Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:31:33 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: ./LiBC.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 21 21 6 1214 1214 188 Max 23 23 7 1224 1224 196 Sum 769 769 223 43899 43899 6917 bravais-lattice index = 14 lattice parameter (alat) = 5.1930 a.u. unit-cell volume = 311.0465 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 20.00 number of Kohn-Sham states= 28 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.192967 celldm(2)= 1.000000 celldm(3)= 2.564767 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 2.564767 ) 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 0.389899 ) PseudoPot. # 1 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 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 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. # 3 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 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 Li 3.00 6.94100 Li( 1.00) B 3.00 10.81100 B( 1.00) C 4.00 12.01070 C( 1.00) 24 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.2823836 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.2823836 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.2823836 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.2823836 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.2823836 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.2823836 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(14) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.2823836 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.2823836 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.2823836 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.2823836 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(21) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.2823836 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.2823836 ) 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= 444 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022523 k( 2) = ( 0.0074627 0.0043086 -0.0000000), wk = 0.0022523 k( 3) = ( 0.0149254 0.0086172 -0.0000000), wk = 0.0022523 k( 4) = ( 0.0223881 0.0129258 -0.0000000), wk = 0.0022523 k( 5) = ( 0.0298507 0.0172343 -0.0000000), wk = 0.0022523 k( 6) = ( 0.0373134 0.0215429 -0.0000000), wk = 0.0022523 k( 7) = ( 0.0447761 0.0258515 -0.0000000), wk = 0.0022523 k( 8) = ( 0.0522388 0.0301601 -0.0000000), wk = 0.0022523 k( 9) = ( 0.0597015 0.0344687 -0.0000000), wk = 0.0022523 k( 10) = ( 0.0671642 0.0387773 -0.0000000), wk = 0.0022523 k( 11) = ( 0.0746269 0.0430858 -0.0000000), wk = 0.0022523 k( 12) = ( 0.0820895 0.0473944 -0.0000000), wk = 0.0022523 k( 13) = ( 0.0895522 0.0517030 -0.0000000), wk = 0.0022523 k( 14) = ( 0.0970149 0.0560116 -0.0000000), wk = 0.0022523 k( 15) = ( 0.1044776 0.0603202 -0.0000000), wk = 0.0022523 k( 16) = ( 0.1119403 0.0646288 -0.0000000), wk = 0.0022523 k( 17) = ( 0.1194030 0.0689373 -0.0000000), wk = 0.0022523 k( 18) = ( 0.1268657 0.0732459 -0.0000000), wk = 0.0022523 k( 19) = ( 0.1343284 0.0775545 -0.0000000), wk = 0.0022523 k( 20) = ( 0.1417910 0.0818631 -0.0000000), wk = 0.0022523 k( 21) = ( 0.1492537 0.0861717 -0.0000000), wk = 0.0022523 k( 22) = ( 0.1567164 0.0904803 -0.0000000), wk = 0.0022523 k( 23) = ( 0.1641791 0.0947888 -0.0000000), wk = 0.0022523 k( 24) = ( 0.1716418 0.0990974 -0.0000000), wk = 0.0022523 k( 25) = ( 0.1791045 0.1034060 -0.0000000), wk = 0.0022523 k( 26) = ( 0.1865672 0.1077146 -0.0000000), wk = 0.0022523 k( 27) = ( 0.1940299 0.1120232 -0.0000000), wk = 0.0022523 k( 28) = ( 0.2014925 0.1163318 -0.0000000), wk = 0.0022523 k( 29) = ( 0.2089552 0.1206404 -0.0000000), wk = 0.0022523 k( 30) = ( 0.2164179 0.1249489 -0.0000000), wk = 0.0022523 k( 31) = ( 0.2238806 0.1292575 -0.0000000), wk = 0.0022523 k( 32) = ( 0.2313433 0.1335661 -0.0000000), wk = 0.0022523 k( 33) = ( 0.2388060 0.1378747 -0.0000000), wk = 0.0022523 k( 34) = ( 0.2462687 0.1421833 -0.0000000), wk = 0.0022523 k( 35) = ( 0.2537313 0.1464919 -0.0000000), wk = 0.0022523 k( 36) = ( 0.2611940 0.1508004 -0.0000000), wk = 0.0022523 k( 37) = ( 0.2686567 0.1551090 -0.0000000), wk = 0.0022523 k( 38) = ( 0.2761194 0.1594176 -0.0000000), wk = 0.0022523 k( 39) = ( 0.2835821 0.1637262 -0.0000000), wk = 0.0022523 k( 40) = ( 0.2910448 0.1680348 -0.0000000), wk = 0.0022523 k( 41) = ( 0.2985075 0.1723434 -0.0000000), wk = 0.0022523 k( 42) = ( 0.3059701 0.1766519 -0.0000000), wk = 0.0022523 k( 43) = ( 0.3134328 0.1809605 -0.0000000), wk = 0.0022523 k( 44) = ( 0.3208955 0.1852691 -0.0000000), wk = 0.0022523 k( 45) = ( 0.3283582 0.1895777 -0.0000000), wk = 0.0022523 k( 46) = ( 0.3358209 0.1938863 -0.0000000), wk = 0.0022523 k( 47) = ( 0.3432836 0.1981949 -0.0000000), wk = 0.0022523 k( 48) = ( 0.3507463 0.2025035 -0.0000000), wk = 0.0022523 k( 49) = ( 0.3582090 0.2068120 -0.0000000), wk = 0.0022523 k( 50) = ( 0.3656716 0.2111206 -0.0000000), wk = 0.0022523 k( 51) = ( 0.3731343 0.2154292 -0.0000000), wk = 0.0022523 k( 52) = ( 0.3805970 0.2197378 -0.0000000), wk = 0.0022523 k( 53) = ( 0.3880597 0.2240464 -0.0000000), wk = 0.0022523 k( 54) = ( 0.3955224 0.2283550 -0.0000000), wk = 0.0022523 k( 55) = ( 0.4029851 0.2326635 -0.0000000), wk = 0.0022523 k( 56) = ( 0.4104478 0.2369721 -0.0000000), wk = 0.0022523 k( 57) = ( 0.4179104 0.2412807 -0.0000000), wk = 0.0022523 k( 58) = ( 0.4253731 0.2455893 -0.0000000), wk = 0.0022523 k( 59) = ( 0.4328358 0.2498979 -0.0000000), wk = 0.0022523 k( 60) = ( 0.4402985 0.2542065 -0.0000000), wk = 0.0022523 k( 61) = ( 0.4477612 0.2585150 -0.0000000), wk = 0.0022523 k( 62) = ( 0.4552239 0.2628236 -0.0000000), wk = 0.0022523 k( 63) = ( 0.4626866 0.2671322 -0.0000000), wk = 0.0022523 k( 64) = ( 0.4701493 0.2714408 -0.0000000), wk = 0.0022523 k( 65) = ( 0.4776119 0.2757494 -0.0000000), wk = 0.0022523 k( 66) = ( 0.4850746 0.2800580 -0.0000000), wk = 0.0022523 k( 67) = ( 0.4925373 0.2843665 -0.0000000), wk = 0.0022523 k( 68) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0022523 k( 69) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0022523 k( 70) = ( 0.4957265 0.2960771 -0.0000000), wk = 0.0022523 k( 71) = ( 0.4914530 0.3034790 -0.0000000), wk = 0.0022523 k( 72) = ( 0.4871795 0.3108809 -0.0000000), wk = 0.0022523 k( 73) = ( 0.4829060 0.3182828 -0.0000000), wk = 0.0022523 k( 74) = ( 0.4786325 0.3256848 -0.0000000), wk = 0.0022523 k( 75) = ( 0.4743590 0.3330867 -0.0000000), wk = 0.0022523 k( 76) = ( 0.4700855 0.3404886 -0.0000000), wk = 0.0022523 k( 77) = ( 0.4658120 0.3478906 -0.0000000), wk = 0.0022523 k( 78) = ( 0.4615385 0.3552925 -0.0000000), wk = 0.0022523 k( 79) = ( 0.4572650 0.3626944 -0.0000000), wk = 0.0022523 k( 80) = ( 0.4529915 0.3700963 -0.0000000), wk = 0.0022523 k( 81) = ( 0.4487179 0.3774983 -0.0000000), wk = 0.0022523 k( 82) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0022523 k( 83) = ( 0.4401709 0.3923021 -0.0000000), wk = 0.0022523 k( 84) = ( 0.4358974 0.3997040 -0.0000000), wk = 0.0022523 k( 85) = ( 0.4316239 0.4071060 -0.0000000), wk = 0.0022523 k( 86) = ( 0.4273504 0.4145079 -0.0000000), wk = 0.0022523 k( 87) = ( 0.4230769 0.4219098 -0.0000000), wk = 0.0022523 k( 88) = ( 0.4188034 0.4293117 -0.0000000), wk = 0.0022523 k( 89) = ( 0.4145299 0.4367137 -0.0000000), wk = 0.0022523 k( 90) = ( 0.4102564 0.4441156 -0.0000000), wk = 0.0022523 k( 91) = ( 0.4059829 0.4515175 -0.0000000), wk = 0.0022523 k( 92) = ( 0.4017094 0.4589194 -0.0000000), wk = 0.0022523 k( 93) = ( 0.3974359 0.4663214 -0.0000000), wk = 0.0022523 k( 94) = ( 0.3931624 0.4737233 -0.0000000), wk = 0.0022523 k( 95) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0022523 k( 96) = ( 0.3846154 0.4885271 -0.0000000), wk = 0.0022523 k( 97) = ( 0.3803419 0.4959291 -0.0000000), wk = 0.0022523 k( 98) = ( 0.3760684 0.5033310 -0.0000000), wk = 0.0022523 k( 99) = ( 0.3717949 0.5107329 -0.0000000), wk = 0.0022523 k( 100) = ( 0.3675214 0.5181349 -0.0000000), wk = 0.0022523 k( 101) = ( 0.3632479 0.5255368 -0.0000000), wk = 0.0022523 k( 102) = ( 0.3589744 0.5329387 -0.0000000), wk = 0.0022523 k( 103) = ( 0.3547009 0.5403406 -0.0000000), wk = 0.0022523 k( 104) = ( 0.3504274 0.5477426 -0.0000000), wk = 0.0022523 k( 105) = ( 0.3461538 0.5551445 -0.0000000), wk = 0.0022523 k( 106) = ( 0.3418803 0.5625464 -0.0000000), wk = 0.0022523 k( 107) = ( 0.3376068 0.5699483 -0.0000000), wk = 0.0022523 k( 108) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0022523 k( 109) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0022523 k( 110) = ( 0.3290043 0.5698522 -0.0000000), wk = 0.0022523 k( 111) = ( 0.3246753 0.5623542 -0.0000000), wk = 0.0022523 k( 112) = ( 0.3203463 0.5548561 -0.0000000), wk = 0.0022523 k( 113) = ( 0.3160173 0.5473581 -0.0000000), wk = 0.0022523 k( 114) = ( 0.3116883 0.5398600 -0.0000000), wk = 0.0022523 k( 115) = ( 0.3073593 0.5323619 -0.0000000), wk = 0.0022523 k( 116) = ( 0.3030303 0.5248639 -0.0000000), wk = 0.0022523 k( 117) = ( 0.2987013 0.5173658 -0.0000000), wk = 0.0022523 k( 118) = ( 0.2943723 0.5098678 -0.0000000), wk = 0.0022523 k( 119) = ( 0.2900433 0.5023697 -0.0000000), wk = 0.0022523 k( 120) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0022523 k( 121) = ( 0.2813853 0.4873736 -0.0000000), wk = 0.0022523 k( 122) = ( 0.2770563 0.4798756 -0.0000000), wk = 0.0022523 k( 123) = ( 0.2727273 0.4723775 -0.0000000), wk = 0.0022523 k( 124) = ( 0.2683983 0.4648794 -0.0000000), wk = 0.0022523 k( 125) = ( 0.2640693 0.4573814 -0.0000000), wk = 0.0022523 k( 126) = ( 0.2597403 0.4498833 -0.0000000), wk = 0.0022523 k( 127) = ( 0.2554113 0.4423853 -0.0000000), wk = 0.0022523 k( 128) = ( 0.2510823 0.4348872 -0.0000000), wk = 0.0022523 k( 129) = ( 0.2467533 0.4273892 -0.0000000), wk = 0.0022523 k( 130) = ( 0.2424242 0.4198911 -0.0000000), wk = 0.0022523 k( 131) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0022523 k( 132) = ( 0.2337662 0.4048950 -0.0000000), wk = 0.0022523 k( 133) = ( 0.2294372 0.3973969 -0.0000000), wk = 0.0022523 k( 134) = ( 0.2251082 0.3898989 -0.0000000), wk = 0.0022523 k( 135) = ( 0.2207792 0.3824008 -0.0000000), wk = 0.0022523 k( 136) = ( 0.2164502 0.3749028 -0.0000000), wk = 0.0022523 k( 137) = ( 0.2121212 0.3674047 -0.0000000), wk = 0.0022523 k( 138) = ( 0.2077922 0.3599067 -0.0000000), wk = 0.0022523 k( 139) = ( 0.2034632 0.3524086 -0.0000000), wk = 0.0022523 k( 140) = ( 0.1991342 0.3449106 -0.0000000), wk = 0.0022523 k( 141) = ( 0.1948052 0.3374125 -0.0000000), wk = 0.0022523 k( 142) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0022523 k( 143) = ( 0.1861472 0.3224164 -0.0000000), wk = 0.0022523 k( 144) = ( 0.1818182 0.3149183 -0.0000000), wk = 0.0022523 k( 145) = ( 0.1774892 0.3074203 -0.0000000), wk = 0.0022523 k( 146) = ( 0.1731602 0.2999222 -0.0000000), wk = 0.0022523 k( 147) = ( 0.1688312 0.2924242 -0.0000000), wk = 0.0022523 k( 148) = ( 0.1645022 0.2849261 -0.0000000), wk = 0.0022523 k( 149) = ( 0.1601732 0.2774281 -0.0000000), wk = 0.0022523 k( 150) = ( 0.1558442 0.2699300 -0.0000000), wk = 0.0022523 k( 151) = ( 0.1515151 0.2624319 -0.0000000), wk = 0.0022523 k( 152) = ( 0.1471861 0.2549339 -0.0000000), wk = 0.0022523 k( 153) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0022523 k( 154) = ( 0.1385281 0.2399378 -0.0000000), wk = 0.0022523 k( 155) = ( 0.1341991 0.2324397 -0.0000000), wk = 0.0022523 k( 156) = ( 0.1298701 0.2249417 -0.0000000), wk = 0.0022523 k( 157) = ( 0.1255411 0.2174436 -0.0000000), wk = 0.0022523 k( 158) = ( 0.1212121 0.2099456 -0.0000000), wk = 0.0022523 k( 159) = ( 0.1168831 0.2024475 -0.0000000), wk = 0.0022523 k( 160) = ( 0.1125541 0.1949494 -0.0000000), wk = 0.0022523 k( 161) = ( 0.1082251 0.1874514 -0.0000000), wk = 0.0022523 k( 162) = ( 0.1038961 0.1799533 -0.0000000), wk = 0.0022523 k( 163) = ( 0.0995671 0.1724553 -0.0000000), wk = 0.0022523 k( 164) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0022523 k( 165) = ( 0.0909091 0.1574592 -0.0000000), wk = 0.0022523 k( 166) = ( 0.0865801 0.1499611 -0.0000000), wk = 0.0022523 k( 167) = ( 0.0822511 0.1424630 -0.0000000), wk = 0.0022523 k( 168) = ( 0.0779221 0.1349650 -0.0000000), wk = 0.0022523 k( 169) = ( 0.0735931 0.1274669 -0.0000000), wk = 0.0022523 k( 170) = ( 0.0692641 0.1199689 -0.0000000), wk = 0.0022523 k( 171) = ( 0.0649351 0.1124708 -0.0000000), wk = 0.0022523 k( 172) = ( 0.0606061 0.1049728 -0.0000000), wk = 0.0022523 k( 173) = ( 0.0562771 0.0974747 -0.0000000), wk = 0.0022523 k( 174) = ( 0.0519481 0.0899767 -0.0000000), wk = 0.0022523 k( 175) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0022523 k( 176) = ( 0.0432900 0.0749805 -0.0000000), wk = 0.0022523 k( 177) = ( 0.0389610 0.0674825 -0.0000000), wk = 0.0022523 k( 178) = ( 0.0346320 0.0599844 -0.0000000), wk = 0.0022523 k( 179) = ( 0.0303030 0.0524864 -0.0000000), wk = 0.0022523 k( 180) = ( 0.0259740 0.0449883 -0.0000000), wk = 0.0022523 k( 181) = ( 0.0216450 0.0374903 -0.0000000), wk = 0.0022523 k( 182) = ( 0.0173160 0.0299922 -0.0000000), wk = 0.0022523 k( 183) = ( 0.0129870 0.0224942 -0.0000000), wk = 0.0022523 k( 184) = ( 0.0086580 0.0149961 -0.0000000), wk = 0.0022523 k( 185) = ( 0.0043290 0.0074980 -0.0000000), wk = 0.0022523 k( 186) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022523 k( 187) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022523 k( 188) = ( 0.0000000 0.0000000 0.0084761), wk = 0.0022523 k( 189) = ( 0.0000000 0.0000000 0.0169521), wk = 0.0022523 k( 190) = ( 0.0000000 0.0000000 0.0254282), wk = 0.0022523 k( 191) = ( 0.0000000 0.0000000 0.0339043), wk = 0.0022523 k( 192) = ( 0.0000000 0.0000000 0.0423803), wk = 0.0022523 k( 193) = ( 0.0000000 0.0000000 0.0508564), wk = 0.0022523 k( 194) = ( 0.0000000 0.0000000 0.0593324), wk = 0.0022523 k( 195) = ( 0.0000000 0.0000000 0.0678085), wk = 0.0022523 k( 196) = ( 0.0000000 0.0000000 0.0762846), wk = 0.0022523 k( 197) = ( 0.0000000 0.0000000 0.0847606), wk = 0.0022523 k( 198) = ( 0.0000000 0.0000000 0.0932367), wk = 0.0022523 k( 199) = ( 0.0000000 0.0000000 0.1017128), wk = 0.0022523 k( 200) = ( 0.0000000 0.0000000 0.1101888), wk = 0.0022523 k( 201) = ( 0.0000000 0.0000000 0.1186649), wk = 0.0022523 k( 202) = ( 0.0000000 0.0000000 0.1271410), wk = 0.0022523 k( 203) = ( 0.0000000 0.0000000 0.1356170), wk = 0.0022523 k( 204) = ( 0.0000000 0.0000000 0.1440931), wk = 0.0022523 k( 205) = ( 0.0000000 0.0000000 0.1525692), wk = 0.0022523 k( 206) = ( 0.0000000 0.0000000 0.1610452), wk = 0.0022523 k( 207) = ( 0.0000000 0.0000000 0.1695213), wk = 0.0022523 k( 208) = ( 0.0000000 0.0000000 0.1779973), wk = 0.0022523 k( 209) = ( 0.0000000 0.0000000 0.1864734), wk = 0.0022523 k( 210) = ( 0.0000000 0.0000000 0.1949495), wk = 0.0022523 k( 211) = ( 0.0000000 0.0000000 0.1949495), wk = 0.0022523 k( 212) = ( 0.0074627 0.0043086 0.1949495), wk = 0.0022523 k( 213) = ( 0.0149254 0.0086172 0.1949495), wk = 0.0022523 k( 214) = ( 0.0223881 0.0129258 0.1949495), wk = 0.0022523 k( 215) = ( 0.0298507 0.0172343 0.1949495), wk = 0.0022523 k( 216) = ( 0.0373134 0.0215429 0.1949495), wk = 0.0022523 k( 217) = ( 0.0447761 0.0258515 0.1949495), wk = 0.0022523 k( 218) = ( 0.0522388 0.0301601 0.1949495), wk = 0.0022523 k( 219) = ( 0.0597015 0.0344687 0.1949495), wk = 0.0022523 k( 220) = ( 0.0671642 0.0387773 0.1949495), wk = 0.0022523 k( 221) = ( 0.0746269 0.0430858 0.1949495), wk = 0.0022523 k( 222) = ( 0.0820895 0.0473944 0.1949495), wk = 0.0022523 k( 223) = ( 0.0895522 0.0517030 0.1949495), wk = 0.0022523 k( 224) = ( 0.0970149 0.0560116 0.1949495), wk = 0.0022523 k( 225) = ( 0.1044776 0.0603202 0.1949495), wk = 0.0022523 k( 226) = ( 0.1119403 0.0646288 0.1949495), wk = 0.0022523 k( 227) = ( 0.1194030 0.0689373 0.1949495), wk = 0.0022523 k( 228) = ( 0.1268657 0.0732459 0.1949495), wk = 0.0022523 k( 229) = ( 0.1343284 0.0775545 0.1949495), wk = 0.0022523 k( 230) = ( 0.1417910 0.0818631 0.1949495), wk = 0.0022523 k( 231) = ( 0.1492537 0.0861717 0.1949495), wk = 0.0022523 k( 232) = ( 0.1567164 0.0904803 0.1949495), wk = 0.0022523 k( 233) = ( 0.1641791 0.0947888 0.1949495), wk = 0.0022523 k( 234) = ( 0.1716418 0.0990974 0.1949495), wk = 0.0022523 k( 235) = ( 0.1791045 0.1034060 0.1949495), wk = 0.0022523 k( 236) = ( 0.1865672 0.1077146 0.1949495), wk = 0.0022523 k( 237) = ( 0.1940299 0.1120232 0.1949495), wk = 0.0022523 k( 238) = ( 0.2014925 0.1163318 0.1949495), wk = 0.0022523 k( 239) = ( 0.2089552 0.1206404 0.1949495), wk = 0.0022523 k( 240) = ( 0.2164179 0.1249489 0.1949495), wk = 0.0022523 k( 241) = ( 0.2238806 0.1292575 0.1949495), wk = 0.0022523 k( 242) = ( 0.2313433 0.1335661 0.1949495), wk = 0.0022523 k( 243) = ( 0.2388060 0.1378747 0.1949495), wk = 0.0022523 k( 244) = ( 0.2462687 0.1421833 0.1949495), wk = 0.0022523 k( 245) = ( 0.2537313 0.1464919 0.1949495), wk = 0.0022523 k( 246) = ( 0.2611940 0.1508004 0.1949495), wk = 0.0022523 k( 247) = ( 0.2686567 0.1551090 0.1949495), wk = 0.0022523 k( 248) = ( 0.2761194 0.1594176 0.1949495), wk = 0.0022523 k( 249) = ( 0.2835821 0.1637262 0.1949495), wk = 0.0022523 k( 250) = ( 0.2910448 0.1680348 0.1949495), wk = 0.0022523 k( 251) = ( 0.2985075 0.1723434 0.1949495), wk = 0.0022523 k( 252) = ( 0.3059701 0.1766519 0.1949495), wk = 0.0022523 k( 253) = ( 0.3134328 0.1809605 0.1949495), wk = 0.0022523 k( 254) = ( 0.3208955 0.1852691 0.1949495), wk = 0.0022523 k( 255) = ( 0.3283582 0.1895777 0.1949495), wk = 0.0022523 k( 256) = ( 0.3358209 0.1938863 0.1949495), wk = 0.0022523 k( 257) = ( 0.3432836 0.1981949 0.1949495), wk = 0.0022523 k( 258) = ( 0.3507463 0.2025035 0.1949495), wk = 0.0022523 k( 259) = ( 0.3582090 0.2068120 0.1949495), wk = 0.0022523 k( 260) = ( 0.3656716 0.2111206 0.1949495), wk = 0.0022523 k( 261) = ( 0.3731343 0.2154292 0.1949495), wk = 0.0022523 k( 262) = ( 0.3805970 0.2197378 0.1949495), wk = 0.0022523 k( 263) = ( 0.3880597 0.2240464 0.1949495), wk = 0.0022523 k( 264) = ( 0.3955224 0.2283550 0.1949495), wk = 0.0022523 k( 265) = ( 0.4029851 0.2326635 0.1949495), wk = 0.0022523 k( 266) = ( 0.4104478 0.2369721 0.1949495), wk = 0.0022523 k( 267) = ( 0.4179104 0.2412807 0.1949495), wk = 0.0022523 k( 268) = ( 0.4253731 0.2455893 0.1949495), wk = 0.0022523 k( 269) = ( 0.4328358 0.2498979 0.1949495), wk = 0.0022523 k( 270) = ( 0.4402985 0.2542065 0.1949495), wk = 0.0022523 k( 271) = ( 0.4477612 0.2585150 0.1949495), wk = 0.0022523 k( 272) = ( 0.4552239 0.2628236 0.1949495), wk = 0.0022523 k( 273) = ( 0.4626866 0.2671322 0.1949495), wk = 0.0022523 k( 274) = ( 0.4701493 0.2714408 0.1949495), wk = 0.0022523 k( 275) = ( 0.4776119 0.2757494 0.1949495), wk = 0.0022523 k( 276) = ( 0.4850746 0.2800580 0.1949495), wk = 0.0022523 k( 277) = ( 0.4925373 0.2843665 0.1949495), wk = 0.0022523 k( 278) = ( 0.5000000 0.2886751 0.1949495), wk = 0.0022523 k( 279) = ( 0.5000000 0.2886751 0.1949495), wk = 0.0022523 k( 280) = ( 0.4957265 0.2960771 0.1949495), wk = 0.0022523 k( 281) = ( 0.4914530 0.3034790 0.1949495), wk = 0.0022523 k( 282) = ( 0.4871795 0.3108809 0.1949495), wk = 0.0022523 k( 283) = ( 0.4829060 0.3182828 0.1949495), wk = 0.0022523 k( 284) = ( 0.4786325 0.3256848 0.1949495), wk = 0.0022523 k( 285) = ( 0.4743590 0.3330867 0.1949495), wk = 0.0022523 k( 286) = ( 0.4700855 0.3404886 0.1949495), wk = 0.0022523 k( 287) = ( 0.4658120 0.3478906 0.1949495), wk = 0.0022523 k( 288) = ( 0.4615385 0.3552925 0.1949495), wk = 0.0022523 k( 289) = ( 0.4572650 0.3626944 0.1949495), wk = 0.0022523 k( 290) = ( 0.4529915 0.3700963 0.1949495), wk = 0.0022523 k( 291) = ( 0.4487179 0.3774983 0.1949495), wk = 0.0022523 k( 292) = ( 0.4444444 0.3849002 0.1949495), wk = 0.0022523 k( 293) = ( 0.4401709 0.3923021 0.1949495), wk = 0.0022523 k( 294) = ( 0.4358974 0.3997040 0.1949495), wk = 0.0022523 k( 295) = ( 0.4316239 0.4071060 0.1949495), wk = 0.0022523 k( 296) = ( 0.4273504 0.4145079 0.1949495), wk = 0.0022523 k( 297) = ( 0.4230769 0.4219098 0.1949495), wk = 0.0022523 k( 298) = ( 0.4188034 0.4293117 0.1949495), wk = 0.0022523 k( 299) = ( 0.4145299 0.4367137 0.1949495), wk = 0.0022523 k( 300) = ( 0.4102564 0.4441156 0.1949495), wk = 0.0022523 k( 301) = ( 0.4059829 0.4515175 0.1949495), wk = 0.0022523 k( 302) = ( 0.4017094 0.4589194 0.1949495), wk = 0.0022523 k( 303) = ( 0.3974359 0.4663214 0.1949495), wk = 0.0022523 k( 304) = ( 0.3931624 0.4737233 0.1949495), wk = 0.0022523 k( 305) = ( 0.3888889 0.4811252 0.1949495), wk = 0.0022523 k( 306) = ( 0.3846154 0.4885271 0.1949495), wk = 0.0022523 k( 307) = ( 0.3803419 0.4959291 0.1949495), wk = 0.0022523 k( 308) = ( 0.3760684 0.5033310 0.1949495), wk = 0.0022523 k( 309) = ( 0.3717949 0.5107329 0.1949495), wk = 0.0022523 k( 310) = ( 0.3675214 0.5181349 0.1949495), wk = 0.0022523 k( 311) = ( 0.3632479 0.5255368 0.1949495), wk = 0.0022523 k( 312) = ( 0.3589744 0.5329387 0.1949495), wk = 0.0022523 k( 313) = ( 0.3547009 0.5403406 0.1949495), wk = 0.0022523 k( 314) = ( 0.3504274 0.5477426 0.1949495), wk = 0.0022523 k( 315) = ( 0.3461538 0.5551445 0.1949495), wk = 0.0022523 k( 316) = ( 0.3418803 0.5625464 0.1949495), wk = 0.0022523 k( 317) = ( 0.3376068 0.5699483 0.1949495), wk = 0.0022523 k( 318) = ( 0.3333333 0.5773503 0.1949495), wk = 0.0022523 k( 319) = ( 0.3333333 0.5773503 0.1949495), wk = 0.0022523 k( 320) = ( 0.3290043 0.5698522 0.1949495), wk = 0.0022523 k( 321) = ( 0.3246753 0.5623542 0.1949495), wk = 0.0022523 k( 322) = ( 0.3203463 0.5548561 0.1949495), wk = 0.0022523 k( 323) = ( 0.3160173 0.5473581 0.1949495), wk = 0.0022523 k( 324) = ( 0.3116883 0.5398600 0.1949495), wk = 0.0022523 k( 325) = ( 0.3073593 0.5323619 0.1949495), wk = 0.0022523 k( 326) = ( 0.3030303 0.5248639 0.1949495), wk = 0.0022523 k( 327) = ( 0.2987013 0.5173658 0.1949495), wk = 0.0022523 k( 328) = ( 0.2943723 0.5098678 0.1949495), wk = 0.0022523 k( 329) = ( 0.2900433 0.5023697 0.1949495), wk = 0.0022523 k( 330) = ( 0.2857143 0.4948717 0.1949495), wk = 0.0022523 k( 331) = ( 0.2813853 0.4873736 0.1949495), wk = 0.0022523 k( 332) = ( 0.2770563 0.4798756 0.1949495), wk = 0.0022523 k( 333) = ( 0.2727273 0.4723775 0.1949495), wk = 0.0022523 k( 334) = ( 0.2683983 0.4648794 0.1949495), wk = 0.0022523 k( 335) = ( 0.2640693 0.4573814 0.1949495), wk = 0.0022523 k( 336) = ( 0.2597403 0.4498833 0.1949495), wk = 0.0022523 k( 337) = ( 0.2554113 0.4423853 0.1949495), wk = 0.0022523 k( 338) = ( 0.2510823 0.4348872 0.1949495), wk = 0.0022523 k( 339) = ( 0.2467533 0.4273892 0.1949495), wk = 0.0022523 k( 340) = ( 0.2424242 0.4198911 0.1949495), wk = 0.0022523 k( 341) = ( 0.2380952 0.4123931 0.1949495), wk = 0.0022523 k( 342) = ( 0.2337662 0.4048950 0.1949495), wk = 0.0022523 k( 343) = ( 0.2294372 0.3973969 0.1949495), wk = 0.0022523 k( 344) = ( 0.2251082 0.3898989 0.1949495), wk = 0.0022523 k( 345) = ( 0.2207792 0.3824008 0.1949495), wk = 0.0022523 k( 346) = ( 0.2164502 0.3749028 0.1949495), wk = 0.0022523 k( 347) = ( 0.2121212 0.3674047 0.1949495), wk = 0.0022523 k( 348) = ( 0.2077922 0.3599067 0.1949495), wk = 0.0022523 k( 349) = ( 0.2034632 0.3524086 0.1949495), wk = 0.0022523 k( 350) = ( 0.1991342 0.3449106 0.1949495), wk = 0.0022523 k( 351) = ( 0.1948052 0.3374125 0.1949495), wk = 0.0022523 k( 352) = ( 0.1904762 0.3299144 0.1949495), wk = 0.0022523 k( 353) = ( 0.1861472 0.3224164 0.1949495), wk = 0.0022523 k( 354) = ( 0.1818182 0.3149183 0.1949495), wk = 0.0022523 k( 355) = ( 0.1774892 0.3074203 0.1949495), wk = 0.0022523 k( 356) = ( 0.1731602 0.2999222 0.1949495), wk = 0.0022523 k( 357) = ( 0.1688312 0.2924242 0.1949495), wk = 0.0022523 k( 358) = ( 0.1645022 0.2849261 0.1949495), wk = 0.0022523 k( 359) = ( 0.1601732 0.2774281 0.1949495), wk = 0.0022523 k( 360) = ( 0.1558442 0.2699300 0.1949495), wk = 0.0022523 k( 361) = ( 0.1515151 0.2624319 0.1949495), wk = 0.0022523 k( 362) = ( 0.1471861 0.2549339 0.1949495), wk = 0.0022523 k( 363) = ( 0.1428571 0.2474358 0.1949495), wk = 0.0022523 k( 364) = ( 0.1385281 0.2399378 0.1949495), wk = 0.0022523 k( 365) = ( 0.1341991 0.2324397 0.1949495), wk = 0.0022523 k( 366) = ( 0.1298701 0.2249417 0.1949495), wk = 0.0022523 k( 367) = ( 0.1255411 0.2174436 0.1949495), wk = 0.0022523 k( 368) = ( 0.1212121 0.2099456 0.1949495), wk = 0.0022523 k( 369) = ( 0.1168831 0.2024475 0.1949495), wk = 0.0022523 k( 370) = ( 0.1125541 0.1949494 0.1949495), wk = 0.0022523 k( 371) = ( 0.1082251 0.1874514 0.1949495), wk = 0.0022523 k( 372) = ( 0.1038961 0.1799533 0.1949495), wk = 0.0022523 k( 373) = ( 0.0995671 0.1724553 0.1949495), wk = 0.0022523 k( 374) = ( 0.0952381 0.1649572 0.1949495), wk = 0.0022523 k( 375) = ( 0.0909091 0.1574592 0.1949495), wk = 0.0022523 k( 376) = ( 0.0865801 0.1499611 0.1949495), wk = 0.0022523 k( 377) = ( 0.0822511 0.1424630 0.1949495), wk = 0.0022523 k( 378) = ( 0.0779221 0.1349650 0.1949495), wk = 0.0022523 k( 379) = ( 0.0735931 0.1274669 0.1949495), wk = 0.0022523 k( 380) = ( 0.0692641 0.1199689 0.1949495), wk = 0.0022523 k( 381) = ( 0.0649351 0.1124708 0.1949495), wk = 0.0022523 k( 382) = ( 0.0606061 0.1049728 0.1949495), wk = 0.0022523 k( 383) = ( 0.0562771 0.0974747 0.1949495), wk = 0.0022523 k( 384) = ( 0.0519481 0.0899767 0.1949495), wk = 0.0022523 k( 385) = ( 0.0476191 0.0824786 0.1949495), wk = 0.0022523 k( 386) = ( 0.0432900 0.0749805 0.1949495), wk = 0.0022523 k( 387) = ( 0.0389610 0.0674825 0.1949495), wk = 0.0022523 k( 388) = ( 0.0346320 0.0599844 0.1949495), wk = 0.0022523 k( 389) = ( 0.0303030 0.0524864 0.1949495), wk = 0.0022523 k( 390) = ( 0.0259740 0.0449883 0.1949495), wk = 0.0022523 k( 391) = ( 0.0216450 0.0374903 0.1949495), wk = 0.0022523 k( 392) = ( 0.0173160 0.0299922 0.1949495), wk = 0.0022523 k( 393) = ( 0.0129870 0.0224942 0.1949495), wk = 0.0022523 k( 394) = ( 0.0086580 0.0149961 0.1949495), wk = 0.0022523 k( 395) = ( 0.0043290 0.0074980 0.1949495), wk = 0.0022523 k( 396) = ( 0.0000000 0.0000000 0.1949495), wk = 0.0022523 k( 397) = ( 0.5000000 0.2886751 0.1949495), wk = 0.0022523 k( 398) = ( 0.5000000 0.2886751 0.1864734), wk = 0.0022523 k( 399) = ( 0.5000000 0.2886751 0.1779973), wk = 0.0022523 k( 400) = ( 0.5000000 0.2886751 0.1695213), wk = 0.0022523 k( 401) = ( 0.5000000 0.2886751 0.1610452), wk = 0.0022523 k( 402) = ( 0.5000000 0.2886751 0.1525692), wk = 0.0022523 k( 403) = ( 0.5000000 0.2886751 0.1440931), wk = 0.0022523 k( 404) = ( 0.5000000 0.2886751 0.1356170), wk = 0.0022523 k( 405) = ( 0.5000000 0.2886751 0.1271410), wk = 0.0022523 k( 406) = ( 0.5000000 0.2886751 0.1186649), wk = 0.0022523 k( 407) = ( 0.5000000 0.2886751 0.1101888), wk = 0.0022523 k( 408) = ( 0.5000000 0.2886751 0.1017128), wk = 0.0022523 k( 409) = ( 0.5000000 0.2886751 0.0932367), wk = 0.0022523 k( 410) = ( 0.5000000 0.2886751 0.0847606), wk = 0.0022523 k( 411) = ( 0.5000000 0.2886751 0.0762846), wk = 0.0022523 k( 412) = ( 0.5000000 0.2886751 0.0678085), wk = 0.0022523 k( 413) = ( 0.5000000 0.2886751 0.0593324), wk = 0.0022523 k( 414) = ( 0.5000000 0.2886751 0.0508564), wk = 0.0022523 k( 415) = ( 0.5000000 0.2886751 0.0423803), wk = 0.0022523 k( 416) = ( 0.5000000 0.2886751 0.0339043), wk = 0.0022523 k( 417) = ( 0.5000000 0.2886751 0.0254282), wk = 0.0022523 k( 418) = ( 0.5000000 0.2886751 0.0169521), wk = 0.0022523 k( 419) = ( 0.5000000 0.2886751 0.0084761), wk = 0.0022523 k( 420) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0022523 k( 421) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0022523 k( 422) = ( 0.3333333 0.5773503 0.0084761), wk = 0.0022523 k( 423) = ( 0.3333333 0.5773503 0.0169521), wk = 0.0022523 k( 424) = ( 0.3333333 0.5773503 0.0254282), wk = 0.0022523 k( 425) = ( 0.3333333 0.5773503 0.0339043), wk = 0.0022523 k( 426) = ( 0.3333333 0.5773503 0.0423803), wk = 0.0022523 k( 427) = ( 0.3333333 0.5773503 0.0508564), wk = 0.0022523 k( 428) = ( 0.3333333 0.5773503 0.0593324), wk = 0.0022523 k( 429) = ( 0.3333333 0.5773503 0.0678085), wk = 0.0022523 k( 430) = ( 0.3333333 0.5773503 0.0762846), wk = 0.0022523 k( 431) = ( 0.3333333 0.5773503 0.0847606), wk = 0.0022523 k( 432) = ( 0.3333333 0.5773503 0.0932367), wk = 0.0022523 k( 433) = ( 0.3333333 0.5773503 0.1017128), wk = 0.0022523 k( 434) = ( 0.3333333 0.5773503 0.1101888), wk = 0.0022523 k( 435) = ( 0.3333333 0.5773503 0.1186649), wk = 0.0022523 k( 436) = ( 0.3333333 0.5773503 0.1271410), wk = 0.0022523 k( 437) = ( 0.3333333 0.5773503 0.1356170), wk = 0.0022523 k( 438) = ( 0.3333333 0.5773503 0.1440931), wk = 0.0022523 k( 439) = ( 0.3333333 0.5773503 0.1525692), wk = 0.0022523 k( 440) = ( 0.3333333 0.5773503 0.1610452), wk = 0.0022523 k( 441) = ( 0.3333333 0.5773503 0.1695213), wk = 0.0022523 k( 442) = ( 0.3333333 0.5773503 0.1779973), wk = 0.0022523 k( 443) = ( 0.3333333 0.5773503 0.1864734), wk = 0.0022523 k( 444) = ( 0.3333333 0.5773503 0.1949495), wk = 0.0022523 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022523 k( 2) = ( 0.0074627 0.0000000 -0.0000000), wk = 0.0022523 k( 3) = ( 0.0149254 0.0000000 0.0000000), wk = 0.0022523 k( 4) = ( 0.0223881 0.0000000 -0.0000000), wk = 0.0022523 k( 5) = ( 0.0298507 0.0000000 -0.0000000), wk = 0.0022523 k( 6) = ( 0.0373134 0.0000000 -0.0000000), wk = 0.0022523 k( 7) = ( 0.0447761 0.0000000 -0.0000000), wk = 0.0022523 k( 8) = ( 0.0522388 0.0000000 -0.0000000), wk = 0.0022523 k( 9) = ( 0.0597015 0.0000000 0.0000000), wk = 0.0022523 k( 10) = ( 0.0671642 0.0000000 -0.0000000), wk = 0.0022523 k( 11) = ( 0.0746269 0.0000000 -0.0000000), wk = 0.0022523 k( 12) = ( 0.0820895 -0.0000000 -0.0000000), wk = 0.0022523 k( 13) = ( 0.0895522 0.0000000 -0.0000000), wk = 0.0022523 k( 14) = ( 0.0970149 -0.0000000 -0.0000000), wk = 0.0022523 k( 15) = ( 0.1044776 0.0000000 -0.0000000), wk = 0.0022523 k( 16) = ( 0.1119403 0.0000000 -0.0000000), wk = 0.0022523 k( 17) = ( 0.1194030 0.0000000 -0.0000000), wk = 0.0022523 k( 18) = ( 0.1268657 0.0000000 0.0000000), wk = 0.0022523 k( 19) = ( 0.1343284 0.0000000 -0.0000000), wk = 0.0022523 k( 20) = ( 0.1417910 0.0000000 0.0000000), wk = 0.0022523 k( 21) = ( 0.1492537 0.0000000 0.0000000), wk = 0.0022523 k( 22) = ( 0.1567164 0.0000000 0.0000000), wk = 0.0022523 k( 23) = ( 0.1641791 -0.0000000 -0.0000000), wk = 0.0022523 k( 24) = ( 0.1716418 0.0000000 -0.0000000), wk = 0.0022523 k( 25) = ( 0.1791045 0.0000000 -0.0000000), wk = 0.0022523 k( 26) = ( 0.1865672 0.0000000 -0.0000000), wk = 0.0022523 k( 27) = ( 0.1940299 -0.0000000 -0.0000000), wk = 0.0022523 k( 28) = ( 0.2014925 -0.0000000 -0.0000000), wk = 0.0022523 k( 29) = ( 0.2089552 0.0000000 -0.0000000), wk = 0.0022523 k( 30) = ( 0.2164179 0.0000000 -0.0000000), wk = 0.0022523 k( 31) = ( 0.2238806 0.0000000 -0.0000000), wk = 0.0022523 k( 32) = ( 0.2313433 0.0000000 0.0000000), wk = 0.0022523 k( 33) = ( 0.2388060 -0.0000000 -0.0000000), wk = 0.0022523 k( 34) = ( 0.2462687 -0.0000000 -0.0000000), wk = 0.0022523 k( 35) = ( 0.2537313 0.0000000 0.0000000), wk = 0.0022523 k( 36) = ( 0.2611940 0.0000000 0.0000000), wk = 0.0022523 k( 37) = ( 0.2686567 0.0000000 -0.0000000), wk = 0.0022523 k( 38) = ( 0.2761194 0.0000000 0.0000000), wk = 0.0022523 k( 39) = ( 0.2835821 0.0000000 -0.0000000), wk = 0.0022523 k( 40) = ( 0.2910448 0.0000000 -0.0000000), wk = 0.0022523 k( 41) = ( 0.2985075 0.0000000 0.0000000), wk = 0.0022523 k( 42) = ( 0.3059701 -0.0000000 -0.0000000), wk = 0.0022523 k( 43) = ( 0.3134328 0.0000000 0.0000000), wk = 0.0022523 k( 44) = ( 0.3208955 -0.0000000 0.0000000), wk = 0.0022523 k( 45) = ( 0.3283582 -0.0000000 -0.0000000), wk = 0.0022523 k( 46) = ( 0.3358209 0.0000000 -0.0000000), wk = 0.0022523 k( 47) = ( 0.3432836 0.0000000 -0.0000000), wk = 0.0022523 k( 48) = ( 0.3507463 0.0000000 0.0000000), wk = 0.0022523 k( 49) = ( 0.3582090 0.0000000 -0.0000000), wk = 0.0022523 k( 50) = ( 0.3656716 0.0000000 0.0000000), wk = 0.0022523 k( 51) = ( 0.3731343 0.0000000 0.0000000), wk = 0.0022523 k( 52) = ( 0.3805970 0.0000000 -0.0000000), wk = 0.0022523 k( 53) = ( 0.3880597 -0.0000000 -0.0000000), wk = 0.0022523 k( 54) = ( 0.3955224 0.0000000 -0.0000000), wk = 0.0022523 k( 55) = ( 0.4029851 -0.0000000 0.0000000), wk = 0.0022523 k( 56) = ( 0.4104478 -0.0000000 -0.0000000), wk = 0.0022523 k( 57) = ( 0.4179104 0.0000000 0.0000000), wk = 0.0022523 k( 58) = ( 0.4253731 0.0000000 -0.0000000), wk = 0.0022523 k( 59) = ( 0.4328358 0.0000000 -0.0000000), wk = 0.0022523 k( 60) = ( 0.4402985 0.0000000 -0.0000000), wk = 0.0022523 k( 61) = ( 0.4477612 0.0000000 -0.0000000), wk = 0.0022523 k( 62) = ( 0.4552239 0.0000000 -0.0000000), wk = 0.0022523 k( 63) = ( 0.4626866 -0.0000000 -0.0000000), wk = 0.0022523 k( 64) = ( 0.4701493 -0.0000000 0.0000000), wk = 0.0022523 k( 65) = ( 0.4776119 -0.0000000 -0.0000000), wk = 0.0022523 k( 66) = ( 0.4850746 0.0000000 -0.0000000), wk = 0.0022523 k( 67) = ( 0.4925373 0.0000000 -0.0000000), wk = 0.0022523 k( 68) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0022523 k( 69) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0022523 k( 70) = ( 0.4957265 0.0085470 0.0000000), wk = 0.0022523 k( 71) = ( 0.4914530 0.0170940 -0.0000000), wk = 0.0022523 k( 72) = ( 0.4871795 0.0256410 -0.0000000), wk = 0.0022523 k( 73) = ( 0.4829060 0.0341880 0.0000000), wk = 0.0022523 k( 74) = ( 0.4786325 0.0427350 -0.0000000), wk = 0.0022523 k( 75) = ( 0.4743590 0.0512821 0.0000000), wk = 0.0022523 k( 76) = ( 0.4700855 0.0598291 0.0000000), wk = 0.0022523 k( 77) = ( 0.4658120 0.0683761 0.0000000), wk = 0.0022523 k( 78) = ( 0.4615385 0.0769231 -0.0000000), wk = 0.0022523 k( 79) = ( 0.4572650 0.0854701 0.0000000), wk = 0.0022523 k( 80) = ( 0.4529915 0.0940171 0.0000000), wk = 0.0022523 k( 81) = ( 0.4487179 0.1025641 0.0000000), wk = 0.0022523 k( 82) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0022523 k( 83) = ( 0.4401709 0.1196581 -0.0000000), wk = 0.0022523 k( 84) = ( 0.4358974 0.1282051 -0.0000000), wk = 0.0022523 k( 85) = ( 0.4316239 0.1367521 0.0000000), wk = 0.0022523 k( 86) = ( 0.4273504 0.1452991 0.0000000), wk = 0.0022523 k( 87) = ( 0.4230769 0.1538461 -0.0000000), wk = 0.0022523 k( 88) = ( 0.4188034 0.1623932 0.0000000), wk = 0.0022523 k( 89) = ( 0.4145299 0.1709402 -0.0000000), wk = 0.0022523 k( 90) = ( 0.4102564 0.1794872 0.0000000), wk = 0.0022523 k( 91) = ( 0.4059829 0.1880342 0.0000000), wk = 0.0022523 k( 92) = ( 0.4017094 0.1965812 -0.0000000), wk = 0.0022523 k( 93) = ( 0.3974359 0.2051282 0.0000000), wk = 0.0022523 k( 94) = ( 0.3931624 0.2136752 0.0000000), wk = 0.0022523 k( 95) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0022523 k( 96) = ( 0.3846154 0.2307692 -0.0000000), wk = 0.0022523 k( 97) = ( 0.3803419 0.2393162 -0.0000000), wk = 0.0022523 k( 98) = ( 0.3760684 0.2478633 0.0000000), wk = 0.0022523 k( 99) = ( 0.3717949 0.2564103 0.0000000), wk = 0.0022523 k( 100) = ( 0.3675214 0.2649573 -0.0000000), wk = 0.0022523 k( 101) = ( 0.3632479 0.2735043 0.0000000), wk = 0.0022523 k( 102) = ( 0.3589744 0.2820513 -0.0000000), wk = 0.0022523 k( 103) = ( 0.3547009 0.2905983 -0.0000000), wk = 0.0022523 k( 104) = ( 0.3504274 0.2991453 -0.0000000), wk = 0.0022523 k( 105) = ( 0.3461538 0.3076923 0.0000000), wk = 0.0022523 k( 106) = ( 0.3418803 0.3162393 0.0000000), wk = 0.0022523 k( 107) = ( 0.3376068 0.3247863 0.0000000), wk = 0.0022523 k( 108) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0022523 k( 109) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0022523 k( 110) = ( 0.3290043 0.3290043 -0.0000000), wk = 0.0022523 k( 111) = ( 0.3246753 0.3246753 -0.0000000), wk = 0.0022523 k( 112) = ( 0.3203463 0.3203463 0.0000000), wk = 0.0022523 k( 113) = ( 0.3160173 0.3160173 0.0000000), wk = 0.0022523 k( 114) = ( 0.3116883 0.3116883 0.0000000), wk = 0.0022523 k( 115) = ( 0.3073593 0.3073593 -0.0000000), wk = 0.0022523 k( 116) = ( 0.3030303 0.3030303 -0.0000000), wk = 0.0022523 k( 117) = ( 0.2987013 0.2987013 -0.0000000), wk = 0.0022523 k( 118) = ( 0.2943723 0.2943723 0.0000000), wk = 0.0022523 k( 119) = ( 0.2900433 0.2900433 0.0000000), wk = 0.0022523 k( 120) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0022523 k( 121) = ( 0.2813853 0.2813853 -0.0000000), wk = 0.0022523 k( 122) = ( 0.2770563 0.2770563 0.0000000), wk = 0.0022523 k( 123) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0022523 k( 124) = ( 0.2683983 0.2683983 0.0000000), wk = 0.0022523 k( 125) = ( 0.2640693 0.2640693 0.0000000), wk = 0.0022523 k( 126) = ( 0.2597403 0.2597403 0.0000000), wk = 0.0022523 k( 127) = ( 0.2554113 0.2554113 0.0000000), wk = 0.0022523 k( 128) = ( 0.2510823 0.2510823 0.0000000), wk = 0.0022523 k( 129) = ( 0.2467533 0.2467533 0.0000000), wk = 0.0022523 k( 130) = ( 0.2424242 0.2424242 0.0000000), wk = 0.0022523 k( 131) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0022523 k( 132) = ( 0.2337662 0.2337662 0.0000000), wk = 0.0022523 k( 133) = ( 0.2294372 0.2294372 0.0000000), wk = 0.0022523 k( 134) = ( 0.2251082 0.2251082 -0.0000000), wk = 0.0022523 k( 135) = ( 0.2207792 0.2207792 -0.0000000), wk = 0.0022523 k( 136) = ( 0.2164502 0.2164502 0.0000000), wk = 0.0022523 k( 137) = ( 0.2121212 0.2121212 -0.0000000), wk = 0.0022523 k( 138) = ( 0.2077922 0.2077922 0.0000000), wk = 0.0022523 k( 139) = ( 0.2034632 0.2034632 0.0000000), wk = 0.0022523 k( 140) = ( 0.1991342 0.1991342 0.0000000), wk = 0.0022523 k( 141) = ( 0.1948052 0.1948052 0.0000000), wk = 0.0022523 k( 142) = ( 0.1904762 0.1904762 0.0000000), wk = 0.0022523 k( 143) = ( 0.1861472 0.1861472 -0.0000000), wk = 0.0022523 k( 144) = ( 0.1818182 0.1818182 0.0000000), wk = 0.0022523 k( 145) = ( 0.1774892 0.1774892 0.0000000), wk = 0.0022523 k( 146) = ( 0.1731602 0.1731602 0.0000000), wk = 0.0022523 k( 147) = ( 0.1688312 0.1688312 0.0000000), wk = 0.0022523 k( 148) = ( 0.1645022 0.1645022 -0.0000000), wk = 0.0022523 k( 149) = ( 0.1601732 0.1601732 0.0000000), wk = 0.0022523 k( 150) = ( 0.1558442 0.1558442 -0.0000000), wk = 0.0022523 k( 151) = ( 0.1515151 0.1515151 -0.0000000), wk = 0.0022523 k( 152) = ( 0.1471861 0.1471861 -0.0000000), wk = 0.0022523 k( 153) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0022523 k( 154) = ( 0.1385281 0.1385281 0.0000000), wk = 0.0022523 k( 155) = ( 0.1341991 0.1341991 0.0000000), wk = 0.0022523 k( 156) = ( 0.1298701 0.1298701 0.0000000), wk = 0.0022523 k( 157) = ( 0.1255411 0.1255411 0.0000000), wk = 0.0022523 k( 158) = ( 0.1212121 0.1212121 0.0000000), wk = 0.0022523 k( 159) = ( 0.1168831 0.1168831 0.0000000), wk = 0.0022523 k( 160) = ( 0.1125541 0.1125541 0.0000000), wk = 0.0022523 k( 161) = ( 0.1082251 0.1082251 0.0000000), wk = 0.0022523 k( 162) = ( 0.1038961 0.1038961 0.0000000), wk = 0.0022523 k( 163) = ( 0.0995671 0.0995671 0.0000000), wk = 0.0022523 k( 164) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0022523 k( 165) = ( 0.0909091 0.0909091 0.0000000), wk = 0.0022523 k( 166) = ( 0.0865801 0.0865801 -0.0000000), wk = 0.0022523 k( 167) = ( 0.0822511 0.0822511 -0.0000000), wk = 0.0022523 k( 168) = ( 0.0779221 0.0779221 -0.0000000), wk = 0.0022523 k( 169) = ( 0.0735931 0.0735931 0.0000000), wk = 0.0022523 k( 170) = ( 0.0692641 0.0692641 0.0000000), wk = 0.0022523 k( 171) = ( 0.0649351 0.0649351 0.0000000), wk = 0.0022523 k( 172) = ( 0.0606061 0.0606061 0.0000000), wk = 0.0022523 k( 173) = ( 0.0562771 0.0562771 -0.0000000), wk = 0.0022523 k( 174) = ( 0.0519481 0.0519481 0.0000000), wk = 0.0022523 k( 175) = ( 0.0476191 0.0476191 -0.0000000), wk = 0.0022523 k( 176) = ( 0.0432900 0.0432900 0.0000000), wk = 0.0022523 k( 177) = ( 0.0389610 0.0389610 -0.0000000), wk = 0.0022523 k( 178) = ( 0.0346320 0.0346320 0.0000000), wk = 0.0022523 k( 179) = ( 0.0303030 0.0303030 0.0000000), wk = 0.0022523 k( 180) = ( 0.0259740 0.0259740 0.0000000), wk = 0.0022523 k( 181) = ( 0.0216450 0.0216450 0.0000000), wk = 0.0022523 k( 182) = ( 0.0173160 0.0173160 0.0000000), wk = 0.0022523 k( 183) = ( 0.0129870 0.0129870 0.0000000), wk = 0.0022523 k( 184) = ( 0.0086580 0.0086580 0.0000000), wk = 0.0022523 k( 185) = ( 0.0043290 0.0043290 -0.0000000), wk = 0.0022523 k( 186) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022523 k( 187) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022523 k( 188) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0022523 k( 189) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0022523 k( 190) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0022523 k( 191) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0022523 k( 192) = ( 0.0000000 0.0000000 0.1086957), wk = 0.0022523 k( 193) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0022523 k( 194) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0022523 k( 195) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0022523 k( 196) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0022523 k( 197) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0022523 k( 198) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0022523 k( 199) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0022523 k( 200) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0022523 k( 201) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0022523 k( 202) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0022523 k( 203) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0022523 k( 204) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0022523 k( 205) = ( 0.0000000 0.0000000 0.3913044), wk = 0.0022523 k( 206) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0022523 k( 207) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0022523 k( 208) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0022523 k( 209) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0022523 k( 210) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022523 k( 211) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022523 k( 212) = ( 0.0074627 0.0000000 0.5000000), wk = 0.0022523 k( 213) = ( 0.0149254 0.0000000 0.5000000), wk = 0.0022523 k( 214) = ( 0.0223881 0.0000000 0.5000000), wk = 0.0022523 k( 215) = ( 0.0298507 0.0000000 0.5000000), wk = 0.0022523 k( 216) = ( 0.0373134 0.0000000 0.5000000), wk = 0.0022523 k( 217) = ( 0.0447761 0.0000000 0.5000000), wk = 0.0022523 k( 218) = ( 0.0522388 0.0000000 0.5000000), wk = 0.0022523 k( 219) = ( 0.0597015 0.0000000 0.5000000), wk = 0.0022523 k( 220) = ( 0.0671642 0.0000000 0.5000000), wk = 0.0022523 k( 221) = ( 0.0746269 0.0000000 0.5000000), wk = 0.0022523 k( 222) = ( 0.0820895 -0.0000000 0.5000000), wk = 0.0022523 k( 223) = ( 0.0895522 0.0000000 0.5000000), wk = 0.0022523 k( 224) = ( 0.0970149 -0.0000000 0.5000000), wk = 0.0022523 k( 225) = ( 0.1044776 0.0000000 0.5000000), wk = 0.0022523 k( 226) = ( 0.1119403 0.0000000 0.5000000), wk = 0.0022523 k( 227) = ( 0.1194030 0.0000000 0.5000000), wk = 0.0022523 k( 228) = ( 0.1268657 0.0000000 0.5000000), wk = 0.0022523 k( 229) = ( 0.1343284 0.0000000 0.5000000), wk = 0.0022523 k( 230) = ( 0.1417910 0.0000000 0.5000000), wk = 0.0022523 k( 231) = ( 0.1492537 0.0000000 0.5000000), wk = 0.0022523 k( 232) = ( 0.1567164 0.0000000 0.5000000), wk = 0.0022523 k( 233) = ( 0.1641791 -0.0000000 0.5000000), wk = 0.0022523 k( 234) = ( 0.1716418 0.0000000 0.5000000), wk = 0.0022523 k( 235) = ( 0.1791045 0.0000000 0.5000000), wk = 0.0022523 k( 236) = ( 0.1865672 0.0000000 0.5000000), wk = 0.0022523 k( 237) = ( 0.1940299 -0.0000000 0.5000000), wk = 0.0022523 k( 238) = ( 0.2014925 -0.0000000 0.5000000), wk = 0.0022523 k( 239) = ( 0.2089552 0.0000000 0.5000000), wk = 0.0022523 k( 240) = ( 0.2164179 0.0000000 0.5000000), wk = 0.0022523 k( 241) = ( 0.2238806 0.0000000 0.5000000), wk = 0.0022523 k( 242) = ( 0.2313433 0.0000000 0.5000000), wk = 0.0022523 k( 243) = ( 0.2388060 -0.0000000 0.5000000), wk = 0.0022523 k( 244) = ( 0.2462687 -0.0000000 0.5000000), wk = 0.0022523 k( 245) = ( 0.2537313 0.0000000 0.5000000), wk = 0.0022523 k( 246) = ( 0.2611940 0.0000000 0.5000000), wk = 0.0022523 k( 247) = ( 0.2686567 0.0000000 0.5000000), wk = 0.0022523 k( 248) = ( 0.2761194 0.0000000 0.5000000), wk = 0.0022523 k( 249) = ( 0.2835821 0.0000000 0.5000000), wk = 0.0022523 k( 250) = ( 0.2910448 0.0000000 0.5000000), wk = 0.0022523 k( 251) = ( 0.2985075 0.0000000 0.5000000), wk = 0.0022523 k( 252) = ( 0.3059701 -0.0000000 0.5000000), wk = 0.0022523 k( 253) = ( 0.3134328 0.0000000 0.5000000), wk = 0.0022523 k( 254) = ( 0.3208955 -0.0000000 0.5000000), wk = 0.0022523 k( 255) = ( 0.3283582 -0.0000000 0.5000000), wk = 0.0022523 k( 256) = ( 0.3358209 0.0000000 0.5000000), wk = 0.0022523 k( 257) = ( 0.3432836 0.0000000 0.5000000), wk = 0.0022523 k( 258) = ( 0.3507463 0.0000000 0.5000000), wk = 0.0022523 k( 259) = ( 0.3582090 0.0000000 0.5000000), wk = 0.0022523 k( 260) = ( 0.3656716 0.0000000 0.5000000), wk = 0.0022523 k( 261) = ( 0.3731343 0.0000000 0.5000000), wk = 0.0022523 k( 262) = ( 0.3805970 0.0000000 0.5000000), wk = 0.0022523 k( 263) = ( 0.3880597 -0.0000000 0.5000000), wk = 0.0022523 k( 264) = ( 0.3955224 0.0000000 0.5000000), wk = 0.0022523 k( 265) = ( 0.4029851 -0.0000000 0.5000000), wk = 0.0022523 k( 266) = ( 0.4104478 -0.0000000 0.5000000), wk = 0.0022523 k( 267) = ( 0.4179104 0.0000000 0.5000000), wk = 0.0022523 k( 268) = ( 0.4253731 0.0000000 0.5000000), wk = 0.0022523 k( 269) = ( 0.4328358 0.0000000 0.5000000), wk = 0.0022523 k( 270) = ( 0.4402985 0.0000000 0.5000000), wk = 0.0022523 k( 271) = ( 0.4477612 0.0000000 0.5000000), wk = 0.0022523 k( 272) = ( 0.4552239 0.0000000 0.5000000), wk = 0.0022523 k( 273) = ( 0.4626866 -0.0000000 0.5000000), wk = 0.0022523 k( 274) = ( 0.4701493 -0.0000000 0.5000000), wk = 0.0022523 k( 275) = ( 0.4776119 -0.0000000 0.5000000), wk = 0.0022523 k( 276) = ( 0.4850746 0.0000000 0.5000000), wk = 0.0022523 k( 277) = ( 0.4925373 0.0000000 0.5000000), wk = 0.0022523 k( 278) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022523 k( 279) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022523 k( 280) = ( 0.4957265 0.0085470 0.5000000), wk = 0.0022523 k( 281) = ( 0.4914530 0.0170940 0.5000000), wk = 0.0022523 k( 282) = ( 0.4871795 0.0256410 0.5000000), wk = 0.0022523 k( 283) = ( 0.4829060 0.0341880 0.5000000), wk = 0.0022523 k( 284) = ( 0.4786325 0.0427350 0.5000000), wk = 0.0022523 k( 285) = ( 0.4743590 0.0512821 0.5000000), wk = 0.0022523 k( 286) = ( 0.4700855 0.0598291 0.5000000), wk = 0.0022523 k( 287) = ( 0.4658120 0.0683761 0.5000000), wk = 0.0022523 k( 288) = ( 0.4615385 0.0769231 0.5000000), wk = 0.0022523 k( 289) = ( 0.4572650 0.0854701 0.5000000), wk = 0.0022523 k( 290) = ( 0.4529915 0.0940171 0.5000000), wk = 0.0022523 k( 291) = ( 0.4487179 0.1025641 0.5000000), wk = 0.0022523 k( 292) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0022523 k( 293) = ( 0.4401709 0.1196581 0.5000000), wk = 0.0022523 k( 294) = ( 0.4358974 0.1282051 0.5000000), wk = 0.0022523 k( 295) = ( 0.4316239 0.1367521 0.5000000), wk = 0.0022523 k( 296) = ( 0.4273504 0.1452991 0.5000000), wk = 0.0022523 k( 297) = ( 0.4230769 0.1538461 0.5000000), wk = 0.0022523 k( 298) = ( 0.4188034 0.1623932 0.5000000), wk = 0.0022523 k( 299) = ( 0.4145299 0.1709402 0.5000000), wk = 0.0022523 k( 300) = ( 0.4102564 0.1794872 0.5000000), wk = 0.0022523 k( 301) = ( 0.4059829 0.1880342 0.5000000), wk = 0.0022523 k( 302) = ( 0.4017094 0.1965812 0.5000000), wk = 0.0022523 k( 303) = ( 0.3974359 0.2051282 0.5000000), wk = 0.0022523 k( 304) = ( 0.3931624 0.2136752 0.5000000), wk = 0.0022523 k( 305) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0022523 k( 306) = ( 0.3846154 0.2307692 0.5000000), wk = 0.0022523 k( 307) = ( 0.3803419 0.2393162 0.5000000), wk = 0.0022523 k( 308) = ( 0.3760684 0.2478633 0.5000000), wk = 0.0022523 k( 309) = ( 0.3717949 0.2564103 0.5000000), wk = 0.0022523 k( 310) = ( 0.3675214 0.2649573 0.5000000), wk = 0.0022523 k( 311) = ( 0.3632479 0.2735043 0.5000000), wk = 0.0022523 k( 312) = ( 0.3589744 0.2820513 0.5000000), wk = 0.0022523 k( 313) = ( 0.3547009 0.2905983 0.5000000), wk = 0.0022523 k( 314) = ( 0.3504274 0.2991453 0.5000000), wk = 0.0022523 k( 315) = ( 0.3461538 0.3076923 0.5000000), wk = 0.0022523 k( 316) = ( 0.3418803 0.3162393 0.5000000), wk = 0.0022523 k( 317) = ( 0.3376068 0.3247863 0.5000000), wk = 0.0022523 k( 318) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0022523 k( 319) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0022523 k( 320) = ( 0.3290043 0.3290043 0.5000000), wk = 0.0022523 k( 321) = ( 0.3246753 0.3246753 0.5000000), wk = 0.0022523 k( 322) = ( 0.3203463 0.3203463 0.5000000), wk = 0.0022523 k( 323) = ( 0.3160173 0.3160173 0.5000000), wk = 0.0022523 k( 324) = ( 0.3116883 0.3116883 0.5000000), wk = 0.0022523 k( 325) = ( 0.3073593 0.3073593 0.5000000), wk = 0.0022523 k( 326) = ( 0.3030303 0.3030303 0.5000000), wk = 0.0022523 k( 327) = ( 0.2987013 0.2987013 0.5000000), wk = 0.0022523 k( 328) = ( 0.2943723 0.2943723 0.5000000), wk = 0.0022523 k( 329) = ( 0.2900433 0.2900433 0.5000000), wk = 0.0022523 k( 330) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0022523 k( 331) = ( 0.2813853 0.2813853 0.5000000), wk = 0.0022523 k( 332) = ( 0.2770563 0.2770563 0.5000000), wk = 0.0022523 k( 333) = ( 0.2727273 0.2727273 0.5000000), wk = 0.0022523 k( 334) = ( 0.2683983 0.2683983 0.5000000), wk = 0.0022523 k( 335) = ( 0.2640693 0.2640693 0.5000000), wk = 0.0022523 k( 336) = ( 0.2597403 0.2597403 0.5000000), wk = 0.0022523 k( 337) = ( 0.2554113 0.2554113 0.5000000), wk = 0.0022523 k( 338) = ( 0.2510823 0.2510823 0.5000000), wk = 0.0022523 k( 339) = ( 0.2467533 0.2467533 0.5000000), wk = 0.0022523 k( 340) = ( 0.2424242 0.2424242 0.5000000), wk = 0.0022523 k( 341) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0022523 k( 342) = ( 0.2337662 0.2337662 0.5000000), wk = 0.0022523 k( 343) = ( 0.2294372 0.2294372 0.5000000), wk = 0.0022523 k( 344) = ( 0.2251082 0.2251082 0.5000000), wk = 0.0022523 k( 345) = ( 0.2207792 0.2207792 0.5000000), wk = 0.0022523 k( 346) = ( 0.2164502 0.2164502 0.5000000), wk = 0.0022523 k( 347) = ( 0.2121212 0.2121212 0.5000000), wk = 0.0022523 k( 348) = ( 0.2077922 0.2077922 0.5000000), wk = 0.0022523 k( 349) = ( 0.2034632 0.2034632 0.5000000), wk = 0.0022523 k( 350) = ( 0.1991342 0.1991342 0.5000000), wk = 0.0022523 k( 351) = ( 0.1948052 0.1948052 0.5000000), wk = 0.0022523 k( 352) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0022523 k( 353) = ( 0.1861472 0.1861472 0.5000000), wk = 0.0022523 k( 354) = ( 0.1818182 0.1818182 0.5000000), wk = 0.0022523 k( 355) = ( 0.1774892 0.1774892 0.5000000), wk = 0.0022523 k( 356) = ( 0.1731602 0.1731602 0.5000000), wk = 0.0022523 k( 357) = ( 0.1688312 0.1688312 0.5000000), wk = 0.0022523 k( 358) = ( 0.1645022 0.1645022 0.5000000), wk = 0.0022523 k( 359) = ( 0.1601732 0.1601732 0.5000000), wk = 0.0022523 k( 360) = ( 0.1558442 0.1558442 0.5000000), wk = 0.0022523 k( 361) = ( 0.1515151 0.1515151 0.5000000), wk = 0.0022523 k( 362) = ( 0.1471861 0.1471861 0.5000000), wk = 0.0022523 k( 363) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0022523 k( 364) = ( 0.1385281 0.1385281 0.5000000), wk = 0.0022523 k( 365) = ( 0.1341991 0.1341991 0.5000000), wk = 0.0022523 k( 366) = ( 0.1298701 0.1298701 0.5000000), wk = 0.0022523 k( 367) = ( 0.1255411 0.1255411 0.5000000), wk = 0.0022523 k( 368) = ( 0.1212121 0.1212121 0.5000000), wk = 0.0022523 k( 369) = ( 0.1168831 0.1168831 0.5000000), wk = 0.0022523 k( 370) = ( 0.1125541 0.1125541 0.5000000), wk = 0.0022523 k( 371) = ( 0.1082251 0.1082251 0.5000000), wk = 0.0022523 k( 372) = ( 0.1038961 0.1038961 0.5000000), wk = 0.0022523 k( 373) = ( 0.0995671 0.0995671 0.5000000), wk = 0.0022523 k( 374) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0022523 k( 375) = ( 0.0909091 0.0909091 0.5000000), wk = 0.0022523 k( 376) = ( 0.0865801 0.0865801 0.5000000), wk = 0.0022523 k( 377) = ( 0.0822511 0.0822511 0.5000000), wk = 0.0022523 k( 378) = ( 0.0779221 0.0779221 0.5000000), wk = 0.0022523 k( 379) = ( 0.0735931 0.0735931 0.5000000), wk = 0.0022523 k( 380) = ( 0.0692641 0.0692641 0.5000000), wk = 0.0022523 k( 381) = ( 0.0649351 0.0649351 0.5000000), wk = 0.0022523 k( 382) = ( 0.0606061 0.0606061 0.5000000), wk = 0.0022523 k( 383) = ( 0.0562771 0.0562771 0.5000000), wk = 0.0022523 k( 384) = ( 0.0519481 0.0519481 0.5000000), wk = 0.0022523 k( 385) = ( 0.0476191 0.0476191 0.5000000), wk = 0.0022523 k( 386) = ( 0.0432900 0.0432900 0.5000000), wk = 0.0022523 k( 387) = ( 0.0389610 0.0389610 0.5000000), wk = 0.0022523 k( 388) = ( 0.0346320 0.0346320 0.5000000), wk = 0.0022523 k( 389) = ( 0.0303030 0.0303030 0.5000000), wk = 0.0022523 k( 390) = ( 0.0259740 0.0259740 0.5000000), wk = 0.0022523 k( 391) = ( 0.0216450 0.0216450 0.5000000), wk = 0.0022523 k( 392) = ( 0.0173160 0.0173160 0.5000000), wk = 0.0022523 k( 393) = ( 0.0129870 0.0129870 0.5000000), wk = 0.0022523 k( 394) = ( 0.0086580 0.0086580 0.5000000), wk = 0.0022523 k( 395) = ( 0.0043290 0.0043290 0.5000000), wk = 0.0022523 k( 396) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022523 k( 397) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022523 k( 398) = ( 0.5000000 0.0000000 0.4782609), wk = 0.0022523 k( 399) = ( 0.5000000 0.0000000 0.4565217), wk = 0.0022523 k( 400) = ( 0.5000000 0.0000000 0.4347826), wk = 0.0022523 k( 401) = ( 0.5000000 0.0000000 0.4130435), wk = 0.0022523 k( 402) = ( 0.5000000 0.0000000 0.3913044), wk = 0.0022523 k( 403) = ( 0.5000000 0.0000000 0.3695652), wk = 0.0022523 k( 404) = ( 0.5000000 0.0000000 0.3478261), wk = 0.0022523 k( 405) = ( 0.5000000 0.0000000 0.3260870), wk = 0.0022523 k( 406) = ( 0.5000000 0.0000000 0.3043478), wk = 0.0022523 k( 407) = ( 0.5000000 0.0000000 0.2826087), wk = 0.0022523 k( 408) = ( 0.5000000 0.0000000 0.2608696), wk = 0.0022523 k( 409) = ( 0.5000000 0.0000000 0.2391304), wk = 0.0022523 k( 410) = ( 0.5000000 0.0000000 0.2173913), wk = 0.0022523 k( 411) = ( 0.5000000 0.0000000 0.1956522), wk = 0.0022523 k( 412) = ( 0.5000000 0.0000000 0.1739130), wk = 0.0022523 k( 413) = ( 0.5000000 0.0000000 0.1521739), wk = 0.0022523 k( 414) = ( 0.5000000 0.0000000 0.1304348), wk = 0.0022523 k( 415) = ( 0.5000000 0.0000000 0.1086957), wk = 0.0022523 k( 416) = ( 0.5000000 0.0000000 0.0869565), wk = 0.0022523 k( 417) = ( 0.5000000 0.0000000 0.0652174), wk = 0.0022523 k( 418) = ( 0.5000000 0.0000000 0.0434783), wk = 0.0022523 k( 419) = ( 0.5000000 0.0000000 0.0217391), wk = 0.0022523 k( 420) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0022523 k( 421) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0022523 k( 422) = ( 0.3333333 0.3333333 0.0217391), wk = 0.0022523 k( 423) = ( 0.3333333 0.3333333 0.0434783), wk = 0.0022523 k( 424) = ( 0.3333333 0.3333333 0.0652174), wk = 0.0022523 k( 425) = ( 0.3333333 0.3333333 0.0869565), wk = 0.0022523 k( 426) = ( 0.3333333 0.3333333 0.1086957), wk = 0.0022523 k( 427) = ( 0.3333333 0.3333333 0.1304348), wk = 0.0022523 k( 428) = ( 0.3333333 0.3333333 0.1521739), wk = 0.0022523 k( 429) = ( 0.3333333 0.3333333 0.1739130), wk = 0.0022523 k( 430) = ( 0.3333333 0.3333333 0.1956522), wk = 0.0022523 k( 431) = ( 0.3333333 0.3333333 0.2173913), wk = 0.0022523 k( 432) = ( 0.3333333 0.3333333 0.2391304), wk = 0.0022523 k( 433) = ( 0.3333333 0.3333333 0.2608696), wk = 0.0022523 k( 434) = ( 0.3333333 0.3333333 0.2826087), wk = 0.0022523 k( 435) = ( 0.3333333 0.3333333 0.3043478), wk = 0.0022523 k( 436) = ( 0.3333333 0.3333333 0.3260870), wk = 0.0022523 k( 437) = ( 0.3333333 0.3333333 0.3478261), wk = 0.0022523 k( 438) = ( 0.3333333 0.3333333 0.3695652), wk = 0.0022523 k( 439) = ( 0.3333333 0.3333333 0.3913044), wk = 0.0022523 k( 440) = ( 0.3333333 0.3333333 0.4130435), wk = 0.0022523 k( 441) = ( 0.3333333 0.3333333 0.4347826), wk = 0.0022523 k( 442) = ( 0.3333333 0.3333333 0.4565217), wk = 0.0022523 k( 443) = ( 0.3333333 0.3333333 0.4782609), wk = 0.0022523 k( 444) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0022523 Dense grid: 43899 G-vectors FFT dimensions: ( 36, 36, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 324, 28) NL pseudopotentials 0.21 Mb ( 162, 84) Each V/rho on FFT grid 0.06 Mb ( 3888) Each G-vector array 0.01 Mb ( 1223) G-vector shells 0.00 Mb ( 554) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.55 Mb ( 324, 112) Each subspace H/S matrix 0.01 Mb ( 28, 28) Each matrix 0.07 Mb ( 84, 2, 28) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./LiBC.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.6 secs Computing kpt #: 2 total cpu time spent up to now is 3.0 secs Computing kpt #: 3 total cpu time spent up to now is 3.3 secs Computing kpt #: 4 total cpu time spent up to now is 3.6 secs Computing kpt #: 5 total cpu time spent up to now is 3.9 secs Computing kpt #: 6 total cpu time spent up to now is 4.2 secs Computing kpt #: 7 total cpu time spent up to now is 4.5 secs Computing kpt #: 8 total cpu time spent up to now is 4.7 secs Computing kpt #: 9 total cpu time spent up to now is 5.0 secs Computing kpt #: 10 total cpu time spent up to now is 5.2 secs Computing kpt #: 11 total cpu time spent up to now is 5.5 secs Computing kpt #: 12 total cpu time spent up to now is 5.8 secs Computing kpt #: 13 total cpu time spent up to now is 6.1 secs Computing kpt #: 14 total cpu time spent up to now is 6.4 secs Computing kpt #: 15 total cpu time spent up to now is 6.6 secs Computing kpt #: 16 total cpu time spent up to now is 6.9 secs Computing kpt #: 17 total cpu time spent up to now is 7.1 secs Computing kpt #: 18 total cpu time spent up to now is 7.3 secs Computing kpt #: 19 total cpu time spent up to now is 7.6 secs Computing kpt #: 20 total cpu time spent up to now is 7.8 secs Computing kpt #: 21 total cpu time spent up to now is 8.1 secs Computing kpt #: 22 total cpu time spent up to now is 8.3 secs Computing kpt #: 23 total cpu time spent up to now is 8.5 secs Computing kpt #: 24 total cpu time spent up to now is 8.7 secs Computing kpt #: 25 total cpu time spent up to now is 8.9 secs Computing kpt #: 26 total cpu time spent up to now is 9.2 secs Computing kpt #: 27 total cpu time spent up to now is 9.4 secs Computing kpt #: 28 total cpu time spent up to now is 9.6 secs Computing kpt #: 29 total cpu time spent up to now is 9.9 secs Computing kpt #: 30 total cpu time spent up to now is 10.1 secs Computing kpt #: 31 total cpu time spent up to now is 10.4 secs Computing kpt #: 32 total cpu time spent up to now is 10.6 secs Computing kpt #: 33 total cpu time spent up to now is 10.8 secs Computing kpt #: 34 total cpu time spent up to now is 11.1 secs Computing kpt #: 35 total cpu time spent up to now is 11.3 secs Computing kpt #: 36 total cpu time spent up to now is 11.5 secs Computing kpt #: 37 total cpu time spent up to now is 11.7 secs Computing kpt #: 38 total cpu time spent up to now is 11.9 secs Computing kpt #: 39 total cpu time spent up to now is 12.1 secs Computing kpt #: 40 total cpu time spent up to now is 12.3 secs Computing kpt #: 41 total cpu time spent up to now is 12.5 secs Computing kpt #: 42 total cpu time spent up to now is 12.7 secs Computing kpt #: 43 total cpu time spent up to now is 12.9 secs Computing kpt #: 44 total cpu time spent up to now is 13.1 secs Computing kpt #: 45 total cpu time spent up to now is 13.3 secs Computing kpt #: 46 total cpu time spent up to now is 13.5 secs Computing kpt #: 47 total cpu time spent up to now is 13.7 secs Computing kpt #: 48 total cpu time spent up to now is 13.9 secs Computing kpt #: 49 total cpu time spent up to now is 14.0 secs Computing kpt #: 50 total cpu time spent up to now is 14.2 secs Computing kpt #: 51 total cpu time spent up to now is 14.4 secs Computing kpt #: 52 total cpu time spent up to now is 14.6 secs Computing kpt #: 53 total cpu time spent up to now is 14.8 secs Computing kpt #: 54 total cpu time spent up to now is 15.0 secs Computing kpt #: 55 total cpu time spent up to now is 15.2 secs Computing kpt #: 56 total cpu time spent up to now is 15.4 secs Computing kpt #: 57 total cpu time spent up to now is 15.6 secs Computing kpt #: 58 total cpu time spent up to now is 15.8 secs Computing kpt #: 59 total cpu time spent up to now is 16.0 secs Computing kpt #: 60 total cpu time spent up to now is 16.1 secs Computing kpt #: 61 total cpu time spent up to now is 16.3 secs Computing kpt #: 62 total cpu time spent up to now is 16.5 secs Computing kpt #: 63 total cpu time spent up to now is 16.7 secs Computing kpt #: 64 total cpu time spent up to now is 16.9 secs Computing kpt #: 65 total cpu time spent up to now is 17.1 secs Computing kpt #: 66 total cpu time spent up to now is 17.4 secs Computing kpt #: 67 total cpu time spent up to now is 17.6 secs Computing kpt #: 68 total cpu time spent up to now is 17.9 secs Computing kpt #: 69 total cpu time spent up to now is 18.1 secs Computing kpt #: 70 total cpu time spent up to now is 18.4 secs Computing kpt #: 71 total cpu time spent up to now is 18.6 secs Computing kpt #: 72 total cpu time spent up to now is 18.8 secs Computing kpt #: 73 total cpu time spent up to now is 19.0 secs Computing kpt #: 74 total cpu time spent up to now is 19.1 secs Computing kpt #: 75 total cpu time spent up to now is 19.3 secs Computing kpt #: 76 total cpu time spent up to now is 19.5 secs Computing kpt #: 77 total cpu time spent up to now is 19.7 secs Computing kpt #: 78 total cpu time spent up to now is 19.9 secs Computing kpt #: 79 total cpu time spent up to now is 20.1 secs Computing kpt #: 80 total cpu time spent up to now is 20.2 secs Computing kpt #: 81 total cpu time spent up to now is 20.4 secs Computing kpt #: 82 total cpu time spent up to now is 20.6 secs Computing kpt #: 83 total cpu time spent up to now is 20.8 secs Computing kpt #: 84 total cpu time spent up to now is 21.0 secs Computing kpt #: 85 total cpu time spent up to now is 21.2 secs Computing kpt #: 86 total cpu time spent up to now is 21.3 secs Computing kpt #: 87 total cpu time spent up to now is 21.5 secs Computing kpt #: 88 total cpu time spent up to now is 21.7 secs Computing kpt #: 89 total cpu time spent up to now is 21.9 secs Computing kpt #: 90 total cpu time spent up to now is 22.1 secs Computing kpt #: 91 total cpu time spent up to now is 22.3 secs Computing kpt #: 92 total cpu time spent up to now is 22.5 secs Computing kpt #: 93 total cpu time spent up to now is 22.6 secs Computing kpt #: 94 total cpu time spent up to now is 22.8 secs Computing kpt #: 95 total cpu time spent up to now is 23.0 secs Computing kpt #: 96 total cpu time spent up to now is 23.2 secs Computing kpt #: 97 total cpu time spent up to now is 23.4 secs Computing kpt #: 98 total cpu time spent up to now is 23.6 secs Computing kpt #: 99 total cpu time spent up to now is 23.7 secs Computing kpt #: 100 total cpu time spent up to now is 23.9 secs Computing kpt #: 101 total cpu time spent up to now is 24.1 secs Computing kpt #: 102 total cpu time spent up to now is 24.3 secs Computing kpt #: 103 total cpu time spent up to now is 24.4 secs Computing kpt #: 104 total cpu time spent up to now is 24.6 secs Computing kpt #: 105 total cpu time spent up to now is 24.8 secs Computing kpt #: 106 total cpu time spent up to now is 25.0 secs Computing kpt #: 107 total cpu time spent up to now is 25.1 secs Computing kpt #: 108 total cpu time spent up to now is 25.3 secs Computing kpt #: 109 total cpu time spent up to now is 25.5 secs Computing kpt #: 110 total cpu time spent up to now is 25.7 secs Computing kpt #: 111 total cpu time spent up to now is 25.8 secs Computing kpt #: 112 total cpu time spent up to now is 26.0 secs Computing kpt #: 113 total cpu time spent up to now is 26.2 secs Computing kpt #: 114 total cpu time spent up to now is 26.3 secs Computing kpt #: 115 total cpu time spent up to now is 26.5 secs Computing kpt #: 116 total cpu time spent up to now is 26.7 secs Computing kpt #: 117 total cpu time spent up to now is 26.9 secs Computing kpt #: 118 total cpu time spent up to now is 27.0 secs Computing kpt #: 119 total cpu time spent up to now is 27.2 secs Computing kpt #: 120 total cpu time spent up to now is 27.4 secs Computing kpt #: 121 total cpu time spent up to now is 27.6 secs Computing kpt #: 122 total cpu time spent up to now is 27.8 secs Computing kpt #: 123 total cpu time spent up to now is 28.0 secs Computing kpt #: 124 total cpu time spent up to now is 28.1 secs Computing kpt #: 125 total cpu time spent up to now is 28.3 secs Computing kpt #: 126 total cpu time spent up to now is 28.5 secs Computing kpt #: 127 total cpu time spent up to now is 28.7 secs Computing kpt #: 128 total cpu time spent up to now is 28.9 secs Computing kpt #: 129 total cpu time spent up to now is 29.1 secs Computing kpt #: 130 total cpu time spent up to now is 29.2 secs Computing kpt #: 131 total cpu time spent up to now is 29.4 secs Computing kpt #: 132 total cpu time spent up to now is 29.6 secs Computing kpt #: 133 total cpu time spent up to now is 29.8 secs Computing kpt #: 134 total cpu time spent up to now is 30.0 secs Computing kpt #: 135 total cpu time spent up to now is 30.3 secs Computing kpt #: 136 total cpu time spent up to now is 30.5 secs Computing kpt #: 137 total cpu time spent up to now is 30.7 secs Computing kpt #: 138 total cpu time spent up to now is 30.9 secs Computing kpt #: 139 total cpu time spent up to now is 31.2 secs Computing kpt #: 140 total cpu time spent up to now is 31.5 secs Computing kpt #: 141 total cpu time spent up to now is 31.7 secs Computing kpt #: 142 total cpu time spent up to now is 32.0 secs Computing kpt #: 143 total cpu time spent up to now is 32.3 secs Computing kpt #: 144 total cpu time spent up to now is 32.6 secs Computing kpt #: 145 total cpu time spent up to now is 32.8 secs Computing kpt #: 146 total cpu time spent up to now is 33.0 secs Computing kpt #: 147 total cpu time spent up to now is 33.3 secs Computing kpt #: 148 total cpu time spent up to now is 33.5 secs Computing kpt #: 149 total cpu time spent up to now is 33.7 secs Computing kpt #: 150 total cpu time spent up to now is 33.9 secs Computing kpt #: 151 total cpu time spent up to now is 34.1 secs Computing kpt #: 152 total cpu time spent up to now is 34.3 secs Computing kpt #: 153 total cpu time spent up to now is 34.7 secs Computing kpt #: 154 total cpu time spent up to now is 34.9 secs Computing kpt #: 155 total cpu time spent up to now is 35.2 secs Computing kpt #: 156 total cpu time spent up to now is 35.4 secs Computing kpt #: 157 total cpu time spent up to now is 35.6 secs Computing kpt #: 158 total cpu time spent up to now is 35.9 secs Computing kpt #: 159 total cpu time spent up to now is 36.1 secs Computing kpt #: 160 total cpu time spent up to now is 36.4 secs Computing kpt #: 161 total cpu time spent up to now is 36.6 secs Computing kpt #: 162 total cpu time spent up to now is 36.9 secs Computing kpt #: 163 total cpu time spent up to now is 37.2 secs Computing kpt #: 164 total cpu time spent up to now is 37.5 secs Computing kpt #: 165 total cpu time spent up to now is 37.8 secs Computing kpt #: 166 total cpu time spent up to now is 38.1 secs Computing kpt #: 167 total cpu time spent up to now is 38.4 secs Computing kpt #: 168 total cpu time spent up to now is 38.7 secs Computing kpt #: 169 total cpu time spent up to now is 38.9 secs Computing kpt #: 170 total cpu time spent up to now is 39.2 secs Computing kpt #: 171 total cpu time spent up to now is 39.4 secs Computing kpt #: 172 total cpu time spent up to now is 39.7 secs Computing kpt #: 173 total cpu time spent up to now is 40.0 secs Computing kpt #: 174 total cpu time spent up to now is 40.3 secs Computing kpt #: 175 total cpu time spent up to now is 40.5 secs Computing kpt #: 176 total cpu time spent up to now is 40.8 secs Computing kpt #: 177 total cpu time spent up to now is 41.0 secs Computing kpt #: 178 total cpu time spent up to now is 41.2 secs Computing kpt #: 179 total cpu time spent up to now is 41.5 secs Computing kpt #: 180 total cpu time spent up to now is 41.8 secs Computing kpt #: 181 total cpu time spent up to now is 42.0 secs Computing kpt #: 182 total cpu time spent up to now is 42.3 secs Computing kpt #: 183 total cpu time spent up to now is 42.6 secs Computing kpt #: 184 total cpu time spent up to now is 43.0 secs Computing kpt #: 185 total cpu time spent up to now is 43.4 secs Computing kpt #: 186 total cpu time spent up to now is 43.7 secs Computing kpt #: 187 total cpu time spent up to now is 44.0 secs Computing kpt #: 188 total cpu time spent up to now is 44.3 secs Computing kpt #: 189 total cpu time spent up to now is 45.0 secs Computing kpt #: 190 total cpu time spent up to now is 45.5 secs Computing kpt #: 191 total cpu time spent up to now is 45.9 secs Computing kpt #: 192 total cpu time spent up to now is 46.2 secs Computing kpt #: 193 total cpu time spent up to now is 46.5 secs Computing kpt #: 194 total cpu time spent up to now is 46.7 secs Computing kpt #: 195 total cpu time spent up to now is 47.0 secs Computing kpt #: 196 total cpu time spent up to now is 47.2 secs Computing kpt #: 197 total cpu time spent up to now is 47.4 secs Computing kpt #: 198 total cpu time spent up to now is 47.6 secs Computing kpt #: 199 total cpu time spent up to now is 47.9 secs Computing kpt #: 200 total cpu time spent up to now is 48.1 secs Computing kpt #: 201 total cpu time spent up to now is 48.3 secs Computing kpt #: 202 total cpu time spent up to now is 48.6 secs Computing kpt #: 203 total cpu time spent up to now is 48.8 secs Computing kpt #: 204 total cpu time spent up to now is 49.1 secs Computing kpt #: 205 total cpu time spent up to now is 49.4 secs Computing kpt #: 206 total cpu time spent up to now is 49.6 secs Computing kpt #: 207 total cpu time spent up to now is 49.9 secs Computing kpt #: 208 total cpu time spent up to now is 50.2 secs Computing kpt #: 209 total cpu time spent up to now is 50.4 secs Computing kpt #: 210 total cpu time spent up to now is 50.8 secs Computing kpt #: 211 total cpu time spent up to now is 51.1 secs Computing kpt #: 212 total cpu time spent up to now is 51.4 secs Computing kpt #: 213 total cpu time spent up to now is 51.7 secs Computing kpt #: 214 total cpu time spent up to now is 52.0 secs Computing kpt #: 215 total cpu time spent up to now is 52.2 secs Computing kpt #: 216 total cpu time spent up to now is 52.5 secs Computing kpt #: 217 total cpu time spent up to now is 52.8 secs Computing kpt #: 218 total cpu time spent up to now is 53.1 secs Computing kpt #: 219 total cpu time spent up to now is 53.3 secs Computing kpt #: 220 total cpu time spent up to now is 53.6 secs Computing kpt #: 221 total cpu time spent up to now is 53.8 secs Computing kpt #: 222 total cpu time spent up to now is 54.1 secs Computing kpt #: 223 total cpu time spent up to now is 54.4 secs Computing kpt #: 224 total cpu time spent up to now is 54.6 secs Computing kpt #: 225 total cpu time spent up to now is 54.9 secs Computing kpt #: 226 total cpu time spent up to now is 55.1 secs Computing kpt #: 227 total cpu time spent up to now is 55.4 secs Computing kpt #: 228 total cpu time spent up to now is 55.6 secs Computing kpt #: 229 total cpu time spent up to now is 55.9 secs Computing kpt #: 230 total cpu time spent up to now is 56.2 secs Computing kpt #: 231 total cpu time spent up to now is 56.4 secs Computing kpt #: 232 total cpu time spent up to now is 56.7 secs Computing kpt #: 233 total cpu time spent up to now is 57.0 secs Computing kpt #: 234 total cpu time spent up to now is 57.2 secs Computing kpt #: 235 total cpu time spent up to now is 57.4 secs Computing kpt #: 236 total cpu time spent up to now is 57.7 secs Computing kpt #: 237 total cpu time spent up to now is 57.9 secs Computing kpt #: 238 total cpu time spent up to now is 58.1 secs Computing kpt #: 239 total cpu time spent up to now is 58.3 secs Computing kpt #: 240 total cpu time spent up to now is 58.5 secs Computing kpt #: 241 total cpu time spent up to now is 58.7 secs Computing kpt #: 242 total cpu time spent up to now is 58.9 secs Computing kpt #: 243 total cpu time spent up to now is 59.1 secs Computing kpt #: 244 total cpu time spent up to now is 59.3 secs Computing kpt #: 245 total cpu time spent up to now is 59.5 secs Computing kpt #: 246 total cpu time spent up to now is 59.7 secs Computing kpt #: 247 total cpu time spent up to now is 59.9 secs Computing kpt #: 248 total cpu time spent up to now is 60.1 secs Computing kpt #: 249 total cpu time spent up to now is 60.3 secs Computing kpt #: 250 total cpu time spent up to now is 60.5 secs Computing kpt #: 251 total cpu time spent up to now is 60.7 secs Computing kpt #: 252 total cpu time spent up to now is 60.9 secs Computing kpt #: 253 total cpu time spent up to now is 61.1 secs Computing kpt #: 254 total cpu time spent up to now is 61.3 secs Computing kpt #: 255 total cpu time spent up to now is 61.5 secs Computing kpt #: 256 total cpu time spent up to now is 61.7 secs Computing kpt #: 257 total cpu time spent up to now is 61.9 secs Computing kpt #: 258 total cpu time spent up to now is 62.1 secs Computing kpt #: 259 total cpu time spent up to now is 62.3 secs Computing kpt #: 260 total cpu time spent up to now is 62.5 secs Computing kpt #: 261 total cpu time spent up to now is 62.7 secs Computing kpt #: 262 total cpu time spent up to now is 62.9 secs Computing kpt #: 263 total cpu time spent up to now is 63.1 secs Computing kpt #: 264 total cpu time spent up to now is 63.3 secs Computing kpt #: 265 total cpu time spent up to now is 63.5 secs Computing kpt #: 266 total cpu time spent up to now is 63.7 secs Computing kpt #: 267 total cpu time spent up to now is 63.9 secs Computing kpt #: 268 total cpu time spent up to now is 64.1 secs Computing kpt #: 269 total cpu time spent up to now is 64.3 secs Computing kpt #: 270 total cpu time spent up to now is 64.5 secs Computing kpt #: 271 total cpu time spent up to now is 65.0 secs Computing kpt #: 272 total cpu time spent up to now is 65.2 secs Computing kpt #: 273 total cpu time spent up to now is 65.5 secs Computing kpt #: 274 total cpu time spent up to now is 65.6 secs Computing kpt #: 275 total cpu time spent up to now is 65.8 secs Computing kpt #: 276 total cpu time spent up to now is 66.0 secs Computing kpt #: 277 total cpu time spent up to now is 66.2 secs Computing kpt #: 278 total cpu time spent up to now is 66.4 secs Computing kpt #: 279 total cpu time spent up to now is 66.6 secs Computing kpt #: 280 total cpu time spent up to now is 66.7 secs Computing kpt #: 281 total cpu time spent up to now is 66.9 secs Computing kpt #: 282 total cpu time spent up to now is 67.1 secs Computing kpt #: 283 total cpu time spent up to now is 67.3 secs Computing kpt #: 284 total cpu time spent up to now is 67.5 secs Computing kpt #: 285 total cpu time spent up to now is 67.7 secs Computing kpt #: 286 total cpu time spent up to now is 67.9 secs Computing kpt #: 287 total cpu time spent up to now is 68.1 secs Computing kpt #: 288 total cpu time spent up to now is 68.2 secs Computing kpt #: 289 total cpu time spent up to now is 68.4 secs Computing kpt #: 290 total cpu time spent up to now is 68.6 secs Computing kpt #: 291 total cpu time spent up to now is 68.8 secs Computing kpt #: 292 total cpu time spent up to now is 69.0 secs Computing kpt #: 293 total cpu time spent up to now is 69.2 secs Computing kpt #: 294 total cpu time spent up to now is 69.4 secs Computing kpt #: 295 total cpu time spent up to now is 69.7 secs Computing kpt #: 296 total cpu time spent up to now is 69.9 secs Computing kpt #: 297 total cpu time spent up to now is 70.1 secs Computing kpt #: 298 total cpu time spent up to now is 70.3 secs Computing kpt #: 299 total cpu time spent up to now is 70.5 secs Computing kpt #: 300 total cpu time spent up to now is 70.7 secs Computing kpt #: 301 total cpu time spent up to now is 70.9 secs Computing kpt #: 302 total cpu time spent up to now is 71.1 secs Computing kpt #: 303 total cpu time spent up to now is 71.3 secs Computing kpt #: 304 total cpu time spent up to now is 71.5 secs Computing kpt #: 305 total cpu time spent up to now is 71.8 secs Computing kpt #: 306 total cpu time spent up to now is 72.0 secs Computing kpt #: 307 total cpu time spent up to now is 72.2 secs Computing kpt #: 308 total cpu time spent up to now is 72.4 secs Computing kpt #: 309 total cpu time spent up to now is 72.6 secs Computing kpt #: 310 total cpu time spent up to now is 72.8 secs Computing kpt #: 311 total cpu time spent up to now is 73.1 secs Computing kpt #: 312 total cpu time spent up to now is 73.3 secs Computing kpt #: 313 total cpu time spent up to now is 73.6 secs Computing kpt #: 314 total cpu time spent up to now is 73.8 secs Computing kpt #: 315 total cpu time spent up to now is 74.1 secs Computing kpt #: 316 total cpu time spent up to now is 74.4 secs Computing kpt #: 317 total cpu time spent up to now is 74.6 secs Computing kpt #: 318 total cpu time spent up to now is 74.9 secs Computing kpt #: 319 total cpu time spent up to now is 75.2 secs Computing kpt #: 320 total cpu time spent up to now is 75.4 secs Computing kpt #: 321 total cpu time spent up to now is 75.7 secs Computing kpt #: 322 total cpu time spent up to now is 76.0 secs Computing kpt #: 323 total cpu time spent up to now is 76.2 secs Computing kpt #: 324 total cpu time spent up to now is 76.5 secs Computing kpt #: 325 total cpu time spent up to now is 76.7 secs Computing kpt #: 326 total cpu time spent up to now is 76.9 secs Computing kpt #: 327 total cpu time spent up to now is 77.2 secs Computing kpt #: 328 total cpu time spent up to now is 77.4 secs Computing kpt #: 329 total cpu time spent up to now is 77.6 secs Computing kpt #: 330 total cpu time spent up to now is 77.8 secs Computing kpt #: 331 total cpu time spent up to now is 78.0 secs Computing kpt #: 332 total cpu time spent up to now is 78.2 secs Computing kpt #: 333 total cpu time spent up to now is 78.5 secs Computing kpt #: 334 total cpu time spent up to now is 78.7 secs Computing kpt #: 335 total cpu time spent up to now is 78.9 secs Computing kpt #: 336 total cpu time spent up to now is 79.1 secs Computing kpt #: 337 total cpu time spent up to now is 79.3 secs Computing kpt #: 338 total cpu time spent up to now is 79.5 secs Computing kpt #: 339 total cpu time spent up to now is 79.7 secs Computing kpt #: 340 total cpu time spent up to now is 79.9 secs Computing kpt #: 341 total cpu time spent up to now is 80.1 secs Computing kpt #: 342 total cpu time spent up to now is 80.3 secs Computing kpt #: 343 total cpu time spent up to now is 80.5 secs Computing kpt #: 344 total cpu time spent up to now is 80.7 secs Computing kpt #: 345 total cpu time spent up to now is 80.8 secs Computing kpt #: 346 total cpu time spent up to now is 81.0 secs Computing kpt #: 347 total cpu time spent up to now is 81.2 secs Computing kpt #: 348 total cpu time spent up to now is 81.4 secs Computing kpt #: 349 total cpu time spent up to now is 81.6 secs Computing kpt #: 350 total cpu time spent up to now is 81.8 secs Computing kpt #: 351 total cpu time spent up to now is 82.0 secs Computing kpt #: 352 total cpu time spent up to now is 82.2 secs Computing kpt #: 353 total cpu time spent up to now is 82.4 secs Computing kpt #: 354 total cpu time spent up to now is 82.6 secs Computing kpt #: 355 total cpu time spent up to now is 82.8 secs Computing kpt #: 356 total cpu time spent up to now is 83.0 secs Computing kpt #: 357 total cpu time spent up to now is 83.1 secs Computing kpt #: 358 total cpu time spent up to now is 83.3 secs Computing kpt #: 359 total cpu time spent up to now is 83.5 secs Computing kpt #: 360 total cpu time spent up to now is 83.7 secs Computing kpt #: 361 total cpu time spent up to now is 83.9 secs Computing kpt #: 362 total cpu time spent up to now is 84.1 secs Computing kpt #: 363 total cpu time spent up to now is 84.3 secs Computing kpt #: 364 total cpu time spent up to now is 84.5 secs Computing kpt #: 365 total cpu time spent up to now is 84.7 secs Computing kpt #: 366 total cpu time spent up to now is 84.9 secs Computing kpt #: 367 total cpu time spent up to now is 85.1 secs Computing kpt #: 368 total cpu time spent up to now is 85.3 secs Computing kpt #: 369 total cpu time spent up to now is 85.5 secs Computing kpt #: 370 total cpu time spent up to now is 85.8 secs Computing kpt #: 371 total cpu time spent up to now is 86.0 secs Computing kpt #: 372 total cpu time spent up to now is 86.2 secs Computing kpt #: 373 total cpu time spent up to now is 86.5 secs Computing kpt #: 374 total cpu time spent up to now is 86.7 secs Computing kpt #: 375 total cpu time spent up to now is 87.0 secs Computing kpt #: 376 total cpu time spent up to now is 87.3 secs Computing kpt #: 377 total cpu time spent up to now is 87.5 secs Computing kpt #: 378 total cpu time spent up to now is 87.8 secs Computing kpt #: 379 total cpu time spent up to now is 88.1 secs Computing kpt #: 380 total cpu time spent up to now is 88.3 secs Computing kpt #: 381 total cpu time spent up to now is 88.6 secs Computing kpt #: 382 total cpu time spent up to now is 88.9 secs Computing kpt #: 383 total cpu time spent up to now is 89.1 secs Computing kpt #: 384 total cpu time spent up to now is 89.4 secs Computing kpt #: 385 total cpu time spent up to now is 89.7 secs Computing kpt #: 386 total cpu time spent up to now is 89.9 secs Computing kpt #: 387 total cpu time spent up to now is 90.2 secs Computing kpt #: 388 total cpu time spent up to now is 90.5 secs Computing kpt #: 389 total cpu time spent up to now is 90.7 secs Computing kpt #: 390 total cpu time spent up to now is 91.0 secs Computing kpt #: 391 total cpu time spent up to now is 91.3 secs Computing kpt #: 392 total cpu time spent up to now is 91.5 secs Computing kpt #: 393 total cpu time spent up to now is 91.8 secs Computing kpt #: 394 total cpu time spent up to now is 92.1 secs Computing kpt #: 395 total cpu time spent up to now is 92.4 secs Computing kpt #: 396 total cpu time spent up to now is 92.7 secs Computing kpt #: 397 total cpu time spent up to now is 92.8 secs Computing kpt #: 398 total cpu time spent up to now is 93.0 secs Computing kpt #: 399 total cpu time spent up to now is 93.2 secs Computing kpt #: 400 total cpu time spent up to now is 93.4 secs Computing kpt #: 401 total cpu time spent up to now is 93.6 secs Computing kpt #: 402 total cpu time spent up to now is 93.8 secs Computing kpt #: 403 total cpu time spent up to now is 94.0 secs Computing kpt #: 404 total cpu time spent up to now is 94.2 secs Computing kpt #: 405 total cpu time spent up to now is 94.4 secs Computing kpt #: 406 total cpu time spent up to now is 94.5 secs Computing kpt #: 407 total cpu time spent up to now is 94.7 secs Computing kpt #: 408 total cpu time spent up to now is 94.9 secs Computing kpt #: 409 total cpu time spent up to now is 95.1 secs Computing kpt #: 410 total cpu time spent up to now is 95.3 secs Computing kpt #: 411 total cpu time spent up to now is 95.5 secs Computing kpt #: 412 total cpu time spent up to now is 95.7 secs Computing kpt #: 413 total cpu time spent up to now is 95.9 secs Computing kpt #: 414 total cpu time spent up to now is 96.0 secs Computing kpt #: 415 total cpu time spent up to now is 96.2 secs Computing kpt #: 416 total cpu time spent up to now is 96.4 secs Computing kpt #: 417 total cpu time spent up to now is 96.6 secs Computing kpt #: 418 total cpu time spent up to now is 96.8 secs Computing kpt #: 419 total cpu time spent up to now is 97.0 secs Computing kpt #: 420 total cpu time spent up to now is 97.1 secs Computing kpt #: 421 total cpu time spent up to now is 97.3 secs Computing kpt #: 422 total cpu time spent up to now is 97.5 secs Computing kpt #: 423 total cpu time spent up to now is 97.7 secs Computing kpt #: 424 total cpu time spent up to now is 97.8 secs Computing kpt #: 425 total cpu time spent up to now is 98.0 secs Computing kpt #: 426 total cpu time spent up to now is 98.2 secs Computing kpt #: 427 total cpu time spent up to now is 98.4 secs Computing kpt #: 428 total cpu time spent up to now is 98.5 secs Computing kpt #: 429 total cpu time spent up to now is 98.7 secs Computing kpt #: 430 total cpu time spent up to now is 98.9 secs Computing kpt #: 431 total cpu time spent up to now is 99.1 secs Computing kpt #: 432 total cpu time spent up to now is 99.2 secs Computing kpt #: 433 total cpu time spent up to now is 99.4 secs Computing kpt #: 434 total cpu time spent up to now is 99.6 secs Computing kpt #: 435 total cpu time spent up to now is 99.9 secs Computing kpt #: 436 total cpu time spent up to now is 100.1 secs Computing kpt #: 437 total cpu time spent up to now is 100.3 secs Computing kpt #: 438 total cpu time spent up to now is 100.5 secs Computing kpt #: 439 total cpu time spent up to now is 100.7 secs Computing kpt #: 440 total cpu time spent up to now is 100.9 secs Computing kpt #: 441 total cpu time spent up to now is 101.1 secs Computing kpt #: 442 total cpu time spent up to now is 101.4 secs Computing kpt #: 443 total cpu time spent up to now is 101.7 secs Computing kpt #: 444 total cpu time spent up to now is 101.9 secs ethr = 5.00E-08, avg # of iterations = 18.5 total cpu time spent up to now is 101.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5497 PWs) bands (ev): -38.4267 -38.4267 -38.4242 -38.4242 -7.4027 -7.4027 -7.1600 -7.1600 0.6864 0.6864 2.5935 2.5935 6.9723 6.9723 6.9787 6.9787 7.0686 7.0686 7.0751 7.0751 10.6623 10.6623 15.6240 15.6240 15.6276 15.6276 16.2433 16.2435 k = 0.0075 0.0043-0.0000 ( 5505 PWs) bands (ev): -38.4266 -38.4266 -38.4242 -38.4242 -7.4017 -7.4017 -7.1589 -7.1589 0.6874 0.6874 2.5948 2.5948 6.9681 6.9681 6.9750 6.9750 7.0647 7.0647 7.0717 7.0717 10.6626 10.6626 15.6260 15.6260 15.6313 15.6313 16.2432 16.2432 k = 0.0149 0.0086-0.0000 ( 5505 PWs) bands (ev): -38.4266 -38.4266 -38.4241 -38.4241 -7.3986 -7.3986 -7.1557 -7.1557 0.6904 0.6904 2.5987 2.5987 6.9537 6.9537 6.9661 6.9661 7.0513 7.0513 7.0632 7.0632 10.6634 10.6634 15.6293 15.6293 15.6452 15.6452 16.2392 16.2392 k = 0.0224 0.0129-0.0000 ( 5507 PWs) bands (ev): -38.4264 -38.4264 -38.4240 -38.4240 -7.3935 -7.3935 -7.1504 -7.1504 0.6954 0.6954 2.6052 2.6052 6.9281 6.9281 6.9528 6.9528 7.0275 7.0275 7.0508 7.0508 10.6647 10.6647 15.6338 15.6338 15.6690 15.6690 16.2320 16.2320 k = 0.0299 0.0172-0.0000 ( 5515 PWs) bands (ev): -38.4263 -38.4263 -38.4238 -38.4238 -7.3865 -7.3865 -7.1430 -7.1430 0.7025 0.7025 2.6142 2.6142 6.8921 6.8921 6.9348 6.9348 6.9938 6.9938 7.0341 7.0341 10.6666 10.6666 15.6396 15.6396 15.7023 15.7023 16.2223 16.2223 k = 0.0373 0.0215-0.0000 ( 5511 PWs) bands (ev): -38.4261 -38.4261 -38.4236 -38.4236 -7.3773 -7.3773 -7.1335 -7.1335 0.7115 0.7115 2.6259 2.6259 6.8461 6.8461 6.9121 6.9121 6.9507 6.9507 7.0130 7.0130 10.6691 10.6691 15.6464 15.6464 15.7449 15.7449 16.2103 16.2103 k = 0.0448 0.0259-0.0000 ( 5507 PWs) bands (ev): -38.4258 -38.4258 -38.4233 -38.4233 -7.3662 -7.3662 -7.1218 -7.1218 0.7225 0.7225 2.6401 2.6401 6.7904 6.7904 6.8848 6.8848 6.8985 6.8985 6.9876 6.9876 10.6722 10.6722 15.6537 15.6537 15.7966 15.7966 16.1965 16.1965 k = 0.0522 0.0302-0.0000 ( 5507 PWs) bands (ev): -38.4255 -38.4255 -38.4230 -38.4230 -7.3530 -7.3530 -7.1081 -7.1081 0.7355 0.7355 2.6569 2.6569 6.7254 6.7254 6.8374 6.8374 6.8531 6.8531 6.9579 6.9579 10.6758 10.6758 15.6612 15.6612 15.8572 15.8572 16.1810 16.1811 k = 0.0597 0.0345-0.0000 ( 5505 PWs) bands (ev): -38.4251 -38.4251 -38.4227 -38.4227 -7.3378 -7.3378 -7.0922 -7.0922 0.7505 0.7505 2.6763 2.6763 6.6514 6.6514 6.7679 6.7679 6.8171 6.8171 6.9243 6.9243 10.6800 10.6800 15.6683 15.6683 15.9264 15.9264 16.1642 16.1642 k = 0.0672 0.0388-0.0000 ( 5507 PWs) bands (ev): -38.4247 -38.4247 -38.4223 -38.4223 -7.3206 -7.3206 -7.0742 -7.0742 0.7675 0.7675 2.6982 2.6982 6.5688 6.5688 6.6902 6.6902 6.7771 6.7771 6.8869 6.8869 10.6849 10.6849 15.6747 15.6747 16.0039 16.0039 16.1460 16.1460 k = 0.0746 0.0431-0.0000 ( 5507 PWs) bands (ev): -38.4243 -38.4243 -38.4219 -38.4219 -7.3014 -7.3014 -7.0541 -7.0541 0.7866 0.7866 2.7228 2.7228 6.4782 6.4782 6.6048 6.6048 6.7333 6.7333 6.8459 6.8459 10.6904 10.6904 15.6800 15.6800 16.0896 16.0896 16.1265 16.1265 k = 0.0821 0.0474-0.0000 ( 5505 PWs) bands (ev): -38.4238 -38.4238 -38.4214 -38.4214 -7.2802 -7.2802 -7.0319 -7.0319 0.8076 0.8076 2.7498 2.7498 6.3799 6.3799 6.5121 6.5121 6.6861 6.6861 6.8016 6.8016 10.6965 10.6965 15.6839 15.6839 16.1058 16.1058 16.1830 16.1830 k = 0.0896 0.0517-0.0000 ( 5509 PWs) bands (ev): -38.4233 -38.4233 -38.4209 -38.4209 -7.2569 -7.2569 -7.0076 -7.0076 0.8305 0.8305 2.7795 2.7795 6.2743 6.2743 6.4125 6.4125 6.6358 6.6358 6.7542 6.7542 10.7034 10.7034 15.6861 15.6861 16.0838 16.0838 16.2838 16.2838 k = 0.0970 0.0560-0.0000 ( 5509 PWs) bands (ev): -38.4227 -38.4227 -38.4203 -38.4203 -7.2317 -7.2317 -6.9812 -6.9812 0.8555 0.8555 2.8116 2.8116 6.1620 6.1620 6.3064 6.3064 6.5825 6.5825 6.7039 6.7039 10.7109 10.7109 15.6867 15.6867 16.0605 16.0605 16.3918 16.3918 k = 0.1045 0.0603-0.0000 ( 5501 PWs) bands (ev): -38.4221 -38.4221 -38.4197 -38.4197 -7.2044 -7.2044 -6.9528 -6.9528 0.8824 0.8824 2.8464 2.8464 6.0434 6.0434 6.1942 6.1942 6.5265 6.5265 6.6511 6.6511 10.7190 10.7190 15.6855 15.6855 16.0358 16.0358 16.5009 16.5009 k = 0.1119 0.0646-0.0000 ( 5505 PWs) bands (ev): -38.4215 -38.4215 -38.4190 -38.4190 -7.1751 -7.1751 -6.9222 -6.9222 0.9113 0.9113 2.8836 2.8836 5.9190 5.9190 6.0764 6.0764 6.4682 6.4682 6.5960 6.5960 10.7280 10.7280 15.6824 15.6824 16.0097 16.0097 16.3837 16.3837 k = 0.1194 0.0689-0.0000 ( 5505 PWs) bands (ev): -38.4208 -38.4208 -38.4184 -38.4184 -7.1439 -7.1439 -6.8895 -6.8895 0.9422 0.9422 2.9234 2.9234 5.7892 5.7892 5.9533 5.9533 6.4079 6.4079 6.5388 6.5388 10.7376 10.7376 15.6776 15.6776 15.9822 15.9822 16.2398 16.2398 k = 0.1269 0.0732-0.0000 ( 5505 PWs) bands (ev): -38.4201 -38.4201 -38.4177 -38.4177 -7.1106 -7.1106 -6.8548 -6.8548 0.9750 0.9750 2.9657 2.9657 5.6544 5.6544 5.8252 5.8252 6.3457 6.3457 6.4797 6.4797 10.7480 10.7480 15.6711 15.6711 15.9533 15.9533 16.0843 16.0843 k = 0.1343 0.0776-0.0000 ( 5511 PWs) bands (ev): -38.4193 -38.4193 -38.4169 -38.4169 -7.0754 -7.0754 -6.8180 -6.8180 1.0098 1.0098 3.0106 3.0106 5.5150 5.5150 5.6927 5.6927 6.2819 6.2819 6.4191 6.4191 10.7591 10.7591 15.6629 15.6629 15.9208 15.9208 15.9234 15.9234 k = 0.1418 0.0819-0.0000 ( 5509 PWs) bands (ev): -38.4185 -38.4185 -38.4162 -38.4162 -7.0381 -7.0381 -6.7792 -6.7792 1.0465 1.0465 3.0579 3.0579 5.3716 5.3716 5.5561 5.5561 6.2168 6.2168 6.3571 6.3571 10.7710 10.7710 15.6531 15.6531 15.7515 15.7515 15.8918 15.8918 k = 0.1493 0.0862-0.0000 ( 5507 PWs) bands (ev): -38.4177 -38.4177 -38.4154 -38.4154 -6.9989 -6.9989 -6.7383 -6.7383 1.0852 1.0852 3.1077 3.1077 5.2243 5.2243 5.4157 5.4157 6.1507 6.1507 6.2939 6.2939 10.7838 10.7838 15.5766 15.5766 15.6416 15.6416 15.8594 15.8594 k = 0.1567 0.0905-0.0000 ( 5515 PWs) bands (ev): -38.4169 -38.4169 -38.4145 -38.4145 -6.9577 -6.9577 -6.6954 -6.6954 1.1257 1.1257 3.1599 3.1599 5.0737 5.0737 5.2718 5.2718 6.0836 6.0836 6.2299 6.2299 10.7973 10.7973 15.3971 15.3971 15.6283 15.6283 15.8264 15.8264 k = 0.1642 0.0948-0.0000 ( 5507 PWs) bands (ev): -38.4160 -38.4160 -38.4137 -38.4137 -6.9146 -6.9146 -6.6504 -6.6504 1.1682 1.1682 3.2147 3.2147 4.9201 4.9201 5.1247 5.1247 6.0159 6.0159 6.1651 6.1651 10.8117 10.8117 15.2135 15.2135 15.6132 15.6132 15.7930 15.7930 k = 0.1716 0.0991-0.0000 ( 5511 PWs) bands (ev): -38.4151 -38.4151 -38.4128 -38.4128 -6.8695 -6.8695 -6.6034 -6.6034 1.2126 1.2126 3.2718 3.2718 4.7638 4.7638 4.9749 4.9749 5.9478 5.9478 6.0998 6.0998 10.8269 10.8269 15.0265 15.0265 15.5959 15.5959 15.7596 15.7596 k = 0.1791 0.1034-0.0000 ( 5503 PWs) bands (ev): -38.4142 -38.4142 -38.4119 -38.4119 -6.8225 -6.8225 -6.5544 -6.5544 1.2588 1.2588 3.3314 3.3314 4.6050 4.6050 4.8225 4.8225 5.8794 5.8794 6.0341 6.0341 10.8431 10.8431 14.8366 14.8366 15.5761 15.5761 15.7270 15.7270 k = 0.1866 0.1077-0.0000 ( 5509 PWs) bands (ev): -38.4133 -38.4133 -38.4110 -38.4110 -6.7735 -6.7735 -6.5034 -6.5034 1.3070 1.3070 3.3934 3.3934 4.4442 4.4442 4.6678 4.6678 5.8108 5.8108 5.9683 5.9683 10.8601 10.8601 14.6442 14.6442 15.5534 15.5534 15.6956 15.6956 k = 0.1940 0.1120-0.0000 ( 5499 PWs) bands (ev): -38.4123 -38.4123 -38.4100 -38.4100 -6.7226 -6.7226 -6.4504 -6.4504 1.3569 1.3569 3.4578 3.4578 4.2817 4.2817 4.5111 4.5111 5.7424 5.7424 5.9025 5.9025 10.8780 10.8780 14.4499 14.4499 15.5273 15.5273 15.6661 15.6661 k = 0.2015 0.1163-0.0000 ( 5495 PWs) bands (ev): -38.4113 -38.4113 -38.4090 -38.4090 -6.6698 -6.6698 -6.3954 -6.3954 1.4087 1.4087 3.5245 3.5245 4.1175 4.1175 4.3527 4.3527 5.6742 5.6742 5.8368 5.8368 10.8968 10.8968 14.2540 14.2540 15.4977 15.4977 15.5835 15.5835 k = 0.2090 0.1206-0.0000 ( 5497 PWs) bands (ev): -38.4103 -38.4103 -38.4081 -38.4081 -6.6151 -6.6151 -6.3385 -6.3385 1.4623 1.4623 3.5936 3.5936 3.9521 3.9521 4.1928 4.1928 5.6063 5.6063 5.7714 5.7714 10.9166 10.9166 14.0570 14.0570 15.4646 15.4646 15.4655 15.4655 k = 0.2164 0.1249-0.0000 ( 5511 PWs) bands (ev): -38.4093 -38.4093 -38.4071 -38.4071 -6.5585 -6.5585 -6.2796 -6.2796 1.5177 1.5177 3.6650 3.6650 3.7856 3.7856 4.0315 4.0315 5.5390 5.5390 5.7064 5.7064 10.9373 10.9373 13.8592 13.8592 15.3418 15.3418 15.4287 15.4287 k = 0.2239 0.1293-0.0000 ( 5507 PWs) bands (ev): -38.4083 -38.4083 -38.4061 -38.4061 -6.5000 -6.5000 -6.2188 -6.2188 1.5748 1.5748 3.6183 3.6183 3.7387 3.7387 3.8692 3.8692 5.4723 5.4723 5.6420 5.6420 10.9590 10.9590 13.6611 13.6611 15.2126 15.2126 15.3904 15.3904 k = 0.2313 0.1336-0.0000 ( 5511 PWs) bands (ev): -38.4073 -38.4073 -38.4051 -38.4051 -6.4397 -6.4397 -6.1561 -6.1561 1.6336 1.6336 3.4504 3.4504 3.7060 3.7060 3.8146 3.8146 5.4064 5.4064 5.5782 5.5782 10.9816 10.9816 13.4628 13.4628 15.0782 15.0782 15.3503 15.3503 k = 0.2388 0.1379-0.0000 ( 5505 PWs) bands (ev): -38.4063 -38.4063 -38.4041 -38.4041 -6.3775 -6.3775 -6.0915 -6.0915 1.6942 1.6942 3.2821 3.2821 3.5421 3.5421 3.8927 3.8927 5.3413 5.3413 5.5153 5.5153 11.0052 11.0052 13.2649 13.2649 14.9389 14.9389 15.3089 15.3089 k = 0.2463 0.1422-0.0000 ( 5499 PWs) bands (ev): -38.4053 -38.4053 -38.4031 -38.4031 -6.3136 -6.3136 -6.0251 -6.0251 1.7563 1.7563 3.1135 3.1135 3.3777 3.3777 3.9730 3.9730 5.2773 5.2773 5.4532 5.4532 11.0298 11.0298 13.0674 13.0674 14.7952 14.7952 15.2664 15.2664 k = 0.2537 0.1465-0.0000 ( 5495 PWs) bands (ev): -38.4042 -38.4042 -38.4020 -38.4020 -6.2478 -6.2478 -5.9568 -5.9568 1.8201 1.8201 2.9449 2.9449 3.2130 3.2130 4.0555 4.0555 5.2142 5.2142 5.3921 5.3921 11.0554 11.0554 12.8707 12.8707 14.6474 14.6474 15.2232 15.2232 k = 0.2612 0.1508-0.0000 ( 5491 PWs) bands (ev): -38.4032 -38.4032 -38.4010 -38.4010 -6.1803 -6.1803 -5.8867 -5.8867 1.8855 1.8855 2.7765 2.7765 3.0481 3.0481 4.1400 4.1400 5.1524 5.1524 5.3321 5.3321 11.0819 11.0819 12.6752 12.6752 14.4958 14.4958 15.1794 15.1794 k = 0.2687 0.1551-0.0000 ( 5486 PWs) bands (ev): -38.4022 -38.4022 -38.4000 -38.4000 -6.1111 -6.1111 -5.8149 -5.8149 1.9524 1.9524 2.6084 2.6084 2.8833 2.8833 4.2266 4.2266 5.0918 5.0918 5.2733 5.2733 11.1094 11.1094 12.4809 12.4809 14.3410 14.3410 15.1352 15.1352 k = 0.2761 0.1594-0.0000 ( 5486 PWs) bands (ev): -38.4011 -38.4011 -38.3990 -38.3990 -6.0401 -6.0401 -5.7413 -5.7413 2.0207 2.0207 2.4407 2.4407 2.7186 2.7186 4.3151 4.3151 5.0325 5.0325 5.2157 5.2157 11.1379 11.1379 12.2882 12.2882 14.1831 14.1831 15.0907 15.0907 k = 0.2836 0.1637-0.0000 ( 5486 PWs) bands (ev): -38.4001 -38.4001 -38.3980 -38.3980 -5.9675 -5.9675 -5.6661 -5.6661 2.0904 2.0904 2.2736 2.2736 2.5542 2.5542 4.4056 4.4056 4.9746 4.9746 5.1595 5.1595 11.1673 11.1673 12.0974 12.0974 14.0227 14.0227 15.0460 15.0460 k = 0.2910 0.1680-0.0000 ( 5490 PWs) bands (ev): -38.3991 -38.3991 -38.3970 -38.3970 -5.8933 -5.8933 -5.5891 -5.5891 2.1074 2.1074 2.1615 2.1615 2.3904 2.3904 4.4979 4.4979 4.9182 4.9182 5.1046 5.1046 11.1976 11.1976 11.9085 11.9085 13.8600 13.8600 15.0011 15.0011 k = 0.2985 0.1723-0.0000 ( 5486 PWs) bands (ev): -38.3981 -38.3981 -38.3961 -38.3961 -5.8175 -5.8175 -5.5106 -5.5106 1.9421 1.9421 2.2271 2.2271 2.2338 2.2338 4.5919 4.5919 4.8632 4.8632 5.0511 5.0511 11.2287 11.2287 11.7220 11.7220 13.6954 13.6954 14.9562 14.9562 k = 0.3060 0.1767-0.0000 ( 5490 PWs) bands (ev): -38.3972 -38.3972 -38.3951 -38.3951 -5.7402 -5.7402 -5.4306 -5.4306 1.7778 1.7778 2.0646 2.0646 2.3072 2.3072 4.6876 4.6876 4.8099 4.8099 4.9992 4.9992 11.2607 11.2607 11.5380 11.5380 13.5293 13.5293 14.9111 14.9111 k = 0.3134 0.1810-0.0000 ( 5490 PWs) bands (ev): -38.3962 -38.3962 -38.3942 -38.3942 -5.6615 -5.6615 -5.3490 -5.3490 1.6149 1.6149 1.9030 1.9030 2.3817 2.3817 4.7582 4.7582 4.7849 4.7849 4.9489 4.9489 11.2936 11.2936 11.3568 11.3568 13.3621 13.3621 14.8661 14.8661 k = 0.3209 0.1853-0.0000 ( 5494 PWs) bands (ev): -38.3953 -38.3953 -38.3932 -38.3932 -5.5813 -5.5813 -5.2661 -5.2661 1.4533 1.4533 1.7425 1.7425 2.4572 2.4572 4.7082 4.7082 4.8835 4.8835 4.9002 4.9002 11.1785 11.1785 11.3271 11.3271 13.1939 13.1939 14.8211 14.8211 k = 0.3284 0.1896-0.0000 ( 5496 PWs) bands (ev): -38.3944 -38.3944 -38.3923 -38.3923 -5.4998 -5.4998 -5.1818 -5.1818 1.2933 1.2933 1.5833 1.5833 2.5335 2.5335 4.6600 4.6600 4.8531 4.8531 4.9836 4.9836 11.0036 11.0036 11.3614 11.3614 13.0253 13.0253 14.7761 14.7761 k = 0.3358 0.1939-0.0000 ( 5498 PWs) bands (ev): -38.3935 -38.3935 -38.3914 -38.3914 -5.4171 -5.4171 -5.0963 -5.0963 1.1351 1.1351 1.4254 1.4254 2.6104 2.6104 4.6135 4.6135 4.8078 4.8078 5.0848 5.0848 10.8322 10.8322 11.3963 11.3963 12.8564 12.8564 14.7312 14.7312 k = 0.3433 0.1982-0.0000 ( 5490 PWs) bands (ev): -38.3926 -38.3926 -38.3906 -38.3906 -5.3333 -5.3333 -5.0097 -5.0097 0.9788 0.9788 1.2691 1.2691 2.6879 2.6879 4.5688 4.5688 4.7642 4.7642 5.1870 5.1870 10.6647 10.6647 11.4317 11.4317 12.6876 12.6876 14.6865 14.6865 k = 0.3507 0.2025-0.0000 ( 5490 PWs) bands (ev): -38.3918 -38.3918 -38.3897 -38.3897 -5.2485 -5.2485 -4.9220 -4.9220 0.8246 0.8246 1.1144 1.1144 2.7657 2.7657 4.5260 4.5260 4.7224 4.7224 5.2899 5.2899 10.5013 10.5013 11.4676 11.4676 12.5193 12.5193 14.6419 14.6419 k = 0.3582 0.2068-0.0000 ( 5498 PWs) bands (ev): -38.3909 -38.3909 -38.3889 -38.3889 -5.1628 -5.1628 -4.8335 -4.8335 0.6728 0.6728 0.9617 0.9617 2.8437 2.8437 4.4851 4.4851 4.6824 4.6824 5.3934 5.3934 10.3424 10.3424 11.5039 11.5039 12.3518 12.3518 14.5976 14.5976 k = 0.3657 0.2111-0.0000 ( 5506 PWs) bands (ev): -38.3902 -38.3902 -38.3882 -38.3882 -5.0764 -5.0764 -4.7444 -4.7444 0.5235 0.5235 0.8111 0.8111 2.9217 2.9217 4.4461 4.4461 4.6444 4.6444 5.4971 5.4971 10.1884 10.1884 11.5403 11.5403 12.1854 12.1854 14.5536 14.5536 k = 0.3731 0.2154-0.0000 ( 5498 PWs) bands (ev): -38.3894 -38.3894 -38.3874 -38.3874 -4.9895 -4.9895 -4.6547 -4.6547 0.3770 0.3770 0.6629 0.6629 2.9993 2.9993 4.4090 4.4090 4.6082 4.6082 5.6008 5.6008 10.0397 10.0397 11.5769 11.5769 12.0204 12.0204 14.5100 14.5100 k = 0.3806 0.2197-0.0000 ( 5494 PWs) bands (ev): -38.3887 -38.3887 -38.3867 -38.3867 -4.9022 -4.9022 -4.5647 -4.5647 0.2336 0.2336 0.5172 0.5172 3.0763 3.0763 4.3740 4.3740 4.5739 4.5739 5.7041 5.7041 9.8968 9.8968 11.6134 11.6134 11.8574 11.8574 14.4670 14.4670 k = 0.3881 0.2240-0.0000 ( 5484 PWs) bands (ev): -38.3880 -38.3880 -38.3860 -38.3860 -4.8149 -4.8149 -4.4747 -4.4747 0.0936 0.0936 0.3743 0.3743 3.1524 3.1524 4.3409 4.3409 4.5416 4.5416 5.8066 5.8066 9.7601 9.7601 11.6497 11.6497 11.6966 11.6966 14.4246 14.4246 k = 0.3955 0.2284-0.0000 ( 5480 PWs) bands (ev): -38.3873 -38.3873 -38.3854 -38.3854 -4.7278 -4.7278 -4.3850 -4.3850 -0.0425 -0.0425 0.2347 0.2347 3.2273 3.2273 4.3099 4.3099 4.5113 4.5113 5.9078 5.9078 9.6301 9.6301 11.5385 11.5385 11.6857 11.6857 14.3830 14.3830 k = 0.4030 0.2327-0.0000 ( 5482 PWs) bands (ev): -38.3867 -38.3867 -38.3848 -38.3848 -4.6413 -4.6413 -4.2959 -4.2959 -0.1745 -0.1745 0.0986 0.0986 3.3005 3.3005 4.2809 4.2809 4.4830 4.4830 6.0071 6.0071 9.5076 9.5076 11.3837 11.3837 11.7210 11.7210 14.3425 14.3425 k = 0.4104 0.2370-0.0000 ( 5480 PWs) bands (ev): -38.3861 -38.3861 -38.3842 -38.3842 -4.5558 -4.5558 -4.2080 -4.2080 -0.3017 -0.3017 -0.0335 -0.0335 3.3717 3.3717 4.2540 4.2540 4.4567 4.4567 6.1039 6.1039 9.3931 9.3931 11.2327 11.2327 11.7554 11.7554 14.3032 14.3032 k = 0.4179 0.2413-0.0000 ( 5484 PWs) bands (ev): -38.3856 -38.3856 -38.3837 -38.3837 -4.4718 -4.4718 -4.1217 -4.1217 -0.4236 -0.4236 -0.1611 -0.1611 3.4404 3.4404 4.2292 4.2292 4.4324 4.4324 6.1974 6.1974 9.2873 9.2873 11.0861 11.0861 11.7888 11.7888 14.2653 14.2653 k = 0.4254 0.2456-0.0000 ( 5482 PWs) bands (ev): -38.3851 -38.3851 -38.3832 -38.3832 -4.3899 -4.3899 -4.0376 -4.0376 -0.5396 -0.5396 -0.2837 -0.2837 3.5060 3.5060 4.2065 4.2065 4.4102 4.4102 6.2868 6.2868 9.1909 9.1909 10.9448 10.9448 11.8207 11.8207 14.2291 14.2291 k = 0.4328 0.2499-0.0000 ( 5480 PWs) bands (ev): -38.3847 -38.3847 -38.3828 -38.3828 -4.3108 -4.3108 -3.9565 -3.9565 -0.6489 -0.6489 -0.4005 -0.4005 3.5680 3.5680 4.1859 4.1859 4.3900 4.3900 6.3712 6.3712 9.1045 9.1045 10.8096 10.8096 11.8511 11.8511 14.1950 14.1950 k = 0.4403 0.2542-0.0000 ( 5484 PWs) bands (ev): -38.3843 -38.3843 -38.3824 -38.3824 -4.2352 -4.2352 -3.8792 -3.8792 -0.7505 -0.7505 -0.5106 -0.5106 3.6258 3.6258 4.1675 4.1675 4.3720 4.3720 6.4497 6.4497 9.0287 9.0287 10.6816 10.6816 11.8794 11.8794 14.1632 14.1632 k = 0.4478 0.2585-0.0000 ( 5480 PWs) bands (ev): -38.3839 -38.3839 -38.3821 -38.3821 -4.1642 -4.1642 -3.8067 -3.8067 -0.8437 -0.8437 -0.6132 -0.6132 3.6789 3.6789 4.1512 4.1512 4.3560 4.3560 6.5213 6.5213 8.9640 8.9640 10.5621 10.5621 11.9055 11.9055 14.1341 14.1341 k = 0.4552 0.2628-0.0000 ( 5478 PWs) bands (ev): -38.3836 -38.3836 -38.3818 -38.3818 -4.0988 -4.0988 -3.7401 -3.7401 -0.9272 -0.9272 -0.7069 -0.7069 3.7265 3.7265 4.1370 4.1370 4.3422 4.3422 6.5850 6.5850 8.9104 8.9104 10.4524 10.4524 11.9289 11.9289 14.1080 14.1080 k = 0.4627 0.2671-0.0000 ( 5474 PWs) bands (ev): -38.3833 -38.3833 -38.3815 -38.3815 -4.0402 -4.0402 -3.6806 -3.6806 -1.0000 -1.0000 -0.7905 -0.7905 3.7681 3.7681 4.1251 4.1251 4.3304 4.3304 6.6400 6.6400 8.8678 8.8678 10.3544 10.3544 11.9494 11.9494 14.0852 14.0852 k = 0.4701 0.2714-0.0000 ( 5478 PWs) bands (ev): -38.3831 -38.3831 -38.3813 -38.3813 -3.9897 -3.9897 -3.6295 -3.6295 -1.0610 -1.0610 -0.8625 -0.8625 3.8031 3.8031 4.1152 4.1152 4.3208 4.3208 6.6856 6.6856 8.8356 8.8356 10.2700 10.2700 11.9667 11.9667 14.0660 14.0660 k = 0.4776 0.2757-0.0000 ( 5482 PWs) bands (ev): -38.3830 -38.3830 -38.3811 -38.3811 -3.9486 -3.9486 -3.5881 -3.5881 -1.1094 -1.1094 -0.9211 -0.9211 3.8310 3.8310 4.1076 4.1076 4.3133 4.3133 6.7214 6.7214 8.8126 8.8126 10.2012 10.2012 11.9805 11.9805 14.0507 14.0507 k = 0.4851 0.2801-0.0000 ( 5484 PWs) bands (ev): -38.3829 -38.3829 -38.3810 -38.3810 -3.9182 -3.9182 -3.5576 -3.5576 -1.1443 -1.1443 -0.9646 -0.9646 3.8512 3.8512 4.1021 4.1021 4.3080 4.3080 6.7471 6.7471 8.7976 8.7976 10.1502 10.1502 11.9905 11.9905 14.0397 14.0397 k = 0.4925 0.2844-0.0000 ( 5484 PWs) bands (ev): -38.3828 -38.3828 -38.3809 -38.3809 -3.8995 -3.8995 -3.5388 -3.5388 -1.1654 -1.1654 -0.9914 -0.9914 3.8635 3.8635 4.0989 4.0989 4.3048 4.3048 6.7625 6.7625 8.7893 8.7893 10.1187 10.1187 11.9965 11.9965 14.0329 14.0329 k = 0.5000 0.2887-0.0000 ( 5486 PWs) bands (ev): -38.3828 -38.3828 -38.3809 -38.3809 -3.8932 -3.8932 -3.5325 -3.5325 -1.1724 -1.1724 -1.0005 -1.0005 3.8676 3.8676 4.0978 4.0978 4.3037 4.3037 6.7676 6.7676 8.7867 8.7867 10.1081 10.1081 11.9986 11.9986 14.0307 14.0307 k = 0.5000 0.2887-0.0000 ( 5486 PWs) bands (ev): -38.3828 -38.3828 -38.3809 -38.3809 -3.8932 -3.8932 -3.5325 -3.5325 -1.1724 -1.1724 -1.0005 -1.0005 3.8676 3.8676 4.0978 4.0978 4.3037 4.3037 6.7676 6.7676 8.7867 8.7867 10.1081 10.1081 11.9986 11.9986 14.0307 14.0307 k = 0.4957 0.2961-0.0000 ( 5488 PWs) bands (ev): -38.3828 -38.3828 -38.3809 -38.3809 -3.8923 -3.8923 -3.5317 -3.5317 -1.1715 -1.1715 -0.9996 -0.9996 3.8690 3.8690 4.0925 4.0925 4.2984 4.2984 6.7683 6.7683 8.7857 8.7857 10.1083 10.1083 12.0009 12.0009 14.0366 14.0366 k = 0.4915 0.3035-0.0000 ( 5488 PWs) bands (ev): -38.3827 -38.3827 -38.3809 -38.3809 -3.8897 -3.8897 -3.5295 -3.5295 -1.1685 -1.1685 -0.9970 -0.9970 3.8730 3.8730 4.0767 4.0767 4.2823 4.2823 6.7703 6.7703 8.7827 8.7827 10.1089 10.1089 12.0079 12.0079 14.0544 14.0544 k = 0.4872 0.3109-0.0000 ( 5488 PWs) bands (ev): -38.3827 -38.3827 -38.3808 -38.3808 -3.8853 -3.8853 -3.5257 -3.5257 -1.1636 -1.1636 -0.9927 -0.9927 3.8797 3.8797 4.0505 4.0505 4.2558 4.2558 6.7737 6.7737 8.7778 8.7778 10.1100 10.1100 12.0193 12.0193 14.0836 14.0836 k = 0.4829 0.3183-0.0000 ( 5500 PWs) bands (ev): -38.3826 -38.3826 -38.3808 -38.3808 -3.8792 -3.8792 -3.5205 -3.5205 -1.1568 -1.1568 -0.9866 -0.9866 3.8891 3.8891 4.0142 4.0142 4.2190 4.2190 6.7783 6.7783 8.7709 8.7709 10.1115 10.1115 12.0351 12.0351 14.1239 14.1239 k = 0.4786 0.3257-0.0000 ( 5502 PWs) bands (ev): -38.3826 -38.3826 -38.3807 -38.3807 -3.8713 -3.8713 -3.5137 -3.5137 -1.1479 -1.1479 -0.9789 -0.9789 3.9011 3.9011 3.9681 3.9681 4.1723 4.1723 6.7842 6.7842 8.7622 8.7622 10.1132 10.1133 12.0550 12.0550 14.1748 14.1748 k = 0.4744 0.3331-0.0000 ( 5502 PWs) bands (ev): -38.3825 -38.3825 -38.3806 -38.3806 -3.8617 -3.8617 -3.5055 -3.5055 -1.1372 -1.1372 -0.9693 -0.9693 3.9124 3.9124 3.9161 3.9161 4.1161 4.1161 6.7912 6.7912 8.7516 8.7516 10.1153 10.1153 12.0788 12.0788 14.2353 14.2353 k = 0.4701 0.3405-0.0000 ( 5494 PWs) bands (ev): -38.3824 -38.3824 -38.3805 -38.3805 -3.8504 -3.8504 -3.4959 -3.4959 -1.1244 -1.1244 -0.9581 -0.9581 3.8483 3.8483 3.9333 3.9333 4.0508 4.0508 6.7992 6.7992 8.7393 8.7393 10.1176 10.1176 12.1061 12.1061 14.3045 14.3045 k = 0.4658 0.3479-0.0000 ( 5494 PWs) bands (ev): -38.3823 -38.3823 -38.3804 -38.3804 -3.8374 -3.8374 -3.4848 -3.4848 -1.1097 -1.1097 -0.9451 -0.9451 3.7755 3.7755 3.9533 3.9533 3.9770 3.9770 6.8081 6.8081 8.7254 8.7254 10.1201 10.1201 12.1367 12.1367 14.3813 14.3813 k = 0.4615 0.3553-0.0000 ( 5490 PWs) bands (ev): -38.3821 -38.3821 -38.3803 -38.3803 -3.8227 -3.8227 -3.4723 -3.4723 -1.0931 -1.0931 -0.9304 -0.9304 3.6950 3.6950 3.8952 3.8952 3.9761 3.9761 6.8178 6.8178 8.7100 8.7100 10.1226 10.1226 12.1703 12.1703 14.4644 14.4644 k = 0.4573 0.3627-0.0000 ( 5486 PWs) bands (ev): -38.3820 -38.3820 -38.3802 -38.3802 -3.8064 -3.8064 -3.4584 -3.4584 -1.0745 -1.0745 -0.9140 -0.9140 3.6073 3.6073 3.8060 3.8060 4.0015 4.0015 6.8281 6.8281 8.6933 8.6933 10.1250 10.1250 12.2066 12.2066 14.5521 14.5521 k = 0.4530 0.3701-0.0000 ( 5492 PWs) bands (ev): -38.3818 -38.3818 -38.3800 -38.3800 -3.7884 -3.7884 -3.4432 -3.4432 -1.0540 -1.0540 -0.8959 -0.8959 3.5130 3.5130 3.7101 3.7101 4.0295 4.0295 6.8387 6.8387 8.6754 8.6754 10.1272 10.1272 12.2453 12.2453 14.6427 14.6427 k = 0.4487 0.3775-0.0000 ( 5496 PWs) bands (ev): -38.3817 -38.3817 -38.3799 -38.3799 -3.7687 -3.7687 -3.4267 -3.4267 -1.0315 -1.0315 -0.8760 -0.8760 3.4127 3.4127 3.6079 3.6079 4.0603 4.0603 6.8495 6.8495 8.6567 8.6567 10.1292 10.1292 12.2863 12.2863 14.7342 14.7342 k = 0.4444 0.3849-0.0000 ( 5488 PWs) bands (ev): -38.3815 -38.3815 -38.3797 -38.3797 -3.7475 -3.7475 -3.4089 -3.4089 -1.0071 -1.0071 -0.8545 -0.8545 3.3071 3.3071 3.5001 3.5001 4.0936 4.0936 6.8600 6.8600 8.6374 8.6374 10.1306 10.1306 12.3293 12.3293 14.8243 14.8243 k = 0.4402 0.3923-0.0000 ( 5488 PWs) bands (ev): -38.3813 -38.3813 -38.3795 -38.3795 -3.7247 -3.7247 -3.3900 -3.3900 -0.9808 -0.9808 -0.8312 -0.8312 3.1967 3.1967 3.3873 3.3873 4.1296 4.1296 6.8699 6.8699 8.6179 8.6179 10.1314 10.1314 12.3741 12.3741 14.9106 14.9106 k = 0.4359 0.3997-0.0000 ( 5486 PWs) bands (ev): -38.3811 -38.3811 -38.3793 -38.3793 -3.7004 -3.7004 -3.3698 -3.3698 -0.9526 -0.9526 -0.8063 -0.8063 3.0822 3.0822 3.2700 3.2700 4.1683 4.1683 6.8789 6.8789 8.5985 8.5985 10.1314 10.1314 12.4208 12.4208 14.9904 14.9904 k = 0.4316 0.4071-0.0000 ( 5494 PWs) bands (ev): -38.3809 -38.3809 -38.3791 -38.3791 -3.6747 -3.6747 -3.3486 -3.3486 -0.9224 -0.9224 -0.7797 -0.7797 2.9640 2.9640 3.1488 3.1488 4.2095 4.2095 6.8864 6.8864 8.5797 8.5797 10.1303 10.1303 12.4690 12.4690 15.0613 15.0613 k = 0.4274 0.4145-0.0000 ( 5488 PWs) bands (ev): -38.3807 -38.3807 -38.3789 -38.3789 -3.6474 -3.6474 -3.3264 -3.3264 -0.8903 -0.8903 -0.7514 -0.7514 2.8428 2.8428 3.0242 3.0242 4.2534 4.2534 6.8921 6.8921 8.5621 8.5621 10.1280 10.1280 12.5189 12.5189 15.1207 15.1207 k = 0.4231 0.4219-0.0000 ( 5492 PWs) bands (ev): -38.3805 -38.3805 -38.3787 -38.3787 -3.6189 -3.6189 -3.3032 -3.3032 -0.8564 -0.8564 -0.7214 -0.7214 2.7192 2.7192 2.8967 2.8967 4.2999 4.2999 6.8952 6.8952 8.5461 8.5461 10.1243 10.1243 12.5703 12.5703 15.1668 15.1668 k = 0.4188 0.4293-0.0000 ( 5488 PWs) bands (ev): -38.3803 -38.3803 -38.3785 -38.3785 -3.5889 -3.5889 -3.2792 -3.2792 -0.8205 -0.8205 -0.6898 -0.6898 2.5935 2.5935 2.7667 2.7667 4.3490 4.3490 6.8953 6.8953 8.5325 8.5325 10.1188 10.1188 12.6233 12.6233 15.1982 15.1982 k = 0.4145 0.4367-0.0000 ( 5488 PWs) bands (ev): -38.3801 -38.3801 -38.3783 -38.3783 -3.5578 -3.5578 -3.2545 -3.2545 -0.7828 -0.7828 -0.6566 -0.6566 2.4665 2.4665 2.6348 2.6348 4.4007 4.4007 6.8917 6.8917 8.5219 8.5219 10.1113 10.1113 12.6777 12.6777 15.2145 15.2145 k = 0.4103 0.4441-0.0000 ( 5492 PWs) bands (ev): -38.3799 -38.3799 -38.3781 -38.3781 -3.5255 -3.5255 -3.2291 -3.2291 -0.7432 -0.7432 -0.6217 -0.6217 2.3385 2.3385 2.5013 2.5013 4.4549 4.4549 6.8837 6.8837 8.5149 8.5149 10.1015 10.1015 12.7336 12.7336 15.2160 15.2160 k = 0.4060 0.4515-0.0000 ( 5484 PWs) bands (ev): -38.3797 -38.3797 -38.3779 -38.3779 -3.4920 -3.4920 -3.2033 -3.2033 -0.7018 -0.7018 -0.5852 -0.5852 2.2100 2.2100 2.3668 2.3668 4.5117 4.5117 6.8709 6.8709 8.5121 8.5121 10.0892 10.0892 12.7910 12.7910 15.2035 15.2035 k = 0.4017 0.4589-0.0000 ( 5484 PWs) bands (ev): -38.3795 -38.3795 -38.3777 -38.3777 -3.4576 -3.4576 -3.1771 -3.1771 -0.6586 -0.6586 -0.5472 -0.5472 2.0816 2.0816 2.2316 2.2316 4.5710 4.5710 6.8528 6.8528 8.5141 8.5141 10.0740 10.0740 12.8500 12.8500 15.1783 15.1783 k = 0.3974 0.4663-0.0000 ( 5480 PWs) bands (ev): -38.3793 -38.3793 -38.3774 -38.3774 -3.4224 -3.4224 -3.1508 -3.1508 -0.6135 -0.6135 -0.5077 -0.5077 1.9537 1.9537 2.0961 2.0961 4.6329 4.6329 6.8289 6.8289 8.5213 8.5213 10.0557 10.0557 12.9105 12.9105 15.1419 15.1419 k = 0.3932 0.4737-0.0000 ( 5472 PWs) bands (ev): -38.3790 -38.3790 -38.3772 -38.3772 -3.3864 -3.3864 -3.1245 -3.1245 -0.5667 -0.5667 -0.4667 -0.4667 1.8269 1.8269 1.9608 1.9608 4.6972 4.6972 6.7989 6.7989 8.5342 8.5342 10.0340 10.0340 12.9725 12.9725 15.0959 15.0959 k = 0.3889 0.4811-0.0000 ( 5472 PWs) bands (ev): -38.3788 -38.3788 -38.3770 -38.3770 -3.3497 -3.3497 -3.0985 -3.0985 -0.5181 -0.5181 -0.4242 -0.4242 1.7016 1.7016 1.8260 1.8260 4.7640 4.7640 6.7628 6.7628 8.5529 8.5529 10.0086 10.0086 13.0361 13.0361 15.0418 15.0418 k = 0.3846 0.4885-0.0000 ( 5464 PWs) bands (ev): -38.3786 -38.3786 -38.3769 -38.3769 -3.3127 -3.3127 -3.0729 -3.0729 -0.4679 -0.4679 -0.3804 -0.3804 1.5785 1.5785 1.6923 1.6923 4.8333 4.8333 6.7206 6.7206 8.5776 8.5776 9.9793 9.9793 13.1013 13.1013 14.9808 14.9808 k = 0.3803 0.4959-0.0000 ( 5468 PWs) bands (ev): -38.3784 -38.3784 -38.3767 -38.3767 -3.2754 -3.2754 -3.0481 -3.0481 -0.4160 -0.4160 -0.3354 -0.3354 1.4580 1.4580 1.5600 1.5600 4.9049 4.9049 6.6722 6.6722 8.6081 8.6081 9.9457 9.9457 13.1682 13.1682 14.9143 14.9143 k = 0.3761 0.5033-0.0000 ( 5472 PWs) bands (ev): -38.3783 -38.3783 -38.3765 -38.3765 -3.2381 -3.2381 -3.0245 -3.0245 -0.3626 -0.3626 -0.2892 -0.2892 1.3408 1.3408 1.4295 1.4295 4.9790 4.9790 6.6181 6.6181 8.6445 8.6445 9.9077 9.9077 13.2367 13.2367 14.8430 14.8430 k = 0.3718 0.5107-0.0000 ( 5466 PWs) bands (ev): -38.3781 -38.3781 -38.3763 -38.3763 -3.2010 -3.2010 -3.0022 -3.0022 -0.3078 -0.3078 -0.2420 -0.2420 1.2275 1.2275 1.3016 1.3016 5.0553 5.0553 6.5584 6.5584 8.6865 8.6865 9.8652 9.8652 13.3068 13.3068 14.7681 14.7681 k = 0.3675 0.5181-0.0000 ( 5466 PWs) bands (ev): -38.3779 -38.3779 -38.3762 -38.3762 -3.1644 -3.1644 -2.9817 -2.9817 -0.2516 -0.2516 -0.1942 -0.1942 1.1191 1.1191 1.1766 1.1766 5.1339 5.1339 6.4936 6.4936 8.7338 8.7338 9.8179 9.8179 13.3787 13.3787 14.6901 14.6901 k = 0.3632 0.5255-0.0000 ( 5468 PWs) bands (ev): -38.3778 -38.3778 -38.3760 -38.3760 -3.1287 -3.1287 -2.9635 -2.9635 -0.1945 -0.1945 -0.1460 -0.1460 1.0163 1.0163 1.0554 1.0554 5.2147 5.2147 6.4240 6.4240 8.7863 8.7863 9.7659 9.7659 13.4522 13.4522 14.6097 14.6097 k = 0.3590 0.5329-0.0000 ( 5480 PWs) bands (ev): -38.3777 -38.3777 -38.3759 -38.3759 -3.0941 -3.0941 -2.9479 -2.9479 -0.1366 -0.1366 -0.0979 -0.0979 0.9203 0.9203 0.9388 0.9388 5.2977 5.2977 6.3500 6.3500 8.8436 8.8436 9.7091 9.7091 13.5274 13.5274 14.5274 14.5274 k = 0.3547 0.5403-0.0000 ( 5476 PWs) bands (ev): -38.3775 -38.3775 -38.3758 -38.3758 -3.0612 -3.0612 -2.9356 -2.9356 -0.0787 -0.0787 -0.0506 -0.0506 0.8278 0.8278 0.8324 0.8324 5.3827 5.3827 6.2720 6.2720 8.9056 8.9056 9.6476 9.6476 13.6043 13.6043 14.4436 14.4436 k = 0.3504 0.5477-0.0000 ( 5476 PWs) bands (ev): -38.3774 -38.3774 -38.3757 -38.3757 -3.0304 -3.0304 -2.9269 -2.9269 -0.0220 -0.0220 -0.0054 -0.0054 0.7244 0.7244 0.7543 0.7543 5.4697 5.4697 6.1903 6.1903 8.9719 8.9719 9.5815 9.5815 13.6830 13.6830 14.3588 14.3588 k = 0.3462 0.5551-0.0000 ( 5476 PWs) bands (ev): -38.3774 -38.3774 -38.3756 -38.3756 -3.0022 -3.0022 -2.9224 -2.9224 0.0315 0.0315 0.0362 0.0362 0.6311 0.6311 0.6885 0.6885 5.5585 5.5585 6.1054 6.1054 9.0423 9.0423 9.5109 9.5109 13.7633 13.7633 14.2732 14.2732 k = 0.3419 0.5625-0.0000 ( 5480 PWs) bands (ev): -38.3773 -38.3773 -38.3756 -38.3756 -2.9771 -2.9771 -2.9226 -2.9226 0.0713 0.0713 0.0780 0.0780 0.5529 0.5529 0.6378 0.6378 5.6490 5.6490 6.0175 6.0175 9.1166 9.1166 9.4363 9.4363 13.8454 13.8454 14.1872 14.1872 k = 0.3376 0.5699-0.0000 ( 5494 PWs) bands (ev): -38.3773 -38.3773 -38.3755 -38.3755 -2.9560 -2.9560 -2.9281 -2.9281 0.0979 0.0979 0.1086 0.1086 0.4984 0.4984 0.6057 0.6057 5.7410 5.7410 5.9271 5.9271 9.1946 9.1946 9.3579 9.3579 13.9291 13.9291 14.1009 14.1009 k = 0.3333 0.5774-0.0000 ( 5502 PWs) bands (ev): -38.3773 -38.3773 -38.3755 -38.3755 -2.9396 -2.9396 -2.9390 -2.9390 0.1124 0.1124 0.1145 0.1145 0.4788 0.4788 0.5948 0.5948 5.8343 5.8343 5.8343 5.8343 9.2761 9.2761 9.2761 9.2761 14.0139 14.0139 14.0152 14.0152 k = 0.3333 0.5774-0.0000 ( 5502 PWs) bands (ev): -38.3773 -38.3773 -38.3755 -38.3755 -2.9396 -2.9396 -2.9390 -2.9390 0.1124 0.1124 0.1145 0.1145 0.4788 0.4788 0.5948 0.5948 5.8343 5.8343 5.8343 5.8343 9.2761 9.2761 9.2761 9.2761 14.0139 14.0139 14.0152 14.0152 k = 0.3290 0.5699-0.0000 ( 5502 PWs) bands (ev): -38.3773 -38.3773 -38.3755 -38.3755 -2.9569 -2.9569 -2.9277 -2.9277 0.0905 0.0905 0.1184 0.1184 0.4969 0.4969 0.6054 0.6054 5.7382 5.7382 5.9298 5.9298 9.1905 9.1905 9.3622 9.3622 13.9273 13.9273 14.1028 14.1028 k = 0.3247 0.5624-0.0000 ( 5494 PWs) bands (ev): -38.3773 -38.3773 -38.3756 -38.3756 -2.9810 -2.9810 -2.9222 -2.9222 0.0514 0.0514 0.1159 0.1159 0.5421 0.5421 0.6348 0.6348 5.6404 5.6404 6.0259 6.0259 9.1026 9.1026 9.4515 9.4515 13.8402 13.8402 14.1928 14.1928 k = 0.3203 0.5549-0.0000 ( 5490 PWs) bands (ev): -38.3774 -38.3774 -38.3756 -38.3756 -3.0119 -3.0119 -2.9233 -2.9233 0.0083 0.0083 0.1108 0.1108 0.6026 0.6026 0.6784 0.6784 5.5410 5.5410 6.1223 6.1223 9.0133 9.0133 9.5440 9.5440 13.7537 13.7537 14.2844 14.2844 k = 0.3160 0.5474-0.0000 ( 5486 PWs) bands (ev): -38.3775 -38.3775 -38.3757 -38.3757 -3.0497 -3.0497 -2.9318 -2.9318 -0.0313 -0.0313 0.1071 0.1071 0.6720 0.6720 0.7321 0.7321 5.4403 5.4403 6.2181 6.2181 8.9234 8.9234 9.6395 9.6395 13.6676 13.6676 14.3777 14.3777 k = 0.3117 0.5399-0.0000 ( 5488 PWs) bands (ev): -38.3776 -38.3776 -38.3759 -38.3759 -3.0942 -3.0942 -2.9480 -2.9480 -0.0639 -0.0639 0.1078 0.1078 0.7470 0.7470 0.7932 0.7932 5.3384 5.3384 6.3127 6.3127 8.8343 8.8343 9.7380 9.7380 13.5823 13.5823 14.4726 14.4726 k = 0.3074 0.5324-0.0000 ( 5488 PWs) bands (ev): -38.3778 -38.3778 -38.3760 -38.3760 -3.1453 -3.1453 -2.9723 -2.9723 -0.0875 -0.0875 0.1146 0.1146 0.8259 0.8259 0.8597 0.8597 5.2357 5.2357 6.4050 6.4050 8.7471 8.7471 9.8392 9.8392 13.4977 13.4977 14.5690 14.5690 k = 0.3030 0.5249-0.0000 ( 5484 PWs) bands (ev): -38.3779 -38.3779 -38.3762 -38.3762 -3.2026 -3.2026 -3.0047 -3.0047 -0.1011 -0.1011 0.1282 0.1282 0.9080 0.9080 0.9304 0.9304 5.1322 5.1322 6.4935 6.4935 8.6638 8.6638 9.9432 9.9432 13.4139 13.4139 14.6670 14.6670 k = 0.2987 0.5174-0.0000 ( 5484 PWs) bands (ev): -38.3782 -38.3782 -38.3764 -38.3764 -3.2657 -3.2657 -3.0452 -3.0452 -0.1043 -0.1043 0.1492 0.1492 0.9926 0.9926 1.0046 1.0046 5.0282 5.0282 6.5763 6.5763 8.5865 8.5865 10.0499 10.0499 13.3310 13.3310 14.7664 14.7664 k = 0.2944 0.5099-0.0000 ( 5494 PWs) bands (ev): -38.3784 -38.3784 -38.3766 -38.3766 -3.3342 -3.3342 -3.0934 -3.0934 -0.0971 -0.0971 0.1776 0.1776 1.0795 1.0795 1.0817 1.0817 4.9238 4.9238 6.6511 6.6511 8.5179 8.5179 10.1590 10.1590 13.2490 13.2490 14.8672 14.8672 k = 0.2900 0.5024-0.0000 ( 5502 PWs) bands (ev): -38.3787 -38.3787 -38.3769 -38.3769 -3.4074 -3.4074 -3.1488 -3.1488 -0.0796 -0.0796 0.2132 0.2132 1.1613 1.1613 1.1684 1.1684 4.8192 4.8192 6.7148 6.7148 8.4613 8.4613 10.2707 10.2707 13.1681 13.1681 14.9693 14.9693 k = 0.2857 0.4949-0.0000 ( 5512 PWs) bands (ev): -38.3790 -38.3790 -38.3772 -38.3772 -3.4848 -3.4848 -3.2110 -3.2110 -0.0525 -0.0525 0.2558 0.2558 1.2433 1.2433 1.2593 1.2593 4.7145 4.7145 6.7642 6.7642 8.4203 8.4203 10.3847 10.3847 13.0882 13.0882 15.0726 15.0726 k = 0.2814 0.4874-0.0000 ( 5516 PWs) bands (ev): -38.3793 -38.3793 -38.3775 -38.3775 -3.5660 -3.5660 -3.2791 -3.2791 -0.0161 -0.0161 0.3049 0.3049 1.3273 1.3273 1.3520 1.3520 4.6098 4.6098 6.7956 6.7956 8.3987 8.3987 10.5010 10.5010 13.0094 13.0094 15.1771 15.1771 k = 0.2771 0.4799-0.0000 ( 5516 PWs) bands (ev): -38.3797 -38.3797 -38.3779 -38.3779 -3.6504 -3.6504 -3.3526 -3.3526 0.0288 0.0288 0.3602 0.3602 1.4134 1.4134 1.4463 1.4463 4.5053 4.5053 6.8066 6.8066 8.3993 8.3993 10.6195 10.6195 12.9317 12.9317 15.2825 15.2825 k = 0.2727 0.4724-0.0000 ( 5512 PWs) bands (ev): -38.3801 -38.3801 -38.3783 -38.3783 -3.7374 -3.7374 -3.4307 -3.4307 0.0817 0.0817 0.4213 0.4213 1.5013 1.5013 1.5423 1.5423 4.4011 4.4011 6.7960 6.7960 8.4235 8.4235 10.7402 10.7402 12.8552 12.8552 15.3888 15.3888 k = 0.2684 0.4649-0.0000 ( 5504 PWs) bands (ev): -38.3806 -38.3806 -38.3787 -38.3787 -3.8266 -3.8266 -3.5127 -3.5127 0.1418 0.1418 0.4879 0.4879 1.5909 1.5909 1.6398 1.6398 4.2973 4.2973 6.7646 6.7646 8.4706 8.4706 10.8630 10.8630 12.7798 12.7798 15.4959 15.4959 k = 0.2641 0.4574-0.0000 ( 5508 PWs) bands (ev): -38.3810 -38.3810 -38.3792 -38.3792 -3.9176 -3.9176 -3.5979 -3.5979 0.2086 0.2086 0.5594 0.5594 1.6823 1.6823 1.7388 1.7388 4.1941 4.1941 6.7148 6.7148 8.5386 8.5386 10.9877 10.9877 12.7057 12.7057 15.6035 15.6035 k = 0.2597 0.4499-0.0000 ( 5500 PWs) bands (ev): -38.3815 -38.3815 -38.3797 -38.3797 -4.0100 -4.0100 -3.6859 -3.6859 0.2815 0.2815 0.6357 0.6357 1.7753 1.7753 1.8392 1.8392 4.0914 4.0914 6.6496 6.6496 8.6244 8.6244 11.1145 11.1145 12.6327 12.6327 15.7114 15.7114 k = 0.2554 0.4424-0.0000 ( 5496 PWs) bands (ev): -38.3821 -38.3821 -38.3802 -38.3802 -4.1034 -4.1034 -3.7760 -3.7760 0.3600 0.3600 0.7164 0.7164 1.8698 1.8698 1.9410 1.9410 3.9894 3.9894 6.5723 6.5723 8.7251 8.7251 11.2430 11.2430 12.5610 12.5610 15.8195 15.8195 k = 0.2511 0.4349-0.0000 ( 5496 PWs) bands (ev): -38.3826 -38.3826 -38.3808 -38.3808 -4.1976 -4.1976 -3.8678 -3.8678 0.4437 0.4437 0.8012 0.8012 1.9658 1.9658 2.0442 2.0442 3.8881 3.8881 6.4857 6.4857 8.8380 8.8380 11.3734 11.3734 12.4906 12.4906 15.9274 15.9274 k = 0.2468 0.4274-0.0000 ( 5492 PWs) bands (ev): -38.3832 -38.3832 -38.3814 -38.3814 -4.2921 -4.2921 -3.9608 -3.9608 0.5321 0.5321 0.8898 0.8898 2.0633 2.0633 2.1486 2.1486 3.7877 3.7877 6.3921 6.3921 8.9609 8.9609 11.5054 11.5054 12.4214 12.4214 16.0348 16.0348 k = 0.2424 0.4199-0.0000 ( 5492 PWs) bands (ev): -38.3839 -38.3839 -38.3820 -38.3820 -4.3869 -4.3869 -4.0547 -4.0547 0.6248 0.6248 0.9820 0.9820 2.1622 2.1622 2.2542 2.2542 3.6883 3.6883 6.2933 6.2933 9.0921 9.0921 11.6391 11.6391 12.3535 12.3535 16.1415 16.1415 k = 0.2381 0.4124-0.0000 ( 5494 PWs) bands (ev): -38.3845 -38.3845 -38.3827 -38.3827 -4.4816 -4.4816 -4.1491 -4.1491 0.7216 0.7216 1.0775 1.0775 2.2624 2.2624 2.3609 2.3609 3.5898 3.5898 6.1907 6.1907 9.2302 9.2302 11.7742 11.7742 12.2868 12.2868 16.2469 16.2469 k = 0.2338 0.4049-0.0000 ( 5490 PWs) bands (ev): -38.3852 -38.3852 -38.3834 -38.3834 -4.5761 -4.5761 -4.2438 -4.2438 0.8221 0.8221 1.1763 1.1763 2.3639 2.3639 2.4688 2.4688 3.4924 3.4924 6.0856 6.0856 9.3744 9.3744 11.9108 11.9108 12.2214 12.2214 16.3505 16.3505 k = 0.2294 0.3974-0.0000 ( 5490 PWs) bands (ev): -38.3860 -38.3860 -38.3841 -38.3841 -4.6701 -4.6701 -4.3384 -4.3384 0.9260 0.9260 1.2780 1.2780 2.4667 2.4667 2.5776 2.5776 3.3961 3.3961 5.9786 5.9786 9.5236 9.5236 12.0488 12.0488 12.1574 12.1574 16.4519 16.4519 k = 0.2251 0.3899-0.0000 ( 5486 PWs) bands (ev): -38.3867 -38.3867 -38.3848 -38.3848 -4.7636 -4.7636 -4.4328 -4.4328 1.0332 1.0332 1.3826 1.3826 2.5706 2.5706 2.6875 2.6875 3.3010 3.3010 5.8706 5.8706 9.6775 9.6775 12.0946 12.0946 12.1879 12.1879 16.5501 16.5501 k = 0.2208 0.3824-0.0000 ( 5482 PWs) bands (ev): -38.3875 -38.3875 -38.3856 -38.3856 -4.8563 -4.8563 -4.5268 -4.5268 1.1434 1.1434 1.4898 1.4898 2.6756 2.6756 2.7982 2.7982 3.2071 3.2071 5.7620 5.7620 9.8355 9.8355 12.0331 12.0331 12.3282 12.3282 16.6444 16.6444 k = 0.2165 0.3749-0.0000 ( 5470 PWs) bands (ev): -38.3883 -38.3883 -38.3864 -38.3864 -4.9482 -4.9482 -4.6202 -4.6202 1.2565 1.2565 1.5995 1.5995 2.7818 2.7818 2.9098 2.9098 3.1144 3.1144 5.6532 5.6532 9.9971 9.9971 11.9729 11.9729 12.4695 12.4695 16.7336 16.7336 k = 0.2121 0.3674-0.0000 ( 5466 PWs) bands (ev): -38.3892 -38.3892 -38.3872 -38.3872 -5.0391 -5.0391 -4.7128 -4.7128 1.3722 1.3722 1.7117 1.7117 2.8889 2.8889 3.0220 3.0220 3.0233 3.0233 5.5447 5.5447 10.1622 10.1622 11.9140 11.9140 12.6118 12.6118 16.8158 16.8158 k = 0.2078 0.3599-0.0000 ( 5474 PWs) bands (ev): -38.3900 -38.3900 -38.3881 -38.3881 -5.1289 -5.1289 -4.8045 -4.8045 1.4905 1.4905 1.8261 1.8261 2.9332 2.9332 2.9970 2.9970 3.1352 3.1352 5.4367 5.4367 10.3304 10.3304 11.8565 11.8565 12.7547 12.7547 16.8888 16.8888 k = 0.2035 0.3524-0.0000 ( 5476 PWs) bands (ev): -38.3909 -38.3909 -38.3889 -38.3889 -5.2176 -5.2176 -4.8952 -4.8952 1.6111 1.6111 1.9427 1.9427 2.8447 2.8447 3.1060 3.1060 3.2488 3.2488 5.3295 5.3295 10.5015 10.5015 11.8003 11.8003 12.8983 12.8983 16.9486 16.9486 k = 0.1991 0.3449-0.0000 ( 5480 PWs) bands (ev): -38.3918 -38.3918 -38.3898 -38.3898 -5.3050 -5.3050 -4.9848 -4.9848 1.7339 1.7339 2.0613 2.0613 2.7576 2.7576 3.2157 3.2157 3.3630 3.3630 5.2233 5.2233 10.6753 10.6753 11.7453 11.7453 13.0424 13.0424 16.9891 16.9891 k = 0.1948 0.3374-0.0000 ( 5470 PWs) bands (ev): -38.3928 -38.3928 -38.3908 -38.3908 -5.3911 -5.3911 -5.0731 -5.0731 1.8589 1.8589 2.1819 2.1819 2.6720 2.6720 3.3263 3.3263 3.4777 3.4777 5.1182 5.1182 10.8517 10.8517 11.6917 11.6917 13.1869 13.1869 17.0030 17.0030 k = 0.1905 0.3299-0.0000 ( 5473 PWs) bands (ev): -38.3937 -38.3937 -38.3917 -38.3917 -5.4759 -5.4759 -5.1602 -5.1602 1.9858 1.9858 2.3043 2.3043 2.5880 2.5880 3.4374 3.4374 3.5927 3.5927 5.0144 5.0144 11.0304 11.0304 11.6395 11.6395 13.3315 13.3315 16.9882 16.9882 k = 0.1861 0.3224-0.0000 ( 5475 PWs) bands (ev): -38.3947 -38.3947 -38.3927 -38.3927 -5.5591 -5.5591 -5.2458 -5.2458 2.1146 2.1146 2.4284 2.4284 2.5055 2.5055 3.5492 3.5492 3.7080 3.7080 4.9120 4.9120 11.2114 11.2114 11.5886 11.5886 13.4760 13.4760 16.9516 16.9516 k = 0.1818 0.3149-0.0000 ( 5469 PWs) bands (ev): -38.3957 -38.3957 -38.3936 -38.3936 -5.6409 -5.6409 -5.3300 -5.3300 2.2452 2.2452 2.4246 2.4246 2.5541 2.5541 3.6614 3.6614 3.8234 3.8234 4.8112 4.8112 11.3944 11.3944 11.5390 11.5390 13.6204 13.6204 16.9026 16.9026 k = 0.1775 0.3074-0.0000 ( 5467 PWs) bands (ev): -38.3967 -38.3967 -38.3946 -38.3946 -5.7211 -5.7211 -5.4127 -5.4127 2.3452 2.3452 2.3775 2.3775 2.6814 2.6814 3.7741 3.7741 3.9389 3.9389 4.7120 4.7120 11.4908 11.4908 11.5794 11.5794 13.7644 13.7644 16.8476 16.8476 k = 0.1732 0.2999-0.0000 ( 5475 PWs) bands (ev): -38.3977 -38.3977 -38.3956 -38.3956 -5.7998 -5.7998 -5.4938 -5.4938 2.2676 2.2676 2.5112 2.5112 2.8101 2.8101 3.8871 3.8871 4.0544 4.0544 4.6146 4.6146 11.4439 11.4439 11.7662 11.7662 13.9078 13.9078 16.7903 16.7903 k = 0.1688 0.2924-0.0000 ( 5471 PWs) bands (ev): -38.3987 -38.3987 -38.3966 -38.3966 -5.8768 -5.8768 -5.5733 -5.5733 2.1916 2.1916 2.6464 2.6464 2.9402 2.9402 4.0003 4.0003 4.1698 4.1698 4.5190 4.5190 11.3985 11.3985 11.9547 11.9547 14.0504 14.0504 16.7328 16.7328 k = 0.1645 0.2849-0.0000 ( 5475 PWs) bands (ev): -38.3998 -38.3998 -38.3976 -38.3976 -5.9521 -5.9521 -5.6512 -5.6512 2.1173 2.1173 2.7830 2.7830 3.0715 3.0715 4.1135 4.1135 4.2849 4.2849 4.4252 4.4252 11.3544 11.3544 12.1446 12.1446 14.1918 14.1918 16.6759 16.6759 k = 0.1602 0.2774-0.0000 ( 5475 PWs) bands (ev): -38.4008 -38.4008 -38.3987 -38.3987 -6.0257 -6.0257 -5.7273 -5.7273 2.0447 2.0447 2.9207 2.9207 3.2039 3.2039 4.2268 4.2268 4.3334 4.3334 4.3996 4.3996 11.3116 11.3116 12.3359 12.3359 14.3319 14.3319 16.6206 16.6206 k = 0.1558 0.2699-0.0000 ( 5479 PWs) bands (ev): -38.4018 -38.4018 -38.3997 -38.3997 -6.0976 -6.0976 -5.8017 -5.8017 1.9738 1.9738 3.0596 3.0596 3.3374 3.3374 4.2437 4.2437 4.3400 4.3400 4.5139 4.5139 11.2703 11.2703 12.5285 12.5285 14.4704 14.4704 16.5671 16.5671 k = 0.1515 0.2624-0.0000 ( 5499 PWs) bands (ev): -38.4029 -38.4029 -38.4008 -38.4008 -6.1677 -6.1677 -5.8744 -5.8744 1.9047 1.9047 3.1995 3.1995 3.4717 3.4717 4.1560 4.1560 4.4529 4.4529 4.6275 4.6275 11.2304 11.2304 12.7220 12.7220 14.6070 14.6070 16.5157 16.5157 k = 0.1472 0.2549-0.0000 ( 5499 PWs) bands (ev): -38.4040 -38.4040 -38.4018 -38.4018 -6.2361 -6.2361 -5.9452 -5.9452 1.8373 1.8373 3.3402 3.3402 3.6068 3.6068 4.0704 4.0704 4.5654 4.5654 4.7404 4.7404 11.1919 11.1919 12.9165 12.9165 14.7414 14.7414 16.4667 16.4667 k = 0.1429 0.2474-0.0000 ( 5499 PWs) bands (ev): -38.4050 -38.4050 -38.4028 -38.4028 -6.3026 -6.3026 -6.0142 -6.0142 1.7718 1.7718 3.4817 3.4817 3.7427 3.7427 3.9869 3.9869 4.6774 4.6774 4.8524 4.8524 11.1548 11.1548 13.1116 13.1116 14.8732 14.8732 16.4202 16.4202 k = 0.1385 0.2399-0.0000 ( 5491 PWs) bands (ev): -38.4060 -38.4060 -38.4039 -38.4039 -6.3673 -6.3673 -6.0813 -6.0813 1.7081 1.7081 3.6239 3.6239 3.8790 3.8790 3.9057 3.9057 4.7888 4.7888 4.9633 4.9633 11.1192 11.1192 13.3071 13.3071 15.0022 15.0022 16.3764 16.3764 k = 0.1342 0.2324-0.0000 ( 5507 PWs) bands (ev): -38.4071 -38.4071 -38.4049 -38.4049 -6.4302 -6.4302 -6.1465 -6.1465 1.6461 1.6461 3.7665 3.7665 3.8267 3.8267 4.0158 4.0158 4.8994 4.8994 5.0731 5.0731 11.0850 11.0850 13.5030 13.5030 15.1280 15.1280 16.3352 16.3352 k = 0.1299 0.2249-0.0000 ( 5511 PWs) bands (ev): -38.4081 -38.4081 -38.4059 -38.4059 -6.4911 -6.4911 -6.2098 -6.2098 1.5861 1.5861 3.7499 3.7499 3.9094 3.9094 4.1528 4.1528 5.0090 5.0090 5.1816 5.1816 11.0523 11.0523 13.6988 13.6988 15.2503 15.2503 16.2969 16.2969 k = 0.1255 0.2174-0.0000 ( 5519 PWs) bands (ev): -38.4092 -38.4092 -38.4069 -38.4069 -6.5502 -6.5502 -6.2712 -6.2712 1.5278 1.5278 3.6755 3.6755 4.0525 4.0525 4.2900 4.2900 5.1175 5.1175 5.2887 5.2887 11.0210 11.0210 13.8944 13.8944 15.3687 15.3687 16.2614 16.2614 k = 0.1212 0.2099-0.0000 ( 5515 PWs) bands (ev): -38.4102 -38.4102 -38.4079 -38.4079 -6.6074 -6.6074 -6.3307 -6.3307 1.4715 1.4715 3.6033 3.6033 4.1957 4.1957 4.4271 4.4271 5.2247 5.2247 5.3941 5.3941 10.9912 10.9912 14.0895 14.0895 15.4829 15.4829 16.2288 16.2288 k = 0.1169 0.2024-0.0000 ( 5511 PWs) bands (ev): -38.4112 -38.4112 -38.4089 -38.4089 -6.6627 -6.6627 -6.3881 -6.3881 1.4170 1.4170 3.5335 3.5335 4.3386 4.3386 4.5639 4.5639 5.3304 5.3304 5.4977 5.4977 10.9629 10.9629 14.2838 14.2838 15.5927 15.5927 16.1992 16.1992 k = 0.1126 0.1949-0.0000 ( 5519 PWs) bands (ev): -38.4122 -38.4122 -38.4099 -38.4099 -6.7160 -6.7160 -6.4436 -6.4436 1.3644 1.3644 3.4661 3.4661 4.4812 4.4812 4.7004 4.7004 5.4345 5.4345 5.5994 5.5994 10.9360 10.9360 14.4769 14.4769 15.6977 15.6977 16.1725 16.1725 k = 0.1082 0.1875-0.0000 ( 5523 PWs) bands (ev): -38.4131 -38.4131 -38.4108 -38.4108 -6.7674 -6.7674 -6.4972 -6.4972 1.3137 1.3137 3.4011 3.4011 4.6233 4.6233 4.8362 4.8362 5.5368 5.5368 5.6990 5.6990 10.9106 10.9106 14.6685 14.6685 15.7976 15.7976 16.1487 16.1487 k = 0.1039 0.1800-0.0000 ( 5521 PWs) bands (ev): -38.4141 -38.4141 -38.4118 -38.4118 -6.8169 -6.8169 -6.5487 -6.5487 1.2650 1.2650 3.3385 3.3385 4.7645 4.7645 4.9713 4.9713 5.6371 5.6371 5.7963 5.7963 10.8867 10.8867 14.8583 14.8583 15.8924 15.8924 16.1279 16.1279 k = 0.0996 0.1725-0.0000 ( 5521 PWs) bands (ev): -38.4150 -38.4150 -38.4127 -38.4127 -6.8644 -6.8644 -6.5981 -6.5981 1.2181 1.2181 3.2783 3.2783 4.9047 4.9047 5.1052 5.1052 5.7352 5.7352 5.8912 5.8912 10.8642 10.8642 15.0458 15.0458 15.9817 15.9817 16.1100 16.1100 k = 0.0952 0.1650-0.0000 ( 5521 PWs) bands (ev): -38.4159 -38.4159 -38.4136 -38.4136 -6.9099 -6.9099 -6.6456 -6.6456 1.1732 1.1732 3.2206 3.2206 5.0437 5.0437 5.2379 5.2379 5.8308 5.8308 5.9835 5.9835 10.8432 10.8432 15.2305 15.2305 16.0655 16.0655 16.0950 16.0950 k = 0.0909 0.1575-0.0000 ( 5525 PWs) bands (ev): -38.4168 -38.4168 -38.4145 -38.4145 -6.9535 -6.9535 -6.6910 -6.6910 1.1302 1.1302 3.1653 3.1653 5.1810 5.1810 5.3689 5.3689 5.9239 5.9239 6.0730 6.0730 10.8236 10.8236 15.4121 15.4121 16.0770 16.0770 16.0828 16.0828 k = 0.0866 0.1500-0.0000 ( 5519 PWs) bands (ev): -38.4176 -38.4176 -38.4153 -38.4153 -6.9951 -6.9951 -6.7343 -6.7343 1.0892 1.0892 3.1126 3.1126 5.3166 5.3166 5.4981 5.4981 6.0142 6.0142 6.1597 6.1597 10.8055 10.8055 15.5899 15.5899 16.0344 16.0344 16.0734 16.0734 k = 0.0823 0.1425-0.0000 ( 5519 PWs) bands (ev): -38.4185 -38.4185 -38.4161 -38.4161 -7.0347 -7.0347 -6.7756 -6.7756 1.0501 1.0501 3.0623 3.0623 5.4499 5.4499 5.6252 5.6252 6.1016 6.1016 6.2432 6.2432 10.7886 10.7886 15.7636 15.7636 15.9939 15.9939 16.0666 16.0666 k = 0.0779 0.1350-0.0000 ( 5517 PWs) bands (ev): -38.4193 -38.4193 -38.4169 -38.4169 -7.0722 -7.0722 -6.8148 -6.8148 1.0130 1.0130 3.0145 3.0145 5.5807 5.5807 5.7497 5.7497 6.1857 6.1857 6.3236 6.3236 10.7732 10.7732 15.9324 15.9324 15.9555 15.9555 16.0623 16.0623 k = 0.0736 0.1275-0.0000 ( 5505 PWs) bands (ev): -38.4200 -38.4200 -38.4176 -38.4176 -7.1078 -7.1078 -6.8519 -6.8519 0.9779 0.9779 2.9693 2.9693 5.7085 5.7085 5.8713 5.8713 6.2664 6.2664 6.4005 6.4005 10.7590 10.7590 15.9192 15.9192 16.0603 16.0603 16.0960 16.0960 k = 0.0693 0.1200-0.0000 ( 5501 PWs) bands (ev): -38.4207 -38.4207 -38.4183 -38.4183 -7.1414 -7.1414 -6.8870 -6.8870 0.9447 0.9447 2.9266 2.9266 5.8331 5.8331 5.9897 5.9897 6.3437 6.3437 6.4739 6.4739 10.7461 10.7461 15.8851 15.8851 16.0603 16.0603 16.2536 16.2536 k = 0.0649 0.1125-0.0000 ( 5497 PWs) bands (ev): -38.4214 -38.4214 -38.4190 -38.4190 -7.1730 -7.1730 -6.9199 -6.9199 0.9135 0.9135 2.8864 2.8864 5.9539 5.9539 6.1045 6.1045 6.4171 6.4171 6.5436 6.5436 10.7343 10.7343 15.8531 15.8531 16.0619 16.0619 16.4047 16.4047 k = 0.0606 0.1050-0.0000 ( 5497 PWs) bands (ev): -38.4221 -38.4221 -38.4196 -38.4196 -7.2025 -7.2025 -6.9508 -6.9508 0.8843 0.8843 2.8488 2.8488 6.0705 6.0705 6.2151 6.2151 6.4867 6.4867 6.6095 6.6095 10.7237 10.7237 15.8232 15.8232 16.0642 16.0642 16.3971 16.3971 k = 0.0563 0.0975-0.0000 ( 5497 PWs) bands (ev): -38.4227 -38.4227 -38.4202 -38.4202 -7.2300 -7.2300 -6.9795 -6.9795 0.8571 0.8571 2.8137 2.8137 6.1824 6.1824 6.3212 6.3212 6.5521 6.5521 6.6715 6.6715 10.7142 10.7142 15.7954 15.7954 16.0657 16.0657 16.3263 16.3263 k = 0.0519 0.0900-0.0000 ( 5501 PWs) bands (ev): -38.4233 -38.4233 -38.4208 -38.4208 -7.2555 -7.2555 -7.0062 -7.0062 0.8319 0.8319 2.7812 2.7812 6.2892 6.2892 6.4223 6.4223 6.6134 6.6134 6.7293 6.7293 10.7057 10.7057 15.7698 15.7698 16.0630 16.0630 16.2612 16.2612 k = 0.0476 0.0825-0.0000 ( 5505 PWs) bands (ev): -38.4238 -38.4238 -38.4213 -38.4213 -7.2790 -7.2790 -7.0307 -7.0307 0.8087 0.8087 2.7513 2.7513 6.3902 6.3902 6.5179 6.5179 6.6703 6.6703 6.7830 6.7830 10.6981 10.6981 15.7463 15.7463 16.0485 16.0485 16.2102 16.2102 k = 0.0433 0.0750-0.0000 ( 5501 PWs) bands (ev): -38.4243 -38.4243 -38.4218 -38.4218 -7.3005 -7.3005 -7.0531 -7.0531 0.7875 0.7875 2.7240 2.7240 6.4850 6.4850 6.6074 6.6074 6.7228 6.7228 6.8324 6.8324 10.6914 10.6914 15.7250 15.7250 16.0131 16.0131 16.1829 16.1829 k = 0.0390 0.0675-0.0000 ( 5503 PWs) bands (ev): -38.4247 -38.4247 -38.4223 -38.4223 -7.3199 -7.3199 -7.0734 -7.0734 0.7683 0.7683 2.6992 2.6992 6.5729 6.5729 6.6903 6.6903 6.7708 6.7708 6.8774 6.8774 10.6855 10.6855 15.7058 15.7058 15.9607 15.9607 16.1766 16.1766 k = 0.0346 0.0600-0.0000 ( 5503 PWs) bands (ev): -38.4251 -38.4251 -38.4227 -38.4227 -7.3372 -7.3372 -7.0915 -7.0915 0.7511 0.7511 2.6771 2.6771 6.6535 6.6535 6.7658 6.7658 6.8144 6.8144 6.9178 6.9178 10.6804 10.6804 15.6887 15.6887 15.9021 15.9021 16.1810 16.1810 k = 0.0303 0.0525-0.0000 ( 5493 PWs) bands (ev): -38.4255 -38.4255 -38.4230 -38.4230 -7.3526 -7.3526 -7.1076 -7.1076 0.7360 0.7360 2.6575 2.6575 6.7262 6.7262 6.8318 6.8318 6.8551 6.8551 6.9537 6.9537 10.6760 10.6760 15.6737 15.6737 15.8442 15.8442 16.1901 16.1901 k = 0.0260 0.0450-0.0000 ( 5507 PWs) bands (ev): -38.4258 -38.4258 -38.4233 -38.4233 -7.3658 -7.3658 -7.1215 -7.1215 0.7228 0.7228 2.6406 2.6406 6.7905 6.7905 6.8793 6.8793 6.9014 6.9014 6.9850 6.9850 10.6723 10.6723 15.6608 15.6608 15.7903 15.7903 16.2010 16.2011 k = 0.0216 0.0375-0.0000 ( 5507 PWs) bands (ev): -38.4260 -38.4260 -38.4236 -38.4236 -7.3771 -7.3771 -7.1332 -7.1332 0.7117 0.7117 2.6262 2.6262 6.8458 6.8458 6.9100 6.9100 6.9510 6.9510 7.0115 7.0115 10.6692 10.6692 15.6499 15.6499 15.7423 15.7423 16.2124 16.2124 k = 0.0173 0.0300-0.0000 ( 5515 PWs) bands (ev): -38.4263 -38.4263 -38.4238 -38.4238 -7.3863 -7.3863 -7.1428 -7.1428 0.7026 0.7026 2.6144 2.6144 6.8917 6.8917 6.9339 6.9339 6.9936 6.9936 7.0334 7.0334 10.6667 10.6667 15.6411 15.6411 15.7015 15.7015 16.2230 16.2230 k = 0.0130 0.0225-0.0000 ( 5503 PWs) bands (ev): -38.4264 -38.4264 -38.4240 -38.4240 -7.3935 -7.3935 -7.1503 -7.1503 0.6955 0.6955 2.6053 2.6053 6.9278 6.9278 6.9524 6.9524 7.0272 7.0272 7.0505 7.0505 10.6648 10.6648 15.6343 15.6343 15.6689 15.6689 16.2322 16.2322 k = 0.0087 0.0150-0.0000 ( 5507 PWs) bands (ev): -38.4266 -38.4266 -38.4241 -38.4241 -7.3986 -7.3986 -7.1557 -7.1557 0.6905 0.6905 2.5988 2.5988 6.9535 6.9535 6.9659 6.9659 7.0511 7.0511 7.0631 7.0631 10.6634 10.6634 15.6294 15.6294 15.6453 15.6453 16.2392 16.2392 k = 0.0043 0.0075-0.0000 ( 5505 PWs) bands (ev): -38.4266 -38.4266 -38.4242 -38.4242 -7.4016 -7.4016 -7.1589 -7.1589 0.6874 0.6874 2.5949 2.5949 6.9681 6.9681 6.9750 6.9750 7.0646 7.0646 7.0716 7.0716 10.6626 10.6626 15.6260 15.6260 15.6314 15.6314 16.2432 16.2432 k = 0.0000 0.0000 0.0000 ( 5497 PWs) bands (ev): -38.4267 -38.4267 -38.4242 -38.4242 -7.4027 -7.4027 -7.1600 -7.1600 0.6864 0.6864 2.5935 2.5935 6.9723 6.9723 6.9787 6.9787 7.0686 7.0686 7.0751 7.0751 10.6623 10.6623 15.6240 15.6240 15.6276 15.6276 16.2433 16.2433 k = 0.0000 0.0000 0.0000 ( 5497 PWs) bands (ev): -38.4267 -38.4267 -38.4242 -38.4242 -7.4027 -7.4027 -7.1600 -7.1600 0.6864 0.6864 2.5935 2.5935 6.9723 6.9723 6.9787 6.9787 7.0686 7.0686 7.0751 7.0751 10.6623 10.6623 15.6240 15.6240 15.6276 15.6276 16.2433 16.2433 k = 0.0000 0.0000 0.0085 ( 5509 PWs) bands (ev): -38.4267 -38.4267 -38.4242 -38.4242 -7.4024 -7.4024 -7.1603 -7.1603 0.6882 0.6882 2.5906 2.5906 6.9724 6.9724 6.9788 6.9788 7.0684 7.0684 7.0750 7.0750 10.6681 10.6681 15.6246 15.6246 15.6282 15.6282 16.2424 16.2426 k = 0.0000 0.0000 0.0170 ( 5497 PWs) bands (ev): -38.4266 -38.4266 -38.4242 -38.4242 -7.4016 -7.4016 -7.1612 -7.1612 0.6935 0.6935 2.5817 2.5817 6.9727 6.9727 6.9791 6.9791 7.0681 7.0681 7.0746 7.0746 10.6854 10.6854 15.6264 15.6264 15.6301 15.6301 16.2398 16.2399 k = 0.0000 0.0000 0.0254 ( 5497 PWs) bands (ev): -38.4266 -38.4266 -38.4242 -38.4242 -7.4003 -7.4003 -7.1627 -7.1627 0.7024 0.7024 2.5669 2.5669 6.9733 6.9733 6.9797 6.9797 7.0675 7.0675 7.0740 7.0740 10.7141 10.7141 15.6295 15.6295 15.6331 15.6331 16.2355 16.2356 k = 0.0000 0.0000 0.0339 ( 5497 PWs) bands (ev): -38.4266 -38.4266 -38.4242 -38.4242 -7.3985 -7.3985 -7.1649 -7.1649 0.7148 0.7148 2.5465 2.5465 6.9740 6.9740 6.9804 6.9804 7.0667 7.0667 7.0733 7.0733 10.7540 10.7540 15.6338 15.6338 15.6374 15.6374 16.2296 16.2296 k = 0.0000 0.0000 0.0424 ( 5509 PWs) bands (ev): -38.4266 -38.4266 -38.4243 -38.4243 -7.3962 -7.3962 -7.1676 -7.1676 0.7306 0.7306 2.5206 2.5206 6.9750 6.9750 6.9814 6.9814 7.0657 7.0657 7.0722 7.0722 10.8050 10.8050 15.6392 15.6392 15.6429 15.6429 16.2220 16.2221 k = 0.0000 0.0000 0.0509 ( 5503 PWs) bands (ev): -38.4265 -38.4265 -38.4243 -38.4243 -7.3934 -7.3934 -7.1709 -7.1709 0.7500 0.7500 2.4896 2.4896 6.9762 6.9762 6.9826 6.9826 7.0645 7.0645 7.0710 7.0710 10.8667 10.8667 15.6459 15.6459 15.6496 15.6496 16.2027 16.2027 k = 0.0000 0.0000 0.0593 ( 5503 PWs) bands (ev): -38.4265 -38.4265 -38.4243 -38.4243 -7.3901 -7.3901 -7.1747 -7.1747 0.7727 0.7727 2.4536 2.4536 6.9776 6.9776 6.9840 6.9840 7.0631 7.0631 7.0696 7.0696 10.9388 10.9388 15.6537 15.6537 15.6574 15.6574 16.0584 16.0584 k = 0.0000 0.0000 0.0678 ( 5503 PWs) bands (ev): -38.4265 -38.4265 -38.4244 -38.4244 -7.3863 -7.3863 -7.1791 -7.1791 0.7987 0.7987 2.4131 2.4131 6.9792 6.9792 6.9856 6.9856 7.0614 7.0614 7.0679 7.0679 11.0210 11.0210 15.6627 15.6627 15.6664 15.6664 15.9052 15.9052 k = 0.0000 0.0000 0.0763 ( 5515 PWs) bands (ev): -38.4264 -38.4264 -38.4244 -38.4244 -7.3821 -7.3821 -7.1840 -7.1840 0.8280 0.8280 2.3684 2.3684 6.9809 6.9809 6.9874 6.9874 7.0596 7.0596 7.0661 7.0661 11.1129 11.1129 15.6728 15.6728 15.6765 15.6765 15.7444 15.7444 k = 0.0000 0.0000 0.0848 ( 5503 PWs) bands (ev): -38.4264 -38.4264 -38.4245 -38.4245 -7.3774 -7.3774 -7.1893 -7.1893 0.8605 0.8605 2.3199 2.3199 6.9829 6.9829 6.9893 6.9893 7.0576 7.0576 7.0641 7.0641 11.2139 11.2139 15.5768 15.5768 15.6840 15.6840 15.6876 15.6876 k = 0.0000 0.0000 0.0932 ( 5503 PWs) bands (ev): -38.4263 -38.4263 -38.4245 -38.4245 -7.3723 -7.3723 -7.1951 -7.1951 0.8961 0.8961 2.2681 2.2681 6.9850 6.9850 6.9915 6.9915 7.0554 7.0554 7.0619 7.0619 11.3238 11.3238 15.4035 15.4035 15.6962 15.6962 15.6999 15.6999 k = 0.0000 0.0000 0.1017 ( 5521 PWs) bands (ev): -38.4263 -38.4263 -38.4246 -38.4246 -7.3668 -7.3668 -7.2014 -7.2014 0.9347 0.9347 2.2132 2.2132 6.9873 6.9873 6.9938 6.9938 7.0531 7.0531 7.0596 7.0596 11.4420 11.4420 15.2253 15.2253 15.7094 15.7094 15.7131 15.7131 k = 0.0000 0.0000 0.1102 ( 5533 PWs) bands (ev): -38.4263 -38.4263 -38.4246 -38.4246 -7.3609 -7.3609 -7.2080 -7.2080 0.9763 0.9763 2.1558 2.1558 6.9898 6.9898 6.9962 6.9962 7.0506 7.0506 7.0571 7.0571 11.5681 11.5681 15.0431 15.0431 15.7237 15.7237 15.7274 15.7274 k = 0.0000 0.0000 0.1187 ( 5533 PWs) bands (ev): -38.4262 -38.4262 -38.4247 -38.4247 -7.3546 -7.3546 -7.2149 -7.2149 1.0206 1.0206 2.0962 2.0962 6.9924 6.9924 6.9988 6.9988 7.0479 7.0479 7.0544 7.0544 11.7017 11.7017 14.8578 14.8578 15.7388 15.7388 15.7425 15.7425 k = 0.0000 0.0000 0.1271 ( 5557 PWs) bands (ev): -38.4261 -38.4261 -38.4248 -38.4248 -7.3480 -7.3480 -7.2221 -7.2221 1.0675 1.0675 2.0347 2.0347 6.9951 6.9951 7.0015 7.0015 7.0451 7.0451 7.0516 7.0516 11.8422 11.8422 14.6701 14.6701 15.7549 15.7549 15.7586 15.7586 k = 0.0000 0.0000 0.1356 ( 5557 PWs) bands (ev): -38.4260 -38.4260 -38.4249 -38.4249 -7.3411 -7.3411 -7.2297 -7.2297 1.1170 1.1170 1.9719 1.9719 6.9979 6.9979 7.0044 7.0044 7.0422 7.0422 7.0487 7.0487 11.9893 11.9893 14.4808 14.4808 15.7717 15.7717 15.7755 15.7755 k = 0.0000 0.0000 0.1441 ( 5557 PWs) bands (ev): -38.4260 -38.4260 -38.4250 -38.4250 -7.3339 -7.3339 -7.2374 -7.2374 1.1689 1.1689 1.9080 1.9080 7.0009 7.0009 7.0073 7.0073 7.0393 7.0393 7.0457 7.0457 12.1424 12.1424 14.2906 14.2906 15.7893 15.7893 15.7931 15.7931 k = 0.0000 0.0000 0.1526 ( 5557 PWs) bands (ev): -38.4259 -38.4259 -38.4251 -38.4251 -7.3264 -7.3264 -7.2453 -7.2453 1.2230 1.2230 1.8434 1.8434 7.0039 7.0039 7.0104 7.0104 7.0362 7.0362 7.0427 7.0427 12.3012 12.3012 14.1001 14.1001 15.8077 15.8077 15.8115 15.8115 k = 0.0000 0.0000 0.1610 ( 5581 PWs) bands (ev): -38.4258 -38.4258 -38.4252 -38.4252 -7.3187 -7.3187 -7.2534 -7.2534 1.2792 1.2792 1.7784 1.7784 7.0070 7.0070 7.0135 7.0135 7.0330 7.0330 7.0395 7.0395 12.4652 12.4652 13.9100 13.9100 15.8267 15.8267 15.8305 15.8305 k = 0.0000 0.0000 0.1695 ( 5581 PWs) bands (ev): -38.4257 -38.4257 -38.4252 -38.4252 -7.3109 -7.3109 -7.2616 -7.2616 1.3373 1.3373 1.7134 1.7134 7.0102 7.0102 7.0167 7.0167 7.0298 7.0298 7.0363 7.0363 12.6339 12.6339 13.7208 13.7208 15.8462 15.8462 15.8500 15.8500 k = 0.0000 0.0000 0.1780 ( 5581 PWs) bands (ev): -38.4257 -38.4257 -38.4253 -38.4253 -7.3028 -7.3028 -7.2699 -7.2699 1.3970 1.3970 1.6485 1.6485 7.0135 7.0135 7.0199 7.0199 7.0266 7.0266 7.0330 7.0330 12.8069 12.8069 13.5331 13.5331 15.8662 15.8662 15.8701 15.8701 k = 0.0000 0.0000 0.1865 ( 5575 PWs) bands (ev): -38.4256 -38.4256 -38.4254 -38.4254 -7.2947 -7.2947 -7.2782 -7.2782 1.4582 1.4582 1.5842 1.5842 7.0167 7.0167 7.0232 7.0232 7.0233 7.0233 7.0298 7.0298 12.9838 12.9838 13.3474 13.3474 15.8867 15.8867 15.8906 15.8906 k = 0.0000 0.0000 0.1949 ( 5576 PWs) bands (ev): -38.4255 -38.4255 -38.4255 -38.4255 -7.2865 -7.2865 -7.2865 -7.2865 1.5207 1.5207 1.5207 1.5207 7.0200 7.0200 7.0200 7.0200 7.0265 7.0265 7.0265 7.0265 13.1641 13.1641 13.1641 13.1641 15.9075 15.9075 15.9075 15.9076 k = 0.0000 0.0000 0.1949 ( 5576 PWs) bands (ev): -38.4255 -38.4255 -38.4255 -38.4255 -7.2865 -7.2865 -7.2865 -7.2865 1.5207 1.5207 1.5207 1.5207 7.0200 7.0200 7.0200 7.0200 7.0265 7.0265 7.0265 7.0265 13.1641 13.1641 13.1641 13.1641 15.9075 15.9075 15.9075 15.9075 k = 0.0075 0.0043 0.1949 ( 5572 PWs) bands (ev): -38.4255 -38.4255 -38.4255 -38.4255 -7.2854 -7.2854 -7.2854 -7.2854 1.5218 1.5218 1.5218 1.5218 7.0160 7.0160 7.0160 7.0160 7.0229 7.0229 7.0229 7.0229 13.1646 13.1646 13.1646 13.1646 15.9087 15.9087 15.9087 15.9088 k = 0.0149 0.0086 0.1949 ( 5568 PWs) bands (ev): -38.4254 -38.4254 -38.4254 -38.4254 -7.2823 -7.2823 -7.2823 -7.2823 1.5252 1.5252 1.5252 1.5252 7.0021 7.0021 7.0021 7.0021 7.0142 7.0142 7.0142 7.0142 13.1659 13.1659 13.1659 13.1659 15.9092 15.9092 15.9092 15.9092 k = 0.0224 0.0129 0.1949 ( 5568 PWs) bands (ev): -38.4253 -38.4253 -38.4253 -38.4253 -7.2771 -7.2771 -7.2771 -7.2771 1.5307 1.5307 1.5307 1.5307 6.9775 6.9775 6.9775 6.9775 7.0014 7.0014 7.0014 7.0014 13.1682 13.1682 13.1682 13.1682 15.9092 15.9092 15.9092 15.9092 k = 0.0299 0.0172 0.1949 ( 5558 PWs) bands (ev): -38.4251 -38.4251 -38.4251 -38.4251 -7.2699 -7.2699 -7.2699 -7.2699 1.5384 1.5384 1.5384 1.5384 6.9427 6.9427 6.9427 6.9427 6.9841 6.9841 6.9841 6.9841 13.1713 13.1713 13.1713 13.1713 15.9090 15.9090 15.9090 15.9090 k = 0.0373 0.0215 0.1949 ( 5554 PWs) bands (ev): -38.4249 -38.4249 -38.4249 -38.4249 -7.2606 -7.2606 -7.2606 -7.2606 1.5484 1.5484 1.5484 1.5484 6.8983 6.8983 6.8983 6.8983 6.9621 6.9621 6.9621 6.9621 13.1753 13.1753 13.1753 13.1753 15.9086 15.9086 15.9086 15.9086 k = 0.0448 0.0259 0.1949 ( 5556 PWs) bands (ev): -38.4246 -38.4246 -38.4246 -38.4246 -7.2492 -7.2492 -7.2492 -7.2492 1.5606 1.5606 1.5606 1.5606 6.8444 6.8444 6.8444 6.8444 6.9357 6.9357 6.9357 6.9357 13.1800 13.1800 13.1800 13.1800 15.9079 15.9079 15.9079 15.9079 k = 0.0522 0.0302 0.1949 ( 5552 PWs) bands (ev): -38.4243 -38.4243 -38.4243 -38.4243 -7.2358 -7.2358 -7.2358 -7.2358 1.5749 1.5749 1.5749 1.5749 6.7815 6.7815 6.7815 6.7815 6.9050 6.9050 6.9050 6.9050 13.1855 13.1855 13.1855 13.1855 15.9068 15.9068 15.9068 15.9068 k = 0.0597 0.0345 0.1949 ( 5548 PWs) bands (ev): -38.4240 -38.4240 -38.4240 -38.4240 -7.2203 -7.2203 -7.2203 -7.2203 1.5915 1.5915 1.5915 1.5915 6.7099 6.7099 6.7099 6.7099 6.8702 6.8702 6.8702 6.8702 13.1917 13.1917 13.1917 13.1917 15.9051 15.9051 15.9051 15.9051 k = 0.0672 0.0388 0.1949 ( 5552 PWs) bands (ev): -38.4236 -38.4236 -38.4236 -38.4236 -7.2027 -7.2027 -7.2027 -7.2027 1.6103 1.6103 1.6103 1.6103 6.6300 6.6300 6.6300 6.6300 6.8315 6.8315 6.8315 6.8315 13.1985 13.1985 13.1985 13.1985 15.9027 15.9027 15.9027 15.9027 k = 0.0746 0.0431 0.1949 ( 5538 PWs) bands (ev): -38.4231 -38.4231 -38.4231 -38.4231 -7.1831 -7.1831 -7.1831 -7.1831 1.6312 1.6312 1.6312 1.6312 6.5422 6.5422 6.5422 6.5422 6.7891 6.7891 6.7891 6.7891 13.2058 13.2058 13.2058 13.2058 15.8995 15.8995 15.8995 15.8995 k = 0.0821 0.0474 0.1949 ( 5536 PWs) bands (ev): -38.4226 -38.4226 -38.4226 -38.4226 -7.1614 -7.1614 -7.1614 -7.1614 1.6543 1.6543 1.6543 1.6543 6.4470 6.4470 6.4470 6.4470 6.7433 6.7433 6.7433 6.7433 13.2137 13.2137 13.2137 13.2137 15.8954 15.8954 15.8954 15.8954 k = 0.0896 0.0517 0.1949 ( 5534 PWs) bands (ev): -38.4221 -38.4221 -38.4221 -38.4221 -7.1376 -7.1376 -7.1376 -7.1376 1.6796 1.6796 1.6796 1.6796 6.3447 6.3447 6.3447 6.3447 6.6943 6.6943 6.6943 6.6943 13.2220 13.2220 13.2220 13.2220 15.8902 15.8902 15.8902 15.8902 k = 0.0970 0.0560 0.1949 ( 5538 PWs) bands (ev): -38.4215 -38.4215 -38.4215 -38.4215 -7.1119 -7.1119 -7.1119 -7.1119 1.7071 1.7071 1.7071 1.7071 6.2358 6.2358 6.2358 6.2358 6.6425 6.6425 6.6425 6.6425 13.2307 13.2307 13.2307 13.2307 15.8838 15.8838 15.8838 15.8838 k = 0.1045 0.0603 0.1949 ( 5528 PWs) bands (ev): -38.4209 -38.4209 -38.4209 -38.4209 -7.0840 -7.0840 -7.0840 -7.0840 1.7367 1.7367 1.7367 1.7367 6.1208 6.1208 6.1208 6.1208 6.5881 6.5881 6.5881 6.5881 13.2397 13.2397 13.2397 13.2397 15.8759 15.8759 15.8759 15.8759 k = 0.1119 0.0646 0.1949 ( 5528 PWs) bands (ev): -38.4203 -38.4203 -38.4203 -38.4203 -7.0542 -7.0542 -7.0542 -7.0542 1.7685 1.7685 1.7685 1.7685 6.0001 6.0001 6.0001 6.0001 6.5314 6.5314 6.5314 6.5314 13.2490 13.2490 13.2490 13.2490 15.8663 15.8663 15.8663 15.8663 k = 0.1194 0.0689 0.1949 ( 5520 PWs) bands (ev): -38.4196 -38.4196 -38.4196 -38.4196 -7.0223 -7.0223 -7.0223 -7.0223 1.8023 1.8023 1.8023 1.8023 5.8741 5.8741 5.8741 5.8741 6.4725 6.4725 6.4725 6.4725 13.2585 13.2585 13.2585 13.2585 15.8545 15.8545 15.8545 15.8545 k = 0.1269 0.0732 0.1949 ( 5516 PWs) bands (ev): -38.4189 -38.4189 -38.4189 -38.4189 -6.9883 -6.9883 -6.9883 -6.9883 1.8383 1.8383 1.8383 1.8383 5.7433 5.7433 5.7433 5.7433 6.4119 6.4119 6.4119 6.4119 13.2681 13.2681 13.2681 13.2681 15.8400 15.8400 15.8400 15.8400 k = 0.1343 0.0776 0.1949 ( 5504 PWs) bands (ev): -38.4181 -38.4181 -38.4181 -38.4181 -6.9524 -6.9524 -6.9524 -6.9524 1.8764 1.8764 1.8764 1.8764 5.6080 5.6080 5.6080 5.6080 6.3496 6.3496 6.3496 6.3496 13.2779 13.2779 13.2779 13.2779 15.8217 15.8217 15.8217 15.8217 k = 0.1418 0.0819 0.1949 ( 5502 PWs) bands (ev): -38.4173 -38.4173 -38.4173 -38.4173 -6.9144 -6.9144 -6.9144 -6.9144 1.9165 1.9165 1.9165 1.9165 5.4686 5.4686 5.4686 5.4686 6.2861 6.2861 6.2861 6.2861 13.2876 13.2876 13.2876 13.2876 15.7978 15.7978 15.7978 15.7978 k = 0.1493 0.0862 0.1949 ( 5502 PWs) bands (ev): -38.4165 -38.4165 -38.4165 -38.4165 -6.8744 -6.8744 -6.8744 -6.8744 1.9587 1.9587 1.9587 1.9587 5.3256 5.3256 5.3256 5.3256 6.2214 6.2214 6.2214 6.2214 13.2972 13.2972 13.2972 13.2972 15.7653 15.7653 15.7653 15.7653 k = 0.1567 0.0905 0.1949 ( 5510 PWs) bands (ev): -38.4157 -38.4157 -38.4157 -38.4157 -6.8324 -6.8324 -6.8324 -6.8324 2.0029 2.0029 2.0029 2.0029 5.1793 5.1793 5.1793 5.1793 6.1558 6.1558 6.1558 6.1558 13.3066 13.3066 13.3066 13.3066 15.7192 15.7192 15.7192 15.7192 k = 0.1642 0.0948 0.1949 ( 5514 PWs) bands (ev): -38.4148 -38.4148 -38.4148 -38.4148 -6.7884 -6.7884 -6.7884 -6.7884 2.0490 2.0490 2.0490 2.0490 5.0300 5.0300 5.0300 5.0300 6.0895 6.0895 6.0895 6.0895 13.3157 13.3157 13.3157 13.3157 15.6531 15.6531 15.6531 15.6531 k = 0.1716 0.0991 0.1949 ( 5516 PWs) bands (ev): -38.4140 -38.4140 -38.4140 -38.4140 -6.7424 -6.7424 -6.7424 -6.7424 2.0971 2.0971 2.0971 2.0971 4.8782 4.8782 4.8782 4.8782 6.0227 6.0227 6.0227 6.0227 13.3241 13.3241 13.3241 13.3241 15.5624 15.5624 15.5624 15.5624 k = 0.1791 0.1034 0.1949 ( 5512 PWs) bands (ev): -38.4130 -38.4130 -38.4130 -38.4130 -6.6945 -6.6945 -6.6945 -6.6945 2.1470 2.1470 2.1470 2.1470 4.7242 4.7242 4.7242 4.7242 5.9556 5.9556 5.9556 5.9556 13.3318 13.3318 13.3318 13.3318 15.4485 15.4485 15.4485 15.4485 k = 0.1866 0.1077 0.1949 ( 5516 PWs) bands (ev): -38.4121 -38.4121 -38.4121 -38.4121 -6.6445 -6.6445 -6.6445 -6.6445 2.1987 2.1987 2.1987 2.1987 4.5682 4.5682 4.5682 4.5682 5.8884 5.8884 5.8884 5.8884 13.3383 13.3383 13.3383 13.3383 15.3173 15.3173 15.3173 15.3173 k = 0.1940 0.1120 0.1949 ( 5518 PWs) bands (ev): -38.4112 -38.4112 -38.4112 -38.4112 -6.5927 -6.5927 -6.5927 -6.5927 2.2520 2.2520 2.2520 2.2520 4.4108 4.4108 4.4108 4.4108 5.8212 5.8212 5.8212 5.8212 13.3431 13.3431 13.3431 13.3431 15.1751 15.1751 15.1751 15.1751 k = 0.2015 0.1163 0.1949 ( 5518 PWs) bands (ev): -38.4102 -38.4102 -38.4102 -38.4102 -6.5388 -6.5388 -6.5388 -6.5388 2.3068 2.3068 2.3068 2.3068 4.2522 4.2522 4.2522 4.2522 5.7542 5.7542 5.7542 5.7542 13.3457 13.3457 13.3457 13.3457 15.0265 15.0265 15.0265 15.0265 k = 0.2090 0.1206 0.1949 ( 5516 PWs) bands (ev): -38.4092 -38.4092 -38.4092 -38.4092 -6.4831 -6.4831 -6.4831 -6.4831 2.3628 2.3628 2.3628 2.3628 4.0931 4.0931 4.0931 4.0931 5.6875 5.6875 5.6875 5.6875 13.3452 13.3452 13.3452 13.3452 14.8750 14.8750 14.8750 14.8750 k = 0.2164 0.1249 0.1949 ( 5514 PWs) bands (ev): -38.4082 -38.4082 -38.4082 -38.4082 -6.4254 -6.4254 -6.4254 -6.4254 2.4198 2.4198 2.4198 2.4198 3.9338 3.9338 3.9338 3.9338 5.6214 5.6214 5.6214 5.6214 13.3402 13.3402 13.3402 13.3402 14.7235 14.7235 14.7235 14.7235 k = 0.2239 0.1293 0.1949 ( 5518 PWs) bands (ev): -38.4072 -38.4072 -38.4072 -38.4072 -6.3659 -6.3659 -6.3659 -6.3659 2.4770 2.4770 2.4770 2.4770 3.7752 3.7752 3.7752 3.7752 5.5558 5.5558 5.5558 5.5558 13.3289 13.3289 13.3289 13.3289 14.5751 14.5751 14.5751 14.5751 k = 0.2313 0.1336 0.1949 ( 5508 PWs) bands (ev): -38.4062 -38.4062 -38.4062 -38.4062 -6.3045 -6.3045 -6.3045 -6.3045 2.5334 2.5334 2.5334 2.5334 3.6186 3.6186 3.6186 3.6186 5.4909 5.4909 5.4909 5.4909 13.3088 13.3088 13.3088 13.3088 14.4332 14.4332 14.4332 14.4332 k = 0.2388 0.1379 0.1949 ( 5504 PWs) bands (ev): -38.4052 -38.4052 -38.4052 -38.4052 -6.2412 -6.2412 -6.2412 -6.2412 2.5870 2.5870 2.5870 2.5870 3.4661 3.4661 3.4661 3.4661 5.4268 5.4268 5.4268 5.4268 13.2765 13.2765 13.2765 13.2765 14.3017 14.3017 14.3017 14.3017 k = 0.2463 0.1422 0.1949 ( 5508 PWs) bands (ev): -38.4042 -38.4042 -38.4042 -38.4042 -6.1761 -6.1761 -6.1761 -6.1761 2.6333 2.6333 2.6333 2.6333 3.3225 3.3225 3.3225 3.3225 5.3637 5.3637 5.3637 5.3637 13.2278 13.2278 13.2278 13.2278 14.1853 14.1853 14.1853 14.1853 k = 0.2537 0.1465 0.1949 ( 5500 PWs) bands (ev): -38.4031 -38.4031 -38.4031 -38.4031 -6.1091 -6.1091 -6.1091 -6.1091 2.6622 2.6622 2.6622 2.6622 3.1979 3.1979 3.1979 3.1979 5.3016 5.3016 5.3016 5.3016 13.1590 13.1590 13.1590 13.1590 14.0883 14.0883 14.0883 14.0883 k = 0.2612 0.1508 0.1949 ( 5500 PWs) bands (ev): -38.4021 -38.4021 -38.4021 -38.4021 -6.0404 -6.0404 -6.0404 -6.0404 2.6529 2.6529 2.6529 2.6529 3.1132 3.1132 3.1132 3.1132 5.2407 5.2407 5.2407 5.2407 13.0681 13.0681 13.0681 13.0681 14.0127 14.0127 14.0127 14.0127 k = 0.2687 0.1551 0.1949 ( 5494 PWs) bands (ev): -38.4011 -38.4011 -38.4011 -38.4011 -5.9700 -5.9700 -5.9700 -5.9700 2.5859 2.5859 2.5859 2.5859 3.0881 3.0881 3.0881 3.0881 5.1809 5.1809 5.1809 5.1809 12.9563 12.9563 12.9563 12.9563 13.9581 13.9581 13.9581 13.9581 k = 0.2761 0.1594 0.1949 ( 5490 PWs) bands (ev): -38.4001 -38.4001 -38.4001 -38.4001 -5.8978 -5.8978 -5.8978 -5.8978 2.4718 2.4718 2.4718 2.4718 3.1120 3.1120 3.1120 3.1120 5.1224 5.1224 5.1224 5.1224 12.8268 12.8268 12.8268 12.8268 13.9211 13.9211 13.9211 13.9211 k = 0.2836 0.1637 0.1949 ( 5474 PWs) bands (ev): -38.3991 -38.3991 -38.3991 -38.3991 -5.8239 -5.8239 -5.8239 -5.8239 2.3336 2.3336 2.3336 2.3336 3.1621 3.1621 3.1621 3.1621 5.0653 5.0653 5.0653 5.0653 12.6841 12.6841 12.6841 12.6841 13.8977 13.8977 13.8977 13.8977 k = 0.2910 0.1680 0.1949 ( 5474 PWs) bands (ev): -38.3981 -38.3981 -38.3981 -38.3981 -5.7485 -5.7485 -5.7485 -5.7485 2.1845 2.1845 2.1845 2.1845 3.2253 3.2253 3.2253 3.2253 5.0096 5.0096 5.0096 5.0096 12.5320 12.5320 12.5320 12.5320 13.8844 13.8844 13.8844 13.8844 k = 0.2985 0.1723 0.1949 ( 5484 PWs) bands (ev): -38.3971 -38.3971 -38.3971 -38.3971 -5.6714 -5.6714 -5.6714 -5.6714 2.0304 2.0304 2.0304 2.0304 3.2958 3.2958 3.2958 3.2958 4.9554 4.9554 4.9554 4.9554 12.3735 12.3735 12.3735 12.3735 13.8781 13.8781 13.8781 13.8781 k = 0.3060 0.1767 0.1949 ( 5488 PWs) bands (ev): -38.3961 -38.3961 -38.3961 -38.3961 -5.5928 -5.5928 -5.5928 -5.5928 1.8740 1.8740 1.8740 1.8740 3.3708 3.3708 3.3708 3.3708 4.9028 4.9028 4.9028 4.9028 12.2110 12.2110 12.2110 12.2110 13.8768 13.8768 13.8768 13.8768 k = 0.3134 0.1810 0.1949 ( 5480 PWs) bands (ev): -38.3952 -38.3952 -38.3952 -38.3952 -5.5127 -5.5127 -5.5127 -5.5127 1.7167 1.7167 1.7167 1.7167 3.4490 3.4490 3.4490 3.4490 4.8517 4.8517 4.8517 4.8517 12.0461 12.0461 12.0461 12.0461 13.8791 13.8791 13.8791 13.8791 k = 0.3209 0.1853 0.1949 ( 5480 PWs) bands (ev): -38.3942 -38.3942 -38.3942 -38.3942 -5.4312 -5.4312 -5.4312 -5.4312 1.5595 1.5595 1.5595 1.5595 3.5296 3.5296 3.5296 3.5296 4.8023 4.8023 4.8023 4.8023 11.8802 11.8802 11.8802 11.8802 13.8838 13.8838 13.8838 13.8838 k = 0.3284 0.1896 0.1949 ( 5470 PWs) bands (ev): -38.3933 -38.3933 -38.3933 -38.3933 -5.3484 -5.3484 -5.3484 -5.3484 1.4028 1.4028 1.4028 1.4028 3.6121 3.6121 3.6121 3.6121 4.7547 4.7547 4.7547 4.7547 11.7140 11.7140 11.7140 11.7140 13.8903 13.8903 13.8903 13.8903 k = 0.3358 0.1939 0.1949 ( 5466 PWs) bands (ev): -38.3924 -38.3924 -38.3924 -38.3924 -5.2644 -5.2644 -5.2644 -5.2644 1.2470 1.2470 1.2470 1.2470 3.6961 3.6961 3.6961 3.6961 4.7087 4.7087 4.7087 4.7087 11.5484 11.5484 11.5484 11.5484 13.8980 13.8980 13.8980 13.8980 k = 0.3433 0.1982 0.1949 ( 5470 PWs) bands (ev): -38.3916 -38.3916 -38.3916 -38.3916 -5.1792 -5.1792 -5.1792 -5.1792 1.0926 1.0926 1.0926 1.0926 3.7813 3.7813 3.7813 3.7813 4.6646 4.6646 4.6646 4.6646 11.3840 11.3840 11.3840 11.3840 13.9065 13.9065 13.9065 13.9065 k = 0.3507 0.2025 0.1949 ( 5472 PWs) bands (ev): -38.3907 -38.3907 -38.3907 -38.3907 -5.0931 -5.0931 -5.0931 -5.0931 0.9397 0.9397 0.9397 0.9397 3.8674 3.8674 3.8674 3.8674 4.6223 4.6223 4.6223 4.6223 11.2213 11.2213 11.2213 11.2213 13.9154 13.9154 13.9154 13.9154 k = 0.3582 0.2068 0.1949 ( 5472 PWs) bands (ev): -38.3899 -38.3899 -38.3899 -38.3899 -5.0060 -5.0060 -5.0060 -5.0060 0.7887 0.7887 0.7887 0.7887 3.9541 3.9541 3.9541 3.9541 4.5818 4.5818 4.5818 4.5818 11.0609 11.0609 11.0609 11.0609 13.9245 13.9245 13.9245 13.9245 k = 0.3657 0.2111 0.1949 ( 5468 PWs) bands (ev): -38.3891 -38.3891 -38.3891 -38.3891 -4.9182 -4.9182 -4.9182 -4.9182 0.6398 0.6398 0.6398 0.6398 4.0412 4.0412 4.0412 4.0412 4.5432 4.5432 4.5432 4.5432 10.9032 10.9032 10.9032 10.9032 13.9336 13.9336 13.9336 13.9336 k = 0.3731 0.2154 0.1949 ( 5458 PWs) bands (ev): -38.3884 -38.3884 -38.3884 -38.3884 -4.8299 -4.8299 -4.8299 -4.8299 0.4933 0.4933 0.4933 0.4933 4.1283 4.1283 4.1283 4.1283 4.5066 4.5066 4.5066 4.5066 10.7486 10.7486 10.7486 10.7486 13.9426 13.9426 13.9426 13.9426 k = 0.3806 0.2197 0.1949 ( 5458 PWs) bands (ev): -38.3877 -38.3877 -38.3877 -38.3877 -4.7413 -4.7413 -4.7413 -4.7413 0.3495 0.3495 0.3495 0.3495 4.2152 4.2152 4.2152 4.2152 4.4719 4.4719 4.4719 4.4719 10.5977 10.5977 10.5977 10.5977 13.9514 13.9514 13.9514 13.9514 k = 0.3881 0.2240 0.1949 ( 5454 PWs) bands (ev): -38.3870 -38.3870 -38.3870 -38.3870 -4.6527 -4.6527 -4.6527 -4.6527 0.2087 0.2087 0.2087 0.2087 4.3014 4.3014 4.3014 4.3014 4.4392 4.4392 4.4392 4.4392 10.4508 10.4508 10.4508 10.4508 13.9598 13.9598 13.9598 13.9598 k = 0.3955 0.2284 0.1949 ( 5454 PWs) bands (ev): -38.3863 -38.3863 -38.3863 -38.3863 -4.5642 -4.5642 -4.5642 -4.5642 0.0713 0.0713 0.0713 0.0713 4.3866 4.3866 4.3866 4.3866 4.4086 4.4086 4.4086 4.4086 10.3084 10.3084 10.3084 10.3084 13.9678 13.9678 13.9678 13.9678 k = 0.4030 0.2327 0.1949 ( 5454 PWs) bands (ev): -38.3857 -38.3857 -38.3857 -38.3857 -4.4764 -4.4764 -4.4764 -4.4764 -0.0623 -0.0623 -0.0623 -0.0623 4.3799 4.3799 4.3799 4.3799 4.4705 4.4705 4.4705 4.4705 10.1711 10.1711 10.1711 10.1711 13.9753 13.9753 13.9753 13.9753 k = 0.4104 0.2370 0.1949 ( 5454 PWs) bands (ev): -38.3852 -38.3852 -38.3852 -38.3852 -4.3896 -4.3896 -4.3896 -4.3896 -0.1917 -0.1917 -0.1917 -0.1917 4.3533 4.3533 4.3533 4.3533 4.5523 4.5523 4.5523 4.5523 10.0395 10.0395 10.0395 10.0395 13.9823 13.9823 13.9823 13.9823 k = 0.4179 0.2413 0.1949 ( 5454 PWs) bands (ev): -38.3846 -38.3846 -38.3846 -38.3846 -4.3043 -4.3043 -4.3043 -4.3043 -0.3162 -0.3162 -0.3162 -0.3162 4.3287 4.3287 4.3287 4.3287 4.6317 4.6317 4.6317 4.6317 9.9141 9.9141 9.9141 9.9141 13.9888 13.9888 13.9888 13.9888 k = 0.4254 0.2456 0.1949 ( 5462 PWs) bands (ev): -38.3842 -38.3842 -38.3842 -38.3842 -4.2212 -4.2212 -4.2212 -4.2212 -0.4354 -0.4354 -0.4354 -0.4354 4.3062 4.3062 4.3062 4.3062 4.7080 4.7080 4.7080 4.7080 9.7956 9.7956 9.7956 9.7956 13.9948 13.9948 13.9948 13.9948 k = 0.4328 0.2499 0.1949 ( 5466 PWs) bands (ev): -38.3837 -38.3837 -38.3837 -38.3837 -4.1408 -4.1408 -4.1408 -4.1408 -0.5483 -0.5483 -0.5483 -0.5483 4.2859 4.2859 4.2859 4.2859 4.7806 4.7806 4.7806 4.7806 9.6847 9.6847 9.6847 9.6847 14.0001 14.0001 14.0001 14.0001 k = 0.4403 0.2542 0.1949 ( 5466 PWs) bands (ev): -38.3833 -38.3833 -38.3833 -38.3833 -4.0641 -4.0641 -4.0641 -4.0641 -0.6543 -0.6543 -0.6543 -0.6543 4.2676 4.2676 4.2676 4.2676 4.8487 4.8487 4.8487 4.8487 9.5823 9.5823 9.5823 9.5823 14.0049 14.0049 14.0049 14.0049 k = 0.4478 0.2585 0.1949 ( 5458 PWs) bands (ev): -38.3830 -38.3830 -38.3830 -38.3830 -3.9921 -3.9921 -3.9921 -3.9921 -0.7522 -0.7522 -0.7522 -0.7522 4.2515 4.2515 4.2515 4.2515 4.9116 4.9116 4.9116 4.9116 9.4890 9.4890 9.4890 9.4890 14.0091 14.0091 14.0091 14.0091 k = 0.4552 0.2628 0.1949 ( 5462 PWs) bands (ev): -38.3827 -38.3827 -38.3827 -38.3827 -3.9257 -3.9257 -3.9257 -3.9257 -0.8411 -0.8411 -0.8411 -0.8411 4.2375 4.2375 4.2375 4.2375 4.9683 4.9683 4.9683 4.9683 9.4058 9.4058 9.4058 9.4058 14.0128 14.0128 14.0128 14.0128 k = 0.4627 0.2671 0.1949 ( 5458 PWs) bands (ev): -38.3824 -38.3824 -38.3824 -38.3824 -3.8663 -3.8663 -3.8663 -3.8663 -0.9195 -0.9195 -0.9195 -0.9195 4.2256 4.2256 4.2256 4.2256 5.0182 5.0182 5.0182 5.0182 9.3335 9.3335 9.3335 9.3335 14.0158 14.0158 14.0158 14.0158 k = 0.4701 0.2714 0.1949 ( 5450 PWs) bands (ev): -38.3822 -38.3822 -38.3822 -38.3822 -3.8152 -3.8152 -3.8152 -3.8152 -0.9863 -0.9863 -0.9863 -0.9863 4.2159 4.2159 4.2159 4.2159 5.0604 5.0604 5.0604 5.0604 9.2730 9.2730 9.2730 9.2730 14.0183 14.0183 14.0183 14.0183 k = 0.4776 0.2757 0.1949 ( 5454 PWs) bands (ev): -38.3820 -38.3820 -38.3820 -38.3820 -3.7736 -3.7736 -3.7736 -3.7736 -1.0400 -1.0400 -1.0400 -1.0400 4.2083 4.2083 4.2083 4.2083 5.0942 5.0942 5.0942 5.0942 9.2249 9.2249 9.2249 9.2249 14.0203 14.0203 14.0203 14.0203 k = 0.4851 0.2801 0.1949 ( 5460 PWs) bands (ev): -38.3819 -38.3819 -38.3819 -38.3819 -3.7428 -3.7428 -3.7428 -3.7428 -1.0795 -1.0795 -1.0795 -1.0795 4.2029 4.2029 4.2029 4.2029 5.1188 5.1188 5.1188 5.1188 9.1901 9.1901 9.1901 9.1901 14.0217 14.0217 14.0217 14.0217 k = 0.4925 0.2844 0.1949 ( 5460 PWs) bands (ev): -38.3818 -38.3818 -38.3818 -38.3818 -3.7239 -3.7239 -3.7239 -3.7239 -1.1036 -1.1036 -1.1036 -1.1036 4.1997 4.1997 4.1997 4.1997 5.1338 5.1338 5.1338 5.1338 9.1690 9.1690 9.1690 9.1690 14.0225 14.0225 14.0225 14.0225 k = 0.5000 0.2887 0.1949 ( 5456 PWs) bands (ev): -38.3818 -38.3818 -38.3818 -38.3818 -3.7175 -3.7175 -3.7175 -3.7175 -1.1117 -1.1117 -1.1117 -1.1117 4.1986 4.1986 4.1986 4.1986 5.1388 5.1388 5.1388 5.1388 9.1619 9.1619 9.1619 9.1619 14.0228 14.0228 14.0228 14.0228 k = 0.5000 0.2887 0.1949 ( 5456 PWs) bands (ev): -38.3818 -38.3818 -38.3818 -38.3818 -3.7175 -3.7175 -3.7175 -3.7175 -1.1117 -1.1117 -1.1117 -1.1117 4.1986 4.1986 4.1986 4.1986 5.1388 5.1388 5.1388 5.1388 9.1619 9.1619 9.1619 9.1619 14.0228 14.0228 14.0228 14.0228 k = 0.4957 0.2961 0.1949 ( 5464 PWs) bands (ev): -38.3818 -38.3818 -38.3818 -38.3818 -3.7167 -3.7167 -3.7167 -3.7167 -1.1108 -1.1108 -1.1108 -1.1108 4.1931 4.1931 4.1931 4.1931 5.1402 5.1402 5.1402 5.1402 9.1613 9.1613 9.1613 9.1613 14.0282 14.0282 14.0283 14.0283 k = 0.4915 0.3035 0.1949 ( 5464 PWs) bands (ev): -38.3818 -38.3818 -38.3818 -38.3818 -3.7142 -3.7142 -3.7142 -3.7142 -1.1080 -1.1080 -1.1080 -1.1080 4.1766 4.1766 4.1767 4.1767 5.1444 5.1444 5.1445 5.1445 9.1595 9.1595 9.1595 9.1595 14.0446 14.0446 14.0448 14.0448 k = 0.4872 0.3109 0.1949 ( 5468 PWs) bands (ev): -38.3817 -38.3817 -38.3817 -38.3817 -3.7101 -3.7101 -3.7101 -3.7101 -1.1034 -1.1034 -1.1034 -1.1034 4.1495 4.1495 4.1495 4.1495 5.1515 5.1515 5.1515 5.1515 9.1564 9.1564 9.1564 9.1564 14.0717 14.0717 14.0719 14.0719 k = 0.4829 0.3183 0.1949 ( 5464 PWs) bands (ev): -38.3817 -38.3817 -38.3817 -38.3817 -3.7044 -3.7044 -3.7043 -3.7043 -1.0970 -1.0970 -1.0969 -1.0969 4.1119 4.1119 4.1119 4.1119 5.1612 5.1612 5.1613 5.1613 9.1520 9.1520 9.1521 9.1521 14.1091 14.1091 14.1094 14.1094 k = 0.4786 0.3257 0.1949 ( 5460 PWs) bands (ev): -38.3816 -38.3816 -38.3816 -38.3816 -3.6970 -3.6970 -3.6970 -3.6970 -1.0887 -1.0887 -1.0886 -1.0886 4.0642 4.0642 4.0643 4.0643 5.1736 5.1736 5.1736 5.1736 9.1463 9.1463 9.1463 9.1463 14.1563 14.1563 14.1566 14.1566 k = 0.4744 0.3331 0.1949 ( 5468 PWs) bands (ev): -38.3815 -38.3815 -38.3815 -38.3815 -3.6881 -3.6881 -3.6880 -3.6880 -1.0785 -1.0785 -1.0784 -1.0784 4.0071 4.0071 4.0072 4.0072 5.1885 5.1885 5.1886 5.1886 9.1392 9.1392 9.1392 9.1392 14.2125 14.2125 14.2130 14.2130 k = 0.4701 0.3405 0.1949 ( 5460 PWs) bands (ev): -38.3814 -38.3814 -38.3814 -38.3814 -3.6775 -3.6775 -3.6774 -3.6774 -1.0665 -1.0665 -1.0664 -1.0664 3.9410 3.9410 3.9410 3.9410 5.2059 5.2059 5.2060 5.2060 9.1305 9.1305 9.1305 9.1305 14.2771 14.2771 14.2776 14.2776 k = 0.4658 0.3479 0.1949 ( 5468 PWs) bands (ev): -38.3813 -38.3813 -38.3813 -38.3813 -3.6653 -3.6653 -3.6652 -3.6652 -1.0527 -1.0527 -1.0526 -1.0526 3.8664 3.8664 3.8664 3.8664 5.2258 5.2258 5.2259 5.2259 9.1202 9.1202 9.1202 9.1202 14.3491 14.3491 14.3497 14.3497 k = 0.4615 0.3553 0.1949 ( 5468 PWs) bands (ev): -38.3812 -38.3812 -38.3812 -38.3812 -3.6516 -3.6516 -3.6515 -3.6515 -1.0371 -1.0371 -1.0369 -1.0369 3.7840 3.7840 3.7841 3.7841 5.2481 5.2481 5.2482 5.2482 9.1081 9.1081 9.1081 9.1081 14.4275 14.4275 14.4281 14.4281 k = 0.4573 0.3627 0.1949 ( 5472 PWs) bands (ev): -38.3811 -38.3811 -38.3811 -38.3811 -3.6363 -3.6363 -3.6362 -3.6362 -1.0196 -1.0196 -1.0194 -1.0194 3.6944 3.6944 3.6944 3.6944 5.2727 5.2727 5.2728 5.2728 9.0942 9.0942 9.0942 9.0942 14.5111 14.5111 14.5118 14.5118 k = 0.4530 0.3701 0.1949 ( 5462 PWs) bands (ev): -38.3809 -38.3809 -38.3809 -38.3809 -3.6195 -3.6195 -3.6194 -3.6194 -1.0003 -1.0003 -1.0001 -1.0001 3.5981 3.5981 3.5982 3.5982 5.2997 5.2997 5.2998 5.2998 9.0784 9.0784 9.0784 9.0784 14.5987 14.5987 14.5995 14.5995 k = 0.4487 0.3775 0.1949 ( 5466 PWs) bands (ev): -38.3808 -38.3808 -38.3808 -38.3808 -3.6013 -3.6013 -3.6011 -3.6011 -0.9792 -0.9792 -0.9790 -0.9790 3.4959 3.4959 3.4960 3.4960 5.3290 5.3290 5.3291 5.3291 9.0605 9.0605 9.0605 9.0605 14.6892 14.6892 14.6901 14.6901 k = 0.4444 0.3849 0.1949 ( 5458 PWs) bands (ev): -38.3806 -38.3806 -38.3806 -38.3806 -3.5816 -3.5816 -3.5814 -3.5814 -0.9562 -0.9562 -0.9560 -0.9560 3.3883 3.3883 3.3884 3.3884 5.3606 5.3606 5.3607 5.3607 9.0405 9.0405 9.0405 9.0405 14.7813 14.7813 14.7823 14.7823 k = 0.4402 0.3923 0.1949 ( 5462 PWs) bands (ev): -38.3804 -38.3804 -38.3804 -38.3804 -3.5605 -3.5605 -3.5603 -3.5603 -0.9315 -0.9315 -0.9313 -0.9313 3.2759 3.2759 3.2759 3.2759 5.3944 5.3944 5.3945 5.3945 9.0181 9.0181 9.0182 9.0182 14.8738 14.8738 14.8748 14.8748 k = 0.4359 0.3997 0.1949 ( 5468 PWs) bands (ev): -38.3802 -38.3802 -38.3802 -38.3802 -3.5380 -3.5380 -3.5378 -3.5378 -0.9049 -0.9049 -0.9047 -0.9047 3.1592 3.1592 3.1592 3.1592 5.4306 5.4306 5.4307 5.4307 8.9934 8.9934 8.9935 8.9935 14.9656 14.9656 14.9667 14.9667 k = 0.4316 0.4071 0.1949 ( 5472 PWs) bands (ev): -38.3800 -38.3800 -38.3800 -38.3800 -3.5142 -3.5142 -3.5140 -3.5140 -0.8766 -0.8766 -0.8764 -0.8764 3.0388 3.0388 3.0389 3.0389 5.4689 5.4689 5.4690 5.4690 8.9663 8.9663 8.9663 8.9663 15.0558 15.0558 15.0570 15.0570 k = 0.4274 0.4145 0.1949 ( 5480 PWs) bands (ev): -38.3798 -38.3798 -38.3798 -38.3798 -3.4892 -3.4892 -3.4889 -3.4889 -0.8465 -0.8465 -0.8462 -0.8462 2.9153 2.9153 2.9153 2.9153 5.5095 5.5095 5.5096 5.5096 8.9366 8.9366 8.9366 8.9366 15.1437 15.1437 15.1450 15.1450 k = 0.4231 0.4219 0.1949 ( 5480 PWs) bands (ev): -38.3796 -38.3796 -38.3796 -38.3796 -3.4630 -3.4630 -3.4627 -3.4627 -0.8146 -0.8146 -0.8144 -0.8144 2.7891 2.7891 2.7892 2.7892 5.5522 5.5522 5.5523 5.5523 8.9043 8.9043 8.9043 8.9043 15.2287 15.2287 15.2300 15.2300 k = 0.4188 0.4293 0.1949 ( 5484 PWs) bands (ev): -38.3794 -38.3794 -38.3794 -38.3794 -3.4357 -3.4357 -3.4354 -3.4354 -0.7810 -0.7810 -0.7807 -0.7807 2.6608 2.6608 2.6609 2.6609 5.5971 5.5971 5.5972 5.5972 8.8693 8.8693 8.8694 8.8694 15.3103 15.3103 15.3117 15.3117 k = 0.4145 0.4367 0.1949 ( 5476 PWs) bands (ev): -38.3792 -38.3792 -38.3792 -38.3792 -3.4073 -3.4073 -3.4070 -3.4070 -0.7457 -0.7457 -0.7454 -0.7454 2.5309 2.5309 2.5309 2.5309 5.6440 5.6440 5.6441 5.6441 8.8317 8.8317 8.8317 8.8317 15.3886 15.3886 15.3900 15.3900 k = 0.4103 0.4441 0.1949 ( 5486 PWs) bands (ev): -38.3790 -38.3790 -38.3790 -38.3790 -3.3781 -3.3781 -3.3778 -3.3778 -0.7086 -0.7086 -0.7083 -0.7083 2.3997 2.3997 2.3998 2.3998 5.6930 5.6930 5.6931 5.6931 8.7913 8.7913 8.7914 8.7914 15.4634 15.4634 15.4649 15.4649 k = 0.4060 0.4515 0.1949 ( 5474 PWs) bands (ev): -38.3788 -38.3788 -38.3788 -38.3788 -3.3480 -3.3480 -3.3477 -3.3477 -0.6699 -0.6699 -0.6695 -0.6695 2.2679 2.2679 2.2679 2.2679 5.7438 5.7438 5.7439 5.7439 8.7483 8.7483 8.7483 8.7483 15.5348 15.5348 15.5363 15.5363 k = 0.4017 0.4589 0.1949 ( 5478 PWs) bands (ev): -38.3786 -38.3786 -38.3786 -38.3786 -3.3173 -3.3173 -3.3169 -3.3169 -0.6295 -0.6295 -0.6291 -0.6291 2.1357 2.1357 2.1358 2.1358 5.7965 5.7965 5.7966 5.7966 8.7026 8.7026 8.7026 8.7026 15.6029 15.6029 15.6045 15.6045 k = 0.3974 0.4663 0.1949 ( 5474 PWs) bands (ev): -38.3783 -38.3783 -38.3783 -38.3783 -3.2860 -3.2860 -3.2856 -3.2856 -0.5875 -0.5875 -0.5870 -0.5870 2.0037 2.0037 2.0038 2.0038 5.8509 5.8509 5.8510 5.8510 8.6544 8.6544 8.6544 8.6544 15.6679 15.6679 15.6695 15.6695 k = 0.3932 0.4737 0.1949 ( 5474 PWs) bands (ev): -38.3781 -38.3781 -38.3781 -38.3781 -3.2543 -3.2543 -3.2539 -3.2539 -0.5439 -0.5439 -0.5434 -0.5434 1.8724 1.8724 1.8725 1.8725 5.9068 5.9068 5.9069 5.9069 8.6037 8.6037 8.6037 8.6037 15.7299 15.7299 15.7315 15.7315 k = 0.3889 0.4811 0.1949 ( 5478 PWs) bands (ev): -38.3779 -38.3779 -38.3779 -38.3779 -3.2223 -3.2223 -3.2219 -3.2219 -0.4988 -0.4988 -0.4982 -0.4982 1.7422 1.7422 1.7423 1.7423 5.9641 5.9641 5.9642 5.9642 8.5507 8.5507 8.5507 8.5507 15.7890 15.7890 15.7906 15.7906 k = 0.3846 0.4885 0.1949 ( 5470 PWs) bands (ev): -38.3777 -38.3777 -38.3777 -38.3777 -3.1904 -3.1904 -3.1900 -3.1900 -0.4522 -0.4522 -0.4517 -0.4517 1.6136 1.6136 1.6138 1.6138 6.0226 6.0226 6.0227 6.0227 8.4957 8.4957 8.4957 8.4957 15.8450 15.8450 15.8467 15.8467 k = 0.3803 0.4959 0.1949 ( 5474 PWs) bands (ev): -38.3776 -38.3776 -38.3776 -38.3776 -3.1588 -3.1588 -3.1583 -3.1583 -0.4043 -0.4043 -0.4037 -0.4037 1.4871 1.4871 1.4873 1.4873 6.0819 6.0819 6.0820 6.0820 8.4390 8.4390 8.4390 8.4390 15.8980 15.8980 15.8997 15.8997 k = 0.3761 0.5033 0.1949 ( 5474 PWs) bands (ev): -38.3774 -38.3774 -38.3774 -38.3774 -3.1276 -3.1276 -3.1271 -3.1271 -0.3552 -0.3552 -0.3545 -0.3545 1.3633 1.3633 1.3636 1.3636 6.1417 6.1417 6.1418 6.1418 8.3810 8.3810 8.3810 8.3810 15.9476 15.9476 15.9493 15.9493 k = 0.3718 0.5107 0.1949 ( 5474 PWs) bands (ev): -38.3772 -38.3772 -38.3772 -38.3772 -3.0972 -3.0972 -3.0967 -3.0967 -0.3051 -0.3051 -0.3043 -0.3043 1.2429 1.2429 1.2432 1.2432 6.2016 6.2016 6.2017 6.2017 8.3222 8.3222 8.3222 8.3222 15.9934 15.9934 15.9951 15.9951 k = 0.3675 0.5181 0.1949 ( 5482 PWs) bands (ev): -38.3771 -38.3771 -38.3771 -38.3771 -3.0679 -3.0679 -3.0674 -3.0674 -0.2541 -0.2541 -0.2533 -0.2533 1.1265 1.1265 1.1269 1.1269 6.2610 6.2610 6.2611 6.2611 8.2633 8.2633 8.2633 8.2633 16.0342 16.0342 16.0359 16.0359 k = 0.3632 0.5255 0.1949 ( 5486 PWs) bands (ev): -38.3769 -38.3769 -38.3769 -38.3769 -3.0402 -3.0402 -3.0397 -3.0397 -0.2028 -0.2028 -0.2019 -0.2019 1.0151 1.0151 1.0155 1.0155 6.3190 6.3190 6.3191 6.3191 8.2051 8.2051 8.2052 8.2052 16.0677 16.0677 16.0693 16.0693 k = 0.3590 0.5329 0.1949 ( 5490 PWs) bands (ev): -38.3768 -38.3768 -38.3768 -38.3768 -3.0144 -3.0144 -3.0139 -3.0139 -0.1516 -0.1516 -0.1505 -0.1505 0.9098 0.9098 0.9103 0.9103 6.3748 6.3748 6.3749 6.3749 8.1488 8.1488 8.1488 8.1488 16.0876 16.0876 16.0888 16.0888 k = 0.3547 0.5403 0.1949 ( 5490 PWs) bands (ev): -38.3767 -38.3767 -38.3767 -38.3767 -2.9911 -2.9911 -2.9905 -2.9905 -0.1013 -0.1013 -0.1002 -0.1002 0.8119 0.8119 0.8126 0.8126 6.4271 6.4271 6.4272 6.4272 8.0956 8.0956 8.0956 8.0956 16.0884 16.0884 16.0890 16.0890 k = 0.3504 0.5477 0.1949 ( 5494 PWs) bands (ev): -38.3766 -38.3766 -38.3766 -38.3766 -2.9706 -2.9706 -2.9701 -2.9701 -0.0535 -0.0535 -0.0521 -0.0521 0.7235 0.7235 0.7243 0.7243 6.4744 6.4744 6.4745 6.4745 8.0472 8.0472 8.0473 8.0473 16.0798 16.0798 16.0801 16.0801 k = 0.3462 0.5551 0.1949 ( 5498 PWs) bands (ev): -38.3765 -38.3765 -38.3765 -38.3765 -2.9537 -2.9537 -2.9531 -2.9531 -0.0101 -0.0101 -0.0085 -0.0085 0.6474 0.6474 0.6484 0.6484 6.5148 6.5148 6.5149 6.5149 8.0057 8.0057 8.0058 8.0058 16.0712 16.0712 16.0714 16.0714 k = 0.3419 0.5625 0.1949 ( 5510 PWs) bands (ev): -38.3765 -38.3765 -38.3765 -38.3765 -2.9408 -2.9408 -2.9403 -2.9403 0.0255 0.0255 0.0272 0.0272 0.5875 0.5875 0.5888 0.5888 6.5462 6.5462 6.5463 6.5463 7.9733 7.9733 7.9734 7.9734 16.0655 16.0655 16.0655 16.0655 k = 0.3376 0.5699 0.1949 ( 5516 PWs) bands (ev): -38.3764 -38.3764 -38.3764 -38.3764 -2.9327 -2.9327 -2.9321 -2.9321 0.0489 0.0489 0.0509 0.0509 0.5489 0.5489 0.5504 0.5504 6.5665 6.5665 6.5665 6.5665 7.9524 7.9524 7.9525 7.9525 16.0628 16.0628 16.0628 16.0628 k = 0.3333 0.5774 0.1949 ( 5520 PWs) bands (ev): -38.3764 -38.3764 -38.3764 -38.3764 -2.9298 -2.9298 -2.9293 -2.9293 0.0569 0.0569 0.0589 0.0589 0.5358 0.5358 0.5373 0.5373 6.5735 6.5735 6.5736 6.5736 7.9451 7.9451 7.9451 7.9451 16.0622 16.0622 16.0623 16.0623 k = 0.3333 0.5774 0.1949 ( 5520 PWs) bands (ev): -38.3764 -38.3764 -38.3764 -38.3764 -2.9298 -2.9298 -2.9293 -2.9293 0.0569 0.0569 0.0589 0.0589 0.5358 0.5358 0.5373 0.5373 6.5735 6.5735 6.5736 6.5736 7.9451 7.9451 7.9451 7.9451 16.0622 16.0623 16.0623 16.0623 k = 0.3290 0.5699 0.1949 ( 5512 PWs) bands (ev): -38.3764 -38.3764 -38.3764 -38.3764 -2.9330 -2.9330 -2.9324 -2.9324 0.0498 0.0498 0.0518 0.0518 0.5483 0.5483 0.5498 0.5498 6.5660 6.5660 6.5661 6.5661 7.9530 7.9530 7.9530 7.9530 16.0619 16.0619 16.0619 16.0619 k = 0.3247 0.5624 0.1949 ( 5500 PWs) bands (ev): -38.3765 -38.3765 -38.3765 -38.3765 -2.9426 -2.9426 -2.9421 -2.9421 0.0330 0.0330 0.0348 0.0348 0.5821 0.5821 0.5834 0.5834 6.5432 6.5432 6.5433 6.5433 7.9768 7.9768 7.9769 7.9769 16.0583 16.0583 16.0585 16.0585 k = 0.3203 0.5549 0.1949 ( 5500 PWs) bands (ev): -38.3765 -38.3765 -38.3765 -38.3765 -2.9593 -2.9593 -2.9588 -2.9588 0.0130 0.0130 0.0146 0.0146 0.6309 0.6309 0.6320 0.6320 6.5060 6.5060 6.5061 6.5061 8.0162 8.0162 8.0162 8.0162 16.0473 16.0473 16.0477 16.0477 k = 0.3160 0.5474 0.1949 ( 5492 PWs) bands (ev): -38.3766 -38.3766 -38.3766 -38.3766 -2.9834 -2.9834 -2.9828 -2.9828 -0.0050 -0.0050 -0.0036 -0.0036 0.6898 0.6898 0.6908 0.6908 6.4557 6.4557 6.4558 6.4558 8.0697 8.0697 8.0697 8.0697 16.0261 16.0261 16.0267 16.0267 k = 0.3117 0.5399 0.1949 ( 5492 PWs) bands (ev): -38.3767 -38.3767 -38.3767 -38.3767 -3.0149 -3.0149 -3.0143 -3.0143 -0.0177 -0.0177 -0.0164 -0.0164 0.7557 0.7557 0.7565 0.7565 6.3942 6.3942 6.3943 6.3943 8.1357 8.1357 8.1357 8.1357 15.9947 15.9947 15.9955 15.9955 k = 0.3074 0.5324 0.1949 ( 5494 PWs) bands (ev): -38.3769 -38.3769 -38.3769 -38.3769 -3.0538 -3.0538 -3.0533 -3.0533 -0.0231 -0.0231 -0.0220 -0.0220 0.8266 0.8266 0.8273 0.8273 6.3234 6.3234 6.3235 6.3235 8.2124 8.2124 8.2125 8.2125 15.9547 15.9547 15.9557 15.9557 k = 0.3030 0.5249 0.1949 ( 5494 PWs) bands (ev): -38.3771 -38.3771 -38.3771 -38.3771 -3.1001 -3.1001 -3.0996 -3.0996 -0.0203 -0.0203 -0.0192 -0.0192 0.9015 0.9015 0.9020 0.9020 6.2450 6.2450 6.2451 6.2451 8.2983 8.2983 8.2984 8.2984 15.9082 15.9082 15.9092 15.9092 k = 0.2987 0.5174 0.1949 ( 5490 PWs) bands (ev): -38.3773 -38.3773 -38.3773 -38.3773 -3.1533 -3.1533 -3.1528 -3.1528 -0.0087 -0.0087 -0.0078 -0.0078 0.9795 0.9795 0.9799 0.9799 6.1606 6.1606 6.1607 6.1607 8.3921 8.3921 8.3922 8.3922 15.8565 15.8565 15.8576 15.8576 k = 0.2944 0.5099 0.1949 ( 5490 PWs) bands (ev): -38.3775 -38.3775 -38.3775 -38.3775 -3.2130 -3.2130 -3.2126 -3.2126 0.0115 0.0115 0.0124 0.0124 1.0601 1.0601 1.0605 1.0605 6.0713 6.0713 6.0714 6.0714 8.4926 8.4926 8.4927 8.4927 15.8010 15.8010 15.8021 15.8021 k = 0.2900 0.5024 0.1949 ( 5490 PWs) bands (ev): -38.3778 -38.3778 -38.3778 -38.3778 -3.2787 -3.2787 -3.2783 -3.2783 0.0403 0.0403 0.0411 0.0411 1.1431 1.1431 1.1435 1.1435 5.9782 5.9782 5.9783 5.9783 8.5990 8.5990 8.5991 8.5991 15.7424 15.7424 15.7436 15.7436 k = 0.2857 0.4949 0.1949 ( 5490 PWs) bands (ev): -38.3781 -38.3781 -38.3781 -38.3781 -3.3497 -3.3497 -3.3493 -3.3493 0.0772 0.0772 0.0779 0.0779 1.2282 1.2282 1.2286 1.2286 5.8821 5.8821 5.8822 5.8822 8.7106 8.7106 8.7106 8.7106 15.6817 15.6817 15.6828 15.6828 k = 0.2814 0.4874 0.1949 ( 5478 PWs) bands (ev): -38.3784 -38.3784 -38.3784 -38.3784 -3.4255 -3.4255 -3.4251 -3.4251 0.1218 0.1218 0.1224 0.1224 1.3153 1.3153 1.3156 1.3156 5.7837 5.7837 5.7838 5.7838 8.8267 8.8267 8.8268 8.8268 15.6192 15.6192 15.6204 15.6204 k = 0.2771 0.4799 0.1949 ( 5478 PWs) bands (ev): -38.3788 -38.3788 -38.3788 -38.3788 -3.5053 -3.5053 -3.5050 -3.5050 0.1736 0.1736 0.1741 0.1741 1.4041 1.4041 1.4043 1.4043 5.6835 5.6835 5.6836 5.6836 8.9471 8.9471 8.9472 8.9472 15.5556 15.5556 15.5567 15.5567 k = 0.2727 0.4724 0.1949 ( 5482 PWs) bands (ev): -38.3792 -38.3792 -38.3792 -38.3792 -3.5887 -3.5887 -3.5884 -3.5884 0.2320 0.2320 0.2325 0.2325 1.4946 1.4946 1.4948 1.4948 5.5821 5.5821 5.5821 5.5821 9.0713 9.0713 9.0713 9.0713 15.4912 15.4912 15.4923 15.4923 k = 0.2684 0.4649 0.1949 ( 5484 PWs) bands (ev): -38.3796 -38.3796 -38.3796 -38.3796 -3.6750 -3.6750 -3.6747 -3.6747 0.2966 0.2966 0.2971 0.2971 1.5866 1.5866 1.5868 1.5868 5.4797 5.4797 5.4798 5.4798 9.1990 9.1990 9.1991 9.1991 15.4263 15.4263 15.4274 15.4274 k = 0.2641 0.4574 0.1949 ( 5486 PWs) bands (ev): -38.3801 -38.3801 -38.3801 -38.3801 -3.7637 -3.7637 -3.7634 -3.7634 0.3670 0.3670 0.3674 0.3674 1.6801 1.6801 1.6803 1.6803 5.3768 5.3768 5.3768 5.3768 9.3300 9.3300 9.3301 9.3301 15.3612 15.3612 15.3623 15.3623 k = 0.2597 0.4499 0.1949 ( 5490 PWs) bands (ev): -38.3806 -38.3806 -38.3806 -38.3806 -3.8543 -3.8543 -3.8541 -3.8541 0.4426 0.4426 0.4430 0.4430 1.7749 1.7749 1.7751 1.7751 5.2736 5.2736 5.2737 5.2737 9.4641 9.4641 9.4642 9.4642 15.2962 15.2962 15.2973 15.2973 k = 0.2554 0.4424 0.1949 ( 5494 PWs) bands (ev): -38.3811 -38.3811 -38.3811 -38.3811 -3.9465 -3.9465 -3.9463 -3.9463 0.5231 0.5231 0.5235 0.5235 1.8710 1.8710 1.8712 1.8712 5.1704 5.1704 5.1705 5.1705 9.6011 9.6011 9.6012 9.6012 15.2314 15.2314 15.2325 15.2325 k = 0.2511 0.4349 0.1949 ( 5502 PWs) bands (ev): -38.3817 -38.3817 -38.3817 -38.3817 -4.0398 -4.0398 -4.0395 -4.0395 0.6081 0.6081 0.6084 0.6084 1.9683 1.9683 1.9684 1.9684 5.0676 5.0676 5.0677 5.0677 9.7409 9.7409 9.7409 9.7409 15.1671 15.1671 15.1681 15.1681 k = 0.2468 0.4274 0.1949 ( 5502 PWs) bands (ev): -38.3823 -38.3823 -38.3823 -38.3823 -4.1338 -4.1338 -4.1336 -4.1336 0.6974 0.6974 0.6976 0.6976 2.0666 2.0666 2.0667 2.0667 4.9652 4.9652 4.9653 4.9653 9.8832 9.8832 9.8833 9.8833 15.1033 15.1033 15.1044 15.1044 k = 0.2424 0.4199 0.1949 ( 5498 PWs) bands (ev): -38.3829 -38.3829 -38.3829 -38.3829 -4.2283 -4.2283 -4.2281 -4.2281 0.7905 0.7905 0.7907 0.7907 2.1658 2.1658 2.1660 2.1660 4.8636 4.8636 4.8637 4.8637 10.0280 10.0280 10.0281 10.0281 15.0403 15.0403 15.0413 15.0413 k = 0.2381 0.4124 0.1949 ( 5498 PWs) bands (ev): -38.3836 -38.3836 -38.3836 -38.3836 -4.3230 -4.3230 -4.3229 -4.3229 0.8872 0.8872 0.8874 0.8874 2.2659 2.2659 2.2660 2.2660 4.7630 4.7630 4.7631 4.7631 10.1752 10.1752 10.1753 10.1753 14.9781 14.9781 14.9791 14.9791 k = 0.2338 0.4049 0.1949 ( 5496 PWs) bands (ev): -38.3843 -38.3843 -38.3843 -38.3843 -4.4177 -4.4177 -4.4176 -4.4176 0.9874 0.9874 0.9876 0.9876 2.3665 2.3665 2.3666 2.3666 4.6636 4.6636 4.6637 4.6637 10.3246 10.3246 10.3247 10.3247 14.9169 14.9169 14.9179 14.9179 k = 0.2294 0.3974 0.1949 ( 5488 PWs) bands (ev): -38.3850 -38.3850 -38.3850 -38.3850 -4.5121 -4.5121 -4.5120 -4.5120 1.0907 1.0907 1.0909 1.0909 2.4675 2.4675 2.4676 2.4676 4.5657 4.5657 4.5658 4.5658 10.4761 10.4761 10.4762 10.4762 14.8567 14.8567 14.8577 14.8577 k = 0.2251 0.3899 0.1949 ( 5486 PWs) bands (ev): -38.3858 -38.3858 -38.3858 -38.3858 -4.6061 -4.6061 -4.6060 -4.6060 1.1970 1.1970 1.1971 1.1971 2.5686 2.5686 2.5687 2.5687 4.4697 4.4697 4.4698 4.4698 10.6296 10.6296 10.6296 10.6296 14.7976 14.7976 14.7987 14.7987 k = 0.2208 0.3824 0.1949 ( 5494 PWs) bands (ev): -38.3866 -38.3866 -38.3866 -38.3866 -4.6995 -4.6995 -4.6994 -4.6994 1.3061 1.3061 1.3062 1.3062 2.6694 2.6694 2.6696 2.6696 4.3760 4.3760 4.3761 4.3761 10.7849 10.7849 10.7849 10.7849 14.7399 14.7399 14.7409 14.7409 k = 0.2165 0.3749 0.1949 ( 5482 PWs) bands (ev): -38.3874 -38.3874 -38.3874 -38.3874 -4.7921 -4.7921 -4.7920 -4.7920 1.4179 1.4179 1.4180 1.4180 2.7694 2.7694 2.7695 2.7695 4.2852 4.2852 4.2853 4.2853 10.9419 10.9419 10.9419 10.9419 14.6835 14.6835 14.6845 14.6845 k = 0.2121 0.3674 0.1949 ( 5482 PWs) bands (ev): -38.3882 -38.3882 -38.3882 -38.3882 -4.8839 -4.8839 -4.8838 -4.8838 1.5321 1.5321 1.5322 1.5322 2.8676 2.8676 2.8678 2.8678 4.1981 4.1981 4.1982 4.1982 11.1005 11.1005 11.1005 11.1005 14.6286 14.6286 14.6296 14.6296 k = 0.2078 0.3599 0.1949 ( 5478 PWs) bands (ev): -38.3891 -38.3891 -38.3891 -38.3891 -4.9746 -4.9746 -4.9745 -4.9745 1.6487 1.6487 1.6488 1.6488 2.9629 2.9629 2.9631 2.9631 4.1160 4.1160 4.1162 4.1162 11.2604 11.2604 11.2604 11.2604 14.5753 14.5753 14.5763 14.5763 k = 0.2035 0.3524 0.1949 ( 5482 PWs) bands (ev): -38.3899 -38.3899 -38.3899 -38.3899 -5.0642 -5.0642 -5.0642 -5.0642 1.7675 1.7675 1.7676 1.7676 3.0531 3.0531 3.0533 3.0533 4.0411 4.0411 4.0413 4.0413 11.4214 11.4214 11.4215 11.4215 14.5238 14.5238 14.5248 14.5248 k = 0.1991 0.3449 0.1949 ( 5486 PWs) bands (ev): -38.3908 -38.3908 -38.3908 -38.3908 -5.1527 -5.1527 -5.1526 -5.1526 1.8884 1.8884 1.8885 1.8885 3.1349 3.1349 3.1351 3.1351 3.9767 3.9767 3.9769 3.9769 11.5834 11.5834 11.5835 11.5835 14.4742 14.4742 14.4752 14.4752 k = 0.1948 0.3374 0.1949 ( 5486 PWs) bands (ev): -38.3918 -38.3918 -38.3918 -38.3918 -5.2399 -5.2399 -5.2398 -5.2398 2.0113 2.0113 2.0113 2.0113 3.2026 3.2026 3.2029 3.2029 3.9283 3.9283 3.9285 3.9285 11.7461 11.7461 11.7461 11.7461 14.4268 14.4268 14.4278 14.4278 k = 0.1905 0.3299 0.1949 ( 5476 PWs) bands (ev): -38.3927 -38.3927 -38.3927 -38.3927 -5.3257 -5.3257 -5.3256 -5.3256 2.1359 2.1359 2.1360 2.1360 3.2488 3.2488 3.2490 3.2490 3.9037 3.9037 3.9039 3.9039 11.9090 11.9090 11.9090 11.9090 14.3819 14.3819 14.3828 14.3828 k = 0.1861 0.3224 0.1949 ( 5480 PWs) bands (ev): -38.3937 -38.3937 -38.3937 -38.3937 -5.4101 -5.4101 -5.4100 -5.4100 2.2623 2.2623 2.2624 2.2624 3.2662 3.2662 3.2665 3.2665 3.9098 3.9098 3.9100 3.9100 12.0717 12.0717 12.0717 12.0717 14.3397 14.3397 14.3406 14.3406 k = 0.1818 0.3149 0.1949 ( 5482 PWs) bands (ev): -38.3947 -38.3947 -38.3947 -38.3947 -5.4930 -5.4930 -5.4929 -5.4929 2.3901 2.3901 2.3902 2.3902 3.2541 3.2541 3.2544 3.2544 3.9475 3.9475 3.9477 3.9477 12.2337 12.2337 12.2337 12.2337 14.3009 14.3009 14.3018 14.3018 k = 0.1775 0.3074 0.1949 ( 5478 PWs) bands (ev): -38.3957 -38.3957 -38.3957 -38.3957 -5.5744 -5.5744 -5.5743 -5.5743 2.5192 2.5192 2.5193 2.5193 3.2189 3.2189 3.2192 3.2192 4.0106 4.0106 4.0108 4.0108 12.3941 12.3941 12.3941 12.3941 14.2660 14.2660 14.2669 14.2669 k = 0.1732 0.2999 0.1949 ( 5486 PWs) bands (ev): -38.3967 -38.3967 -38.3967 -38.3967 -5.6542 -5.6542 -5.6541 -5.6541 2.6490 2.6490 2.6492 2.6492 3.1693 3.1693 3.1695 3.1695 4.0906 4.0906 4.0908 4.0908 12.5519 12.5519 12.5520 12.5520 14.2361 14.2361 14.2370 14.2370 k = 0.1688 0.2924 0.1949 ( 5482 PWs) bands (ev): -38.3977 -38.3977 -38.3977 -38.3977 -5.7323 -5.7323 -5.7323 -5.7323 2.7782 2.7782 2.7784 2.7784 3.1127 3.1127 3.1130 3.1130 4.1813 4.1813 4.1815 4.1815 12.7057 12.7057 12.7057 12.7057 14.2125 14.2125 14.2134 14.2134 k = 0.1645 0.2849 0.1949 ( 5484 PWs) bands (ev): -38.3987 -38.3987 -38.3987 -38.3987 -5.8088 -5.8088 -5.8088 -5.8088 2.8988 2.8988 2.8991 2.8991 3.0610 3.0610 3.0614 3.0614 4.2786 4.2786 4.2787 4.2787 12.8533 12.8533 12.8533 12.8533 14.1971 14.1971 14.1980 14.1980 k = 0.1602 0.2774 0.1949 ( 5492 PWs) bands (ev): -38.3997 -38.3997 -38.3997 -38.3997 -5.8836 -5.8836 -5.8836 -5.8836 2.9417 2.9417 2.9420 2.9420 3.0858 3.0858 3.0862 3.0862 4.3800 4.3800 4.3801 4.3801 12.9919 12.9919 12.9919 12.9919 14.1927 14.1927 14.1936 14.1936 k = 0.1558 0.2699 0.1949 ( 5492 PWs) bands (ev): -38.4008 -38.4008 -38.4008 -38.4008 -5.9567 -5.9567 -5.9567 -5.9567 2.8905 2.8905 2.8906 2.8906 3.2049 3.2049 3.2051 3.2051 4.4839 4.4839 4.4840 4.4840 13.1175 13.1175 13.1176 13.1176 14.2031 14.2031 14.2039 14.2039 k = 0.1515 0.2624 0.1949 ( 5496 PWs) bands (ev): -38.4018 -38.4018 -38.4018 -38.4018 -6.0280 -6.0280 -6.0279 -6.0279 2.8259 2.8259 2.8260 2.8260 3.3380 3.3380 3.3382 3.3382 4.5894 4.5894 4.5894 4.5894 13.2257 13.2257 13.2257 13.2257 14.2326 14.2326 14.2333 14.2333 k = 0.1472 0.2549 0.1949 ( 5498 PWs) bands (ev): -38.4029 -38.4029 -38.4029 -38.4029 -6.0975 -6.0975 -6.0974 -6.0974 2.7593 2.7593 2.7594 2.7594 3.4744 3.4744 3.4745 3.4745 4.6957 4.6957 4.6958 4.6958 13.3121 13.3121 13.3122 13.3122 14.2851 14.2851 14.2858 14.2858 k = 0.1429 0.2474 0.1949 ( 5504 PWs) bands (ev): -38.4039 -38.4039 -38.4039 -38.4039 -6.1651 -6.1651 -6.1651 -6.1651 2.6928 2.6928 2.6928 2.6928 3.6123 3.6123 3.6123 3.6123 4.8025 4.8025 4.8025 4.8025 13.3750 13.3750 13.3752 13.3752 14.3626 14.3626 14.3632 14.3632 k = 0.1385 0.2399 0.1949 ( 5506 PWs) bands (ev): -38.4050 -38.4050 -38.4050 -38.4050 -6.2310 -6.2310 -6.2309 -6.2309 2.6270 2.6270 2.6270 2.6270 3.7511 3.7511 3.7512 3.7512 4.9091 4.9091 4.9092 4.9092 13.4156 13.4156 13.4159 13.4159 14.4632 14.4632 14.4637 14.4637 k = 0.1342 0.2324 0.1949 ( 5504 PWs) bands (ev): -38.4060 -38.4060 -38.4060 -38.4060 -6.2949 -6.2949 -6.2949 -6.2949 2.5623 2.5623 2.5623 2.5623 3.8906 3.8906 3.8906 3.8906 5.0154 5.0154 5.0155 5.0155 13.4381 13.4381 13.4384 13.4384 14.5827 14.5827 14.5832 14.5832 k = 0.1299 0.2249 0.1949 ( 5504 PWs) bands (ev): -38.4070 -38.4070 -38.4070 -38.4070 -6.3570 -6.3570 -6.3570 -6.3570 2.4990 2.4990 2.4990 2.4990 4.0305 4.0305 4.0305 4.0305 5.1211 5.1211 5.1211 5.1211 13.4472 13.4472 13.4476 13.4476 14.7161 14.7161 14.7165 14.7165 k = 0.1255 0.2174 0.1949 ( 5500 PWs) bands (ev): -38.4080 -38.4080 -38.4080 -38.4080 -6.4171 -6.4171 -6.4171 -6.4171 2.4372 2.4372 2.4372 2.4372 4.1706 4.1706 4.1706 4.1706 5.2259 5.2259 5.2259 5.2259 13.4469 13.4469 13.4473 13.4473 14.8591 14.8591 14.8594 14.8594 k = 0.1212 0.2099 0.1949 ( 5500 PWs) bands (ev): -38.4090 -38.4090 -38.4090 -38.4090 -6.4754 -6.4754 -6.4754 -6.4754 2.3771 2.3771 2.3771 2.3771 4.3108 4.3108 4.3108 4.3108 5.3295 5.3295 5.3295 5.3295 13.4404 13.4404 13.4408 13.4408 15.0081 15.0081 15.0085 15.0085 k = 0.1169 0.2024 0.1949 ( 5500 PWs) bands (ev): -38.4100 -38.4100 -38.4100 -38.4100 -6.5317 -6.5317 -6.5317 -6.5317 2.3187 2.3187 2.3187 2.3187 4.4507 4.4507 4.4508 4.4508 5.4318 5.4318 5.4318 5.4318 13.4298 13.4298 13.4302 13.4302 15.1607 15.1607 15.1611 15.1611 k = 0.1126 0.1949 0.1949 ( 5500 PWs) bands (ev): -38.4110 -38.4110 -38.4110 -38.4110 -6.5860 -6.5860 -6.5860 -6.5860 2.2621 2.2621 2.2621 2.2621 4.5904 4.5904 4.5904 4.5904 5.5325 5.5325 5.5325 5.5325 13.4166 13.4166 13.4170 13.4170 15.3150 15.3150 15.3153 15.3153 k = 0.1082 0.1875 0.1949 ( 5496 PWs) bands (ev): -38.4120 -38.4120 -38.4120 -38.4120 -6.6384 -6.6384 -6.6384 -6.6384 2.2074 2.2074 2.2074 2.2074 4.7294 4.7294 4.7294 4.7294 5.6315 5.6315 5.6315 5.6315 13.4019 13.4019 13.4022 13.4022 15.4695 15.4695 15.4698 15.4698 k = 0.1039 0.1800 0.1949 ( 5500 PWs) bands (ev): -38.4129 -38.4129 -38.4129 -38.4129 -6.6888 -6.6888 -6.6888 -6.6888 2.1546 2.1546 2.1546 2.1546 4.8677 4.8677 4.8677 4.8677 5.7285 5.7285 5.7285 5.7285 13.3863 13.3863 13.3866 13.3866 15.6230 15.6230 15.6233 15.6233 k = 0.0996 0.1725 0.1949 ( 5502 PWs) bands (ev): -38.4138 -38.4138 -38.4138 -38.4138 -6.7372 -6.7372 -6.7372 -6.7372 2.1037 2.1037 2.1037 2.1037 5.0049 5.0049 5.0049 5.0049 5.8233 5.8233 5.8234 5.8234 13.3703 13.3703 13.3707 13.3707 15.7742 15.7742 15.7745 15.7745 k = 0.0952 0.1650 0.1949 ( 5508 PWs) bands (ev): -38.4147 -38.4147 -38.4147 -38.4147 -6.7837 -6.7837 -6.7837 -6.7837 2.0549 2.0549 2.0549 2.0549 5.1408 5.1408 5.1408 5.1408 5.9158 5.9158 5.9159 5.9159 13.3544 13.3544 13.3547 13.3547 15.9216 15.9216 15.9220 15.9220 k = 0.0909 0.1575 0.1949 ( 5510 PWs) bands (ev): -38.4156 -38.4156 -38.4156 -38.4156 -6.8281 -6.8281 -6.8281 -6.8281 2.0081 2.0081 2.0081 2.0081 5.2751 5.2751 5.2751 5.2751 6.0058 6.0058 6.0059 6.0059 13.3387 13.3387 13.3390 13.3390 16.0525 16.0525 16.0531 16.0531 k = 0.0866 0.1500 0.1949 ( 5502 PWs) bands (ev): -38.4165 -38.4165 -38.4165 -38.4165 -6.8705 -6.8705 -6.8705 -6.8705 1.9633 1.9633 1.9633 1.9633 5.4076 5.4076 5.4076 5.4076 6.0930 6.0930 6.0931 6.0931 13.3234 13.3234 13.3237 13.3237 16.0575 16.0575 16.0578 16.0578 k = 0.0823 0.1425 0.1949 ( 5506 PWs) bands (ev): -38.4173 -38.4173 -38.4173 -38.4173 -6.9108 -6.9108 -6.9108 -6.9108 1.9206 1.9206 1.9206 1.9206 5.5379 5.5379 5.5379 5.5379 6.1774 6.1774 6.1774 6.1774 13.3087 13.3087 13.3089 13.3089 16.0361 16.0361 16.0364 16.0364 k = 0.0779 0.1350 0.1949 ( 5518 PWs) bands (ev): -38.4181 -38.4181 -38.4181 -38.4181 -6.9492 -6.9492 -6.9492 -6.9492 1.8800 1.8800 1.8800 1.8800 5.6656 5.6656 5.6657 5.6657 6.2586 6.2586 6.2586 6.2586 13.2946 13.2946 13.2948 13.2948 16.0156 16.0156 16.0160 16.0160 k = 0.0736 0.1275 0.1949 ( 5518 PWs) bands (ev): -38.4188 -38.4188 -38.4188 -38.4188 -6.9855 -6.9855 -6.9855 -6.9855 1.8415 1.8415 1.8415 1.8415 5.7905 5.7905 5.7905 5.7905 6.3365 6.3365 6.3366 6.3366 13.2811 13.2811 13.2814 13.2814 15.9972 15.9972 15.9976 15.9976 k = 0.0693 0.1200 0.1949 ( 5518 PWs) bands (ev): -38.4195 -38.4195 -38.4195 -38.4195 -7.0197 -7.0197 -7.0197 -7.0197 1.8051 1.8051 1.8051 1.8051 5.9120 5.9120 5.9121 5.9121 6.4110 6.4110 6.4111 6.4111 13.2684 13.2684 13.2686 13.2686 15.9808 15.9808 15.9812 15.9812 k = 0.0649 0.1125 0.1949 ( 5528 PWs) bands (ev): -38.4202 -38.4202 -38.4202 -38.4202 -7.0520 -7.0520 -7.0520 -7.0520 1.7709 1.7709 1.7709 1.7709 6.0299 6.0299 6.0299 6.0299 6.4819 6.4819 6.4820 6.4820 13.2564 13.2564 13.2566 13.2566 15.9665 15.9665 15.9669 15.9669 k = 0.0606 0.1050 0.1949 ( 5524 PWs) bands (ev): -38.4209 -38.4209 -38.4209 -38.4209 -7.0821 -7.0821 -7.0821 -7.0821 1.7388 1.7388 1.7388 1.7388 6.1436 6.1436 6.1436 6.1436 6.5490 6.5490 6.5491 6.5491 13.2451 13.2451 13.2452 13.2452 15.9542 15.9542 15.9545 15.9545 k = 0.0563 0.0975 0.1949 ( 5536 PWs) bands (ev): -38.4215 -38.4215 -38.4215 -38.4215 -7.1102 -7.1102 -7.1102 -7.1102 1.7089 1.7089 1.7089 1.7089 6.2527 6.2527 6.2527 6.2527 6.6122 6.6122 6.6122 6.6122 13.2345 13.2345 13.2346 13.2346 15.9438 15.9438 15.9441 15.9441 k = 0.0519 0.0900 0.1949 ( 5542 PWs) bands (ev): -38.4221 -38.4221 -38.4221 -38.4221 -7.1362 -7.1362 -7.1362 -7.1362 1.6811 1.6811 1.6811 1.6811 6.3566 6.3566 6.3567 6.3567 6.6713 6.6713 6.6714 6.6714 13.2246 13.2246 13.2248 13.2248 15.9351 15.9351 15.9354 15.9354 k = 0.0476 0.0825 0.1949 ( 5542 PWs) bands (ev): -38.4226 -38.4226 -38.4226 -38.4226 -7.1602 -7.1602 -7.1602 -7.1602 1.6556 1.6556 1.6556 1.6556 6.4550 6.4550 6.4550 6.4550 6.7262 6.7262 6.7263 6.7263 13.2155 13.2155 13.2156 13.2156 15.9281 15.9281 15.9283 15.9283 k = 0.0433 0.0750 0.1949 ( 5546 PWs) bands (ev): -38.4231 -38.4231 -38.4231 -38.4231 -7.1821 -7.1821 -7.1821 -7.1821 1.6323 1.6323 1.6323 1.6323 6.5472 6.5472 6.5473 6.5473 6.7768 6.7768 6.7768 6.7768 13.2070 13.2070 13.2071 13.2071 15.9225 15.9225 15.9227 15.9227 k = 0.0390 0.0675 0.1949 ( 5550 PWs) bands (ev): -38.4235 -38.4235 -38.4235 -38.4235 -7.2019 -7.2019 -7.2019 -7.2019 1.6111 1.6111 1.6111 1.6111 6.6328 6.6328 6.6328 6.6328 6.8229 6.8229 6.8229 6.8229 13.1992 13.1992 13.1993 13.1993 15.9181 15.9181 15.9184 15.9184 k = 0.0346 0.0600 0.1949 ( 5550 PWs) bands (ev): -38.4239 -38.4239 -38.4239 -38.4239 -7.2196 -7.2196 -7.2196 -7.2196 1.5922 1.5922 1.5922 1.5922 6.7111 6.7111 6.7111 6.7111 6.8644 6.8644 6.8645 6.8645 13.1922 13.1922 13.1922 13.1922 15.9149 15.9149 15.9151 15.9151 k = 0.0303 0.0525 0.1949 ( 5558 PWs) bands (ev): -38.4243 -38.4243 -38.4243 -38.4243 -7.2353 -7.2353 -7.2353 -7.2353 1.5754 1.5754 1.5754 1.5754 6.7817 6.7817 6.7817 6.7817 6.9013 6.9013 6.9014 6.9014 13.1858 13.1858 13.1859 13.1859 15.9127 15.9127 15.9128 15.9128 k = 0.0260 0.0450 0.1949 ( 5554 PWs) bands (ev): -38.4246 -38.4246 -38.4246 -38.4246 -7.2489 -7.2489 -7.2489 -7.2489 1.5609 1.5609 1.5609 1.5609 6.8441 6.8441 6.8441 6.8441 6.9335 6.9335 6.9335 6.9335 13.1802 13.1802 13.1803 13.1803 15.9111 15.9112 15.9113 15.9113 k = 0.0216 0.0375 0.1949 ( 5554 PWs) bands (ev): -38.4249 -38.4249 -38.4249 -38.4249 -7.2603 -7.2603 -7.2603 -7.2603 1.5487 1.5487 1.5487 1.5487 6.8977 6.8977 6.8978 6.8978 6.9609 6.9609 6.9609 6.9609 13.1754 13.1754 13.1754 13.1754 15.9102 15.9102 15.9103 15.9103 k = 0.0173 0.0300 0.1949 ( 5562 PWs) bands (ev): -38.4251 -38.4251 -38.4251 -38.4251 -7.2697 -7.2697 -7.2697 -7.2697 1.5386 1.5386 1.5386 1.5386 6.9422 6.9422 6.9423 6.9423 6.9834 6.9834 6.9834 6.9834 13.1714 13.1714 13.1714 13.1714 15.9097 15.9097 15.9098 15.9098 k = 0.0130 0.0225 0.1949 ( 5570 PWs) bands (ev): -38.4253 -38.4253 -38.4253 -38.4253 -7.2771 -7.2771 -7.2771 -7.2771 1.5308 1.5308 1.5308 1.5308 6.9771 6.9771 6.9772 6.9772 7.0011 7.0011 7.0011 7.0011 13.1682 13.1682 13.1682 13.1682 15.9094 15.9094 15.9095 15.9095 k = 0.0087 0.0150 0.1949 ( 5574 PWs) bands (ev): -38.4254 -38.4254 -38.4254 -38.4254 -7.2823 -7.2823 -7.2823 -7.2823 1.5252 1.5252 1.5252 1.5252 7.0019 7.0019 7.0020 7.0020 7.0141 7.0141 7.0141 7.0141 13.1660 13.1660 13.1660 13.1660 15.9092 15.9092 15.9093 15.9093 k = 0.0043 0.0075 0.1949 ( 5574 PWs) bands (ev): -38.4255 -38.4255 -38.4255 -38.4255 -7.2854 -7.2854 -7.2854 -7.2854 1.5218 1.5218 1.5218 1.5218 7.0160 7.0160 7.0160 7.0160 7.0229 7.0229 7.0229 7.0229 13.1646 13.1646 13.1646 13.1646 15.9087 15.9087 15.9087 15.9088 k = 0.0000 0.0000 0.1949 ( 5576 PWs) bands (ev): -38.4255 -38.4255 -38.4255 -38.4255 -7.2865 -7.2865 -7.2865 -7.2865 1.5207 1.5207 1.5207 1.5207 7.0200 7.0200 7.0200 7.0200 7.0265 7.0265 7.0265 7.0265 13.1641 13.1641 13.1641 13.1641 15.9075 15.9075 15.9079 15.9110 k = 0.5000 0.2887 0.1949 ( 5456 PWs) bands (ev): -38.3818 -38.3818 -38.3818 -38.3818 -3.7175 -3.7175 -3.7175 -3.7175 -1.1117 -1.1117 -1.1117 -1.1117 4.1986 4.1986 4.1986 4.1986 5.1388 5.1388 5.1388 5.1388 9.1619 9.1619 9.1619 9.1619 14.0228 14.0228 14.0228 14.0228 k = 0.5000 0.2887 0.1865 ( 5456 PWs) bands (ev): -38.3819 -38.3819 -38.3817 -38.3817 -3.7298 -3.7298 -3.7052 -3.7052 -1.1171 -1.1171 -1.1061 -1.1061 4.1916 4.1916 4.2056 4.2056 5.0442 5.0442 5.2350 5.2350 9.1144 9.1144 9.2114 9.2114 13.9636 13.9636 14.0725 14.0725 k = 0.5000 0.2887 0.1780 ( 5454 PWs) bands (ev): -38.3819 -38.3819 -38.3817 -38.3817 -3.7420 -3.7420 -3.6929 -3.6929 -1.1223 -1.1223 -1.1002 -1.1002 4.1846 4.1846 4.2126 4.2126 4.9516 4.9516 5.3324 5.3324 9.0689 9.0689 9.2624 9.2624 13.8946 13.8946 14.1132 14.1132 k = 0.5000 0.2887 0.1695 ( 5454 PWs) bands (ev): -38.3820 -38.3820 -38.3816 -38.3816 -3.7541 -3.7541 -3.6806 -3.6806 -1.1273 -1.1273 -1.0942 -1.0942 4.1777 4.1777 4.2196 4.2196 4.8613 4.8613 5.4307 5.4307 9.0259 9.0259 9.3149 9.3149 13.8157 13.8157 14.1457 14.1457 k = 0.5000 0.2887 0.1610 ( 5458 PWs) bands (ev): -38.3821 -38.3821 -38.3816 -38.3816 -3.7659 -3.7659 -3.6685 -3.6685 -1.1319 -1.1319 -1.0880 -1.0880 4.1710 4.1710 4.2265 4.2265 4.7734 4.7734 5.5296 5.5296 8.9854 8.9854 9.3684 9.3684 13.7271 13.7271 14.1704 14.1704 k = 0.5000 0.2887 0.1526 ( 5464 PWs) bands (ev): -38.3821 -38.3821 -38.3815 -38.3815 -3.7774 -3.7774 -3.6565 -3.6565 -1.1363 -1.1363 -1.0816 -1.0816 4.1644 4.1644 4.2333 4.2333 4.6884 4.6884 5.6285 5.6285 8.9477 8.9477 9.4228 9.4228 13.6296 13.6296 14.1882 14.1882 k = 0.5000 0.2887 0.1441 ( 5472 PWs) bands (ev): -38.3822 -38.3822 -38.3815 -38.3815 -3.7887 -3.7887 -3.6449 -3.6449 -1.1405 -1.1405 -1.0752 -1.0752 4.1579 4.1579 4.2399 4.2399 4.6064 4.6064 5.7270 5.7270 8.9131 8.9131 9.4776 9.4776 13.5241 13.5241 14.1996 14.1996 k = 0.5000 0.2887 0.1356 ( 5478 PWs) bands (ev): -38.3822 -38.3822 -38.3814 -38.3814 -3.7996 -3.7996 -3.6335 -3.6335 -1.1443 -1.1443 -1.0687 -1.0687 4.1517 4.1517 4.2464 4.2464 4.5277 4.5277 5.8246 5.8246 8.8817 8.8817 9.5326 9.5326 13.4118 13.4118 14.2054 14.2054 k = 0.5000 0.2887 0.1271 ( 5478 PWs) bands (ev): -38.3823 -38.3823 -38.3814 -38.3814 -3.8100 -3.8100 -3.6225 -3.6225 -1.1479 -1.1479 -1.0623 -1.0623 4.1457 4.1457 4.2526 4.2526 4.4525 4.4525 5.9207 5.9207 8.8537 8.8537 9.5874 9.5874 13.2944 13.2944 14.2060 14.2060 k = 0.5000 0.2887 0.1187 ( 5478 PWs) bands (ev): -38.3823 -38.3823 -38.3813 -38.3813 -3.8200 -3.8200 -3.6119 -3.6119 -1.1512 -1.1512 -1.0558 -1.0558 4.1399 4.1399 4.2586 4.2586 4.3810 4.3810 6.0148 6.0148 8.8293 8.8293 9.6417 9.6417 13.1733 13.1733 14.2022 14.2022 k = 0.5000 0.2887 0.1102 ( 5478 PWs) bands (ev): -38.3824 -38.3824 -38.3812 -38.3812 -3.8295 -3.8295 -3.6017 -3.6017 -1.1543 -1.1543 -1.0495 -1.0495 4.1345 4.1345 4.2644 4.2644 4.3135 4.3135 6.1061 6.1061 8.8086 8.8086 9.6950 9.6950 13.0504 13.0504 14.1944 14.1944 k = 0.5000 0.2887 0.1017 ( 5484 PWs) bands (ev): -38.3825 -38.3825 -38.3812 -38.3812 -3.8385 -3.8385 -3.5921 -3.5921 -1.1571 -1.1571 -1.0433 -1.0433 4.1293 4.1293 4.2501 4.2501 4.2698 4.2698 6.1941 6.1941 8.7916 8.7916 9.7470 9.7470 12.9272 12.9272 14.1834 14.1834 k = 0.5000 0.2887 0.0932 ( 5484 PWs) bands (ev): -38.3825 -38.3825 -38.3812 -38.3812 -3.8469 -3.8469 -3.5831 -3.5831 -1.1596 -1.1596 -1.0373 -1.0373 4.1245 4.1245 4.1910 4.1910 4.2750 4.2750 6.2781 6.2781 8.7785 8.7785 9.7973 9.7973 12.8054 12.8054 14.1698 14.1698 k = 0.5000 0.2887 0.0848 ( 5488 PWs) bands (ev): -38.3826 -38.3826 -38.3811 -38.3811 -3.8547 -3.8547 -3.5747 -3.5747 -1.1619 -1.1619 -1.0316 -1.0316 4.1200 4.1200 4.1365 4.1365 4.2797 4.2797 6.3574 6.3574 8.7691 8.7691 9.8453 9.8453 12.6866 12.6866 14.1542 14.1542 k = 0.5000 0.2887 0.0763 ( 5494 PWs) bands (ev): -38.3826 -38.3826 -38.3811 -38.3811 -3.8618 -3.8618 -3.5670 -3.5670 -1.1640 -1.1640 -1.0262 -1.0262 4.0865 4.0865 4.1159 4.1159 4.2841 4.2841 6.4312 6.4312 8.7634 8.7634 9.8907 9.8907 12.5725 12.5725 14.1373 14.1373 k = 0.5000 0.2887 0.0678 ( 5486 PWs) bands (ev): -38.3826 -38.3826 -38.3810 -38.3810 -3.8682 -3.8682 -3.5599 -3.5599 -1.1658 -1.1658 -1.0212 -1.0212 4.0414 4.0414 4.1122 4.1122 4.2881 4.2881 6.4990 6.4990 8.7609 8.7609 9.9330 9.9330 12.4645 12.4645 14.1198 14.1198 k = 0.5000 0.2887 0.0593 ( 5482 PWs) bands (ev): -38.3826 -38.3826 -38.3810 -38.3810 -3.8740 -3.8740 -3.5536 -3.5536 -1.1674 -1.1674 -1.0166 -1.0166 4.0012 4.0012 4.1089 4.1089 4.2917 4.2917 6.5602 6.5602 8.7613 8.7613 9.9716 9.9716 12.3643 12.3643 14.1023 14.1023 k = 0.5000 0.2887 0.0509 ( 5478 PWs) bands (ev): -38.3827 -38.3827 -38.3810 -38.3810 -3.8790 -3.8790 -3.5481 -3.5481 -1.1687 -1.1687 -1.0125 -1.0125 3.9661 3.9661 4.1060 4.1060 4.2948 4.2948 6.6141 6.6141 8.7640 8.7640 10.0063 10.0063 12.2733 12.2733 14.0856 14.0856 k = 0.5000 0.2887 0.0424 ( 5472 PWs) bands (ev): -38.3827 -38.3827 -38.3809 -38.3809 -3.8833 -3.8833 -3.5434 -3.5434 -1.1699 -1.1699 -1.0089 -1.0089 3.9362 3.9362 4.1035 4.1035 4.2975 4.2975 6.6604 6.6604 8.7683 8.7683 10.0364 10.0364 12.1931 12.1931 14.0702 14.0702 k = 0.5000 0.2887 0.0339 ( 5474 PWs) bands (ev): -38.3827 -38.3827 -38.3809 -38.3809 -3.8869 -3.8869 -3.5395 -3.5395 -1.1708 -1.1708 -1.0060 -1.0060 3.9117 3.9117 4.1014 4.1014 4.2997 4.2997 6.6987 6.6987 8.7734 8.7734 10.0617 10.0617 12.1252 12.1252 14.0567 14.0567 k = 0.5000 0.2887 0.0254 ( 5482 PWs) bands (ev): -38.3827 -38.3827 -38.3809 -38.3809 -3.8896 -3.8896 -3.5364 -3.5364 -1.1715 -1.1715 -1.0036 -1.0036 3.8924 3.8924 4.0998 4.0998 4.3015 4.3015 6.7287 6.7287 8.7785 8.7785 10.0818 10.0818 12.0707 12.0707 14.0456 14.0456 k = 0.5000 0.2887 0.0170 ( 5486 PWs) bands (ev): -38.3828 -38.3828 -38.3809 -38.3809 -3.8916 -3.8916 -3.5342 -3.5342 -1.1720 -1.1720 -1.0019 -1.0019 3.8787 3.8787 4.0987 4.0987 4.3027 4.3027 6.7503 6.7503 8.7828 8.7828 10.0963 10.0963 12.0310 12.0310 14.0374 14.0374 k = 0.5000 0.2887 0.0085 ( 5478 PWs) bands (ev): -38.3828 -38.3828 -38.3809 -38.3809 -3.8928 -3.8928 -3.5329 -3.5329 -1.1723 -1.1723 -1.0009 -1.0009 3.8704 3.8704 4.0980 4.0980 4.3035 4.3035 6.7633 6.7633 8.7857 8.7857 10.1051 10.1051 12.0067 12.0067 14.0324 14.0324 k = 0.5000 0.2887-0.0000 ( 5486 PWs) bands (ev): -38.3828 -38.3828 -38.3809 -38.3809 -3.8932 -3.8932 -3.5325 -3.5325 -1.1724 -1.1724 -1.0005 -1.0005 3.8676 3.8676 4.0978 4.0978 4.3037 4.3037 6.7676 6.7676 8.7867 8.7867 10.1081 10.1081 11.9986 11.9986 14.0307 14.0307 k = 0.3333 0.5774-0.0000 ( 5502 PWs) bands (ev): -38.3773 -38.3773 -38.3755 -38.3755 -2.9396 -2.9396 -2.9390 -2.9390 0.1124 0.1124 0.1145 0.1145 0.4788 0.4788 0.5948 0.5948 5.8343 5.8343 5.8343 5.8343 9.2761 9.2761 9.2761 9.2761 14.0139 14.0139 14.0152 14.0152 k = 0.3333 0.5774 0.0085 ( 5490 PWs) bands (ev): -38.3773 -38.3773 -38.3755 -38.3755 -2.9395 -2.9395 -2.9389 -2.9389 0.1121 0.1121 0.1143 0.1143 0.4790 0.4790 0.5946 0.5946 5.8366 5.8366 5.8367 5.8367 9.2702 9.2702 9.2702 9.2702 14.0220 14.0220 14.0233 14.0233 k = 0.3333 0.5774 0.0170 ( 5472 PWs) bands (ev): -38.3773 -38.3773 -38.3755 -38.3755 -2.9394 -2.9394 -2.9388 -2.9388 0.1114 0.1114 0.1135 0.1135 0.4794 0.4794 0.5942 0.5942 5.8437 5.8437 5.8438 5.8438 9.2525 9.2525 9.2525 9.2525 14.0461 14.0461 14.0474 14.0474 k = 0.3333 0.5774 0.0254 ( 5475 PWs) bands (ev): -38.3773 -38.3773 -38.3755 -38.3755 -2.9392 -2.9392 -2.9386 -2.9386 0.1101 0.1101 0.1122 0.1122 0.4800 0.4800 0.5936 0.5936 5.8555 5.8555 5.8555 5.8555 9.2236 9.2236 9.2236 9.2236 14.0858 14.0858 14.0871 14.0871 k = 0.3333 0.5774 0.0339 ( 5475 PWs) bands (ev): -38.3772 -38.3772 -38.3756 -38.3756 -2.9389 -2.9389 -2.9383 -2.9383 0.1083 0.1083 0.1104 0.1104 0.4810 0.4810 0.5926 0.5926 5.8718 5.8718 5.8719 5.8719 9.1840 9.1840 9.1840 9.1840 14.1404 14.1404 14.1417 14.1417 k = 0.3333 0.5774 0.0424 ( 5475 PWs) bands (ev): -38.3772 -38.3772 -38.3756 -38.3756 -2.9385 -2.9385 -2.9379 -2.9379 0.1061 0.1061 0.1082 0.1082 0.4821 0.4821 0.5914 0.5914 5.8927 5.8927 5.8927 5.8927 9.1347 9.1347 9.1347 9.1347 14.2090 14.2090 14.2103 14.2103 k = 0.3333 0.5774 0.0509 ( 5484 PWs) bands (ev): -38.3772 -38.3772 -38.3756 -38.3756 -2.9381 -2.9381 -2.9375 -2.9375 0.1035 0.1035 0.1056 0.1056 0.4836 0.4836 0.5899 0.5899 5.9179 5.9179 5.9179 5.9179 9.0767 9.0767 9.0768 9.0768 14.2906 14.2906 14.2918 14.2918 k = 0.3333 0.5774 0.0593 ( 5490 PWs) bands (ev): -38.3772 -38.3772 -38.3756 -38.3756 -2.9375 -2.9375 -2.9369 -2.9369 0.1005 0.1005 0.1026 0.1026 0.4853 0.4853 0.5882 0.5882 5.9473 5.9473 5.9474 5.9474 9.0112 9.0112 9.0112 9.0112 14.3840 14.3840 14.3852 14.3852 k = 0.3333 0.5774 0.0678 ( 5496 PWs) bands (ev): -38.3772 -38.3772 -38.3757 -38.3757 -2.9370 -2.9370 -2.9364 -2.9364 0.0972 0.0972 0.0993 0.0993 0.4872 0.4872 0.5863 0.5863 5.9807 5.9807 5.9808 5.9808 8.9392 8.9392 8.9392 8.9392 14.4880 14.4880 14.4892 14.4892 k = 0.3333 0.5774 0.0763 ( 5490 PWs) bands (ev): -38.3771 -38.3771 -38.3757 -38.3757 -2.9364 -2.9364 -2.9358 -2.9358 0.0937 0.0937 0.0958 0.0958 0.4893 0.4893 0.5841 0.5841 6.0179 6.0179 6.0179 6.0179 8.8620 8.8620 8.8620 8.8620 14.6014 14.6014 14.6026 14.6026 k = 0.3333 0.5774 0.0848 ( 5496 PWs) bands (ev): -38.3771 -38.3771 -38.3757 -38.3757 -2.9357 -2.9357 -2.9351 -2.9351 0.0901 0.0901 0.0922 0.0922 0.4917 0.4917 0.5817 0.5817 6.0585 6.0585 6.0586 6.0586 8.7807 8.7807 8.7807 8.7807 14.7229 14.7229 14.7242 14.7242 k = 0.3333 0.5774 0.0932 ( 5490 PWs) bands (ev): -38.3771 -38.3771 -38.3758 -38.3758 -2.9351 -2.9351 -2.9345 -2.9345 0.0863 0.0863 0.0884 0.0884 0.4943 0.4943 0.5790 0.5790 6.1023 6.1023 6.1023 6.1023 8.6966 8.6966 8.6966 8.6966 14.8515 14.8515 14.8528 14.8528 k = 0.3333 0.5774 0.1017 ( 5490 PWs) bands (ev): -38.3770 -38.3770 -38.3758 -38.3758 -2.9344 -2.9344 -2.9338 -2.9338 0.0825 0.0825 0.0846 0.0846 0.4971 0.4971 0.5762 0.5762 6.1487 6.1487 6.1487 6.1487 8.6107 8.6107 8.6107 8.6107 14.9857 14.9857 14.9870 14.9870 k = 0.3333 0.5774 0.1102 ( 5490 PWs) bands (ev): -38.3770 -38.3770 -38.3759 -38.3759 -2.9337 -2.9337 -2.9332 -2.9332 0.0788 0.0788 0.0809 0.0809 0.5000 0.5000 0.5732 0.5732 6.1972 6.1972 6.1972 6.1972 8.5242 8.5242 8.5242 8.5242 15.1244 15.1244 15.1257 15.1257 k = 0.3333 0.5774 0.1187 ( 5490 PWs) bands (ev): -38.3769 -38.3769 -38.3759 -38.3759 -2.9331 -2.9331 -2.9325 -2.9325 0.0751 0.0751 0.0772 0.0772 0.5032 0.5032 0.5700 0.5700 6.2473 6.2473 6.2473 6.2473 8.4384 8.4384 8.4384 8.4384 15.2661 15.2661 15.2674 15.2674 k = 0.3333 0.5774 0.1271 ( 5490 PWs) bands (ev): -38.3769 -38.3769 -38.3760 -38.3760 -2.9325 -2.9325 -2.9319 -2.9319 0.0717 0.0717 0.0738 0.0738 0.5065 0.5065 0.5667 0.5667 6.2981 6.2981 6.2982 6.2982 8.3544 8.3544 8.3544 8.3544 15.4092 15.4092 15.4106 15.4106 k = 0.3333 0.5774 0.1356 ( 5484 PWs) bands (ev): -38.3768 -38.3768 -38.3760 -38.3760 -2.9319 -2.9319 -2.9313 -2.9313 0.0685 0.0685 0.0705 0.0705 0.5099 0.5099 0.5633 0.5633 6.3488 6.3488 6.3488 6.3488 8.2736 8.2736 8.2736 8.2736 15.5520 15.5520 15.5534 15.5534 k = 0.3333 0.5774 0.1441 ( 5484 PWs) bands (ev): -38.3767 -38.3767 -38.3761 -38.3761 -2.9314 -2.9314 -2.9308 -2.9308 0.0656 0.0656 0.0676 0.0676 0.5135 0.5135 0.5597 0.5597 6.3981 6.3981 6.3981 6.3981 8.1975 8.1975 8.1976 8.1976 15.6920 15.6920 15.6936 15.6936 k = 0.3333 0.5774 0.1526 ( 5496 PWs) bands (ev): -38.3767 -38.3767 -38.3761 -38.3761 -2.9309 -2.9309 -2.9304 -2.9304 0.0630 0.0630 0.0651 0.0651 0.5171 0.5171 0.5560 0.5560 6.4446 6.4446 6.4447 6.4447 8.1279 8.1279 8.1279 8.1279 15.8264 15.8264 15.8281 15.8281 k = 0.3333 0.5774 0.1610 ( 5508 PWs) bands (ev): -38.3766 -38.3766 -38.3762 -38.3762 -2.9306 -2.9306 -2.9300 -2.9300 0.0609 0.0609 0.0629 0.0629 0.5209 0.5209 0.5522 0.5522 6.4868 6.4868 6.4869 6.4869 8.0666 8.0666 8.0666 8.0666 15.9511 15.9511 15.9528 15.9528 k = 0.3333 0.5774 0.1695 ( 5514 PWs) bands (ev): -38.3766 -38.3766 -38.3763 -38.3763 -2.9303 -2.9303 -2.9297 -2.9297 0.0591 0.0591 0.0612 0.0612 0.5247 0.5247 0.5483 0.5483 6.5226 6.5226 6.5227 6.5227 8.0156 8.0156 8.0157 8.0157 16.0606 16.0606 16.0624 16.0624 k = 0.3333 0.5774 0.1780 ( 5508 PWs) bands (ev): -38.3765 -38.3765 -38.3763 -38.3763 -2.9300 -2.9300 -2.9294 -2.9294 0.0579 0.0579 0.0600 0.0600 0.5286 0.5286 0.5444 0.5444 6.5502 6.5502 6.5502 6.5502 7.9772 7.9772 7.9772 7.9772 16.0577 16.0577 16.0675 16.0675 k = 0.3333 0.5774 0.1865 ( 5508 PWs) bands (ev): -38.3765 -38.3765 -38.3764 -38.3764 -2.9299 -2.9299 -2.9293 -2.9293 0.0571 0.0571 0.0592 0.0592 0.5325 0.5325 0.5405 0.5405 6.5676 6.5676 6.5677 6.5677 7.9532 7.9532 7.9533 7.9533 16.0599 16.0599 16.0648 16.0648 k = 0.3333 0.5774 0.1949 ( 5520 PWs) bands (ev): -38.3764 -38.3764 -38.3764 -38.3764 -2.9298 -2.9298 -2.9293 -2.9293 0.0569 0.0569 0.0589 0.0589 0.5358 0.5358 0.5373 0.5373 6.5735 6.5735 6.5736 6.5736 7.9451 7.9451 7.9451 7.9451 16.0622 16.0622 16.0623 16.0623 Writing output data file LiBC.save init_run : 0.11s CPU 0.51s WALL ( 1 calls) electrons : 95.99s CPU 99.72s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.16s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 95.98s CPU 99.71s 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 : 0.01s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.09s CPU 0.09s WALL ( 444 calls) cegterg : 82.80s CPU 84.15s WALL ( 602 calls) Called by sum_band: Called by *egterg: h_psi : 57.74s CPU 59.04s WALL ( 9240 calls) s_psi : 1.51s CPU 1.50s WALL ( 9240 calls) g_psi : 0.22s CPU 0.20s WALL ( 8194 calls) cdiaghg : 25.20s CPU 25.56s WALL ( 8638 calls) cegterg:over : 2.97s CPU 2.93s WALL ( 8194 calls) cegterg:upda : 2.77s CPU 2.74s WALL ( 8194 calls) cegterg:last : 1.37s CPU 1.53s WALL ( 1490 calls) cdiaghg:chol : 1.25s CPU 1.42s WALL ( 8638 calls) cdiaghg:inve : 0.46s CPU 0.44s WALL ( 8638 calls) cdiaghg:para : 1.63s CPU 1.67s WALL ( 17276 calls) Called by h_psi: h_psi:vloc : 53.27s CPU 54.50s WALL ( 9240 calls) h_psi:vnl : 4.32s CPU 4.38s WALL ( 9240 calls) add_vuspsi : 1.73s CPU 1.75s WALL ( 9240 calls) General routines calbec : 2.58s CPU 2.61s WALL ( 9240 calls) fft : 0.00s CPU 0.00s WALL ( 15 calls) fftw : 50.44s CPU 51.59s WALL ( 551288 calls) davcio : 0.24s CPU 0.22s WALL ( 888 calls) Parallel routines fft_scatter : 17.86s CPU 18.12s WALL ( 551303 calls) PWSCF : 1m50.40s CPU 2m30.40s WALL This run was terminated on: 16:34: 3 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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