1.0004 -1.0004 4.5841 4.5841 4.5949 4.5949 4.8892 4.8892 4.8898 4.8898 6.7524 6.7524 11.2484 11.2484 12.8450 12.8450 k = 0.3333 0.5774 0.0313 ( 1212 PWs) bands (ev): -18.0020 -18.0020 -12.2487 -12.2487 -12.2441 -12.2441 -4.4437 -4.4437 -0.9998 -0.9998 4.5750 4.5750 4.5855 4.5855 4.8994 4.8994 4.9003 4.9003 6.7509 6.7509 11.2486 11.2486 12.8424 12.8424 k = 0.3333 0.5774 0.0391 ( 1212 PWs) bands (ev): -18.0020 -18.0020 -12.2487 -12.2487 -12.2441 -12.2441 -4.4439 -4.4439 -0.9990 -0.9990 4.5643 4.5643 4.5744 4.5744 4.9114 4.9114 4.9127 4.9127 6.7490 6.7490 11.2488 11.2488 12.8392 12.8392 k = 0.3333 0.5774 0.0469 ( 1212 PWs) bands (ev): -18.0020 -18.0020 -12.2487 -12.2487 -12.2441 -12.2441 -4.4442 -4.4442 -0.9982 -0.9982 4.5525 4.5525 4.5623 4.5623 4.9248 4.9248 4.9264 4.9264 6.7467 6.7467 11.2491 11.2491 12.8354 12.8354 k = 0.3333 0.5774 0.0547 ( 1221 PWs) bands (ev): -18.0020 -18.0020 -12.2487 -12.2487 -12.2441 -12.2441 -4.4445 -4.4445 -0.9974 -0.9974 4.5399 4.5399 4.5494 4.5494 4.9391 4.9391 4.9410 4.9410 6.7439 6.7439 11.2493 11.2493 12.8310 12.8310 k = 0.3333 0.5774 0.0625 ( 1230 PWs) bands (ev): -18.0020 -18.0020 -12.2487 -12.2487 -12.2442 -12.2442 -4.4449 -4.4449 -0.9963 -0.9963 4.5269 4.5269 4.5361 4.5361 4.9539 4.9539 4.9561 4.9561 6.7410 6.7410 11.2496 11.2496 12.8260 12.8264 k = 0.3333 0.5774 0.0703 ( 1236 PWs) bands (ev): -18.0020 -18.0020 -12.2488 -12.2488 -12.2442 -12.2442 -4.4453 -4.4453 -0.9952 -0.9952 4.5139 4.5139 4.5229 4.5229 4.9690 4.9690 4.9714 4.9714 6.7379 6.7379 11.2500 11.2500 12.8208 12.8208 k = 0.3333 0.5774 0.0782 ( 1236 PWs) bands (ev): -18.0020 -18.0020 -12.2488 -12.2488 -12.2442 -12.2442 -4.4457 -4.4457 -0.9940 -0.9940 4.5011 4.5011 4.5098 4.5098 4.9840 4.9840 4.9867 4.9867 6.7346 6.7346 11.2503 11.2503 12.8153 12.8153 k = 0.3333 0.5774 0.0860 ( 1233 PWs) bands (ev): -18.0020 -18.0020 -12.2487 -12.2487 -12.2442 -12.2442 -4.4461 -4.4461 -0.9926 -0.9926 4.4886 4.4886 4.4971 4.4971 4.9989 4.9989 5.0017 5.0017 6.7313 6.7313 11.2507 11.2507 12.8097 12.8097 k = 0.3333 0.5774 0.0938 ( 1233 PWs) bands (ev): -18.0020 -18.0020 -12.2487 -12.2487 -12.2442 -12.2442 -4.4465 -4.4465 -0.9913 -0.9913 4.4765 4.4765 4.4849 4.4849 5.0132 5.0132 5.0163 5.0163 6.7279 6.7279 11.2511 11.2511 12.8039 12.8039 k = 0.3333 0.5774 0.1016 ( 1239 PWs) bands (ev): -18.0020 -18.0020 -12.2488 -12.2488 -12.2442 -12.2442 -4.4469 -4.4469 -0.9900 -0.9900 4.4651 4.4651 4.4733 4.4733 5.0270 5.0270 5.0301 5.0301 6.7244 6.7244 11.2514 11.2514 12.7980 12.7980 k = 0.3333 0.5774 0.1094 ( 1245 PWs) bands (ev): -18.0020 -18.0020 -12.2488 -12.2488 -12.2443 -12.2443 -4.4473 -4.4473 -0.9889 -0.9889 4.4544 4.4544 4.4625 4.4625 5.0400 5.0400 5.0433 5.0433 6.7209 6.7209 11.2518 11.2518 12.7923 12.7923 k = 0.3333 0.5774 0.1172 ( 1242 PWs) bands (ev): -18.0020 -18.0020 -12.2488 -12.2488 -12.2442 -12.2442 -4.4477 -4.4477 -0.9876 -0.9876 4.4445 4.4445 4.4525 4.4525 5.0522 5.0522 5.0556 5.0556 6.7177 6.7177 11.2521 11.2521 12.7868 12.7868 k = 0.3333 0.5774 0.1251 ( 1242 PWs) bands (ev): -18.0020 -18.0020 -12.2488 -12.2488 -12.2442 -12.2442 -4.4481 -4.4481 -0.9864 -0.9864 4.4354 4.4354 4.4433 4.4433 5.0633 5.0633 5.0668 5.0668 6.7146 6.7146 11.2525 11.2525 12.7816 12.7816 k = 0.3333 0.5774 0.1329 ( 1242 PWs) bands (ev): -18.0020 -18.0020 -12.2488 -12.2488 -12.2442 -12.2442 -4.4485 -4.4485 -0.9853 -0.9853 4.4273 4.4273 4.4352 4.4352 5.0734 5.0734 5.0770 5.0770 6.7117 6.7117 11.2528 11.2528 12.7768 12.7769 k = 0.3333 0.5774 0.1407 ( 1242 PWs) bands (ev): -18.0020 -18.0020 -12.2488 -12.2488 -12.2442 -12.2442 -4.4488 -4.4488 -0.9843 -0.9843 4.4202 4.4202 4.4280 4.4280 5.0823 5.0823 5.0860 5.0860 6.7092 6.7092 11.2530 11.2530 12.7724 12.7724 k = 0.3333 0.5774 0.1485 ( 1242 PWs) bands (ev): -18.0020 -18.0020 -12.2488 -12.2488 -12.2442 -12.2442 -4.4490 -4.4490 -0.9835 -0.9835 4.4141 4.4141 4.4218 4.4218 5.0900 5.0900 5.0937 5.0937 6.7069 6.7069 11.2533 11.2533 12.7686 12.7690 k = 0.3333 0.5774 0.1563 ( 1242 PWs) bands (ev): -18.0020 -18.0020 -12.2488 -12.2488 -12.2442 -12.2442 -4.4493 -4.4493 -0.9827 -0.9827 4.4091 4.4091 4.4167 4.4167 5.0964 5.0964 5.1001 5.1001 6.7050 6.7050 11.2535 11.2535 12.7654 12.7654 k = 0.3333 0.5774 0.1641 ( 1242 PWs) bands (ev): -18.0020 -18.0020 -12.2488 -12.2488 -12.2442 -12.2442 -4.4495 -4.4495 -0.9822 -0.9822 4.4051 4.4051 4.4128 4.4128 5.1014 5.1014 5.1052 5.1052 6.7035 6.7035 11.2536 11.2536 12.7628 12.7628 k = 0.3333 0.5774 0.1720 ( 1242 PWs) bands (ev): -18.0020 -18.0020 -12.2488 -12.2488 -12.2442 -12.2442 -4.4496 -4.4496 -0.9817 -0.9817 4.4023 4.4023 4.4099 4.4099 5.1050 5.1050 5.1088 5.1088 6.7024 6.7024 11.2538 11.2538 12.7610 12.7610 k = 0.3333 0.5774 0.1798 ( 1236 PWs) bands (ev): -18.0020 -18.0020 -12.2487 -12.2487 -12.2442 -12.2442 -4.4497 -4.4497 -0.9814 -0.9814 4.4006 4.4006 4.4082 4.4082 5.1071 5.1071 5.1110 5.1110 6.7019 6.7019 11.2538 11.2538 12.7599 12.7599 k = 0.3333 0.5774 0.1876 ( 1236 PWs) bands (ev): -18.0020 -18.0020 -12.2487 -12.2487 -12.2442 -12.2442 -4.4497 -4.4497 -0.9812 -0.9812 4.4000 4.4000 4.4076 4.4076 5.1079 5.1079 5.1117 5.1117 6.7018 6.7018 11.2539 11.2539 12.7595 12.7595 Writing output data file BN.save init_run : 0.12s CPU 0.71s WALL ( 1 calls) electrons : 33.63s CPU 37.93s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.19s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 33.63s CPU 37.92s 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 ( 479 calls) cegterg : 30.18s CPU 30.95s WALL ( 488 calls) Called by sum_band: Called by *egterg: h_psi : 15.12s CPU 16.11s WALL ( 6375 calls) s_psi : 0.38s CPU 0.35s WALL ( 6375 calls) g_psi : 0.03s CPU 0.03s WALL ( 5408 calls) cdiaghg : 14.95s CPU 14.94s WALL ( 5887 calls) cegterg:over : 0.88s CPU 0.97s WALL ( 5408 calls) cegterg:upda : 0.74s CPU 0.68s WALL ( 5408 calls) cegterg:last : 0.33s CPU 0.38s WALL ( 1277 calls) cdiaghg:chol : 0.82s CPU 0.77s WALL ( 5887 calls) cdiaghg:inve : 0.32s CPU 0.27s WALL ( 5887 calls) cdiaghg:para : 1.05s CPU 0.97s WALL ( 11774 calls) Called by h_psi: h_psi:vloc : 14.00s CPU 14.95s WALL ( 6375 calls) h_psi:vnl : 1.11s CPU 1.14s WALL ( 6375 calls) add_vuspsi : 0.44s CPU 0.45s WALL ( 6375 calls) General routines calbec : 0.65s CPU 0.68s WALL ( 6375 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 13.20s CPU 14.03s WALL ( 395100 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.09s CPU 0.10s WALL ( 958 calls) Parallel routines fft_scatter : 6.89s CPU 7.37s WALL ( 395123 calls) PWSCF : 0m41.28s CPU 1m30.98s WALL This run was terminated on: 15:45:54 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=