Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:26:56 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: ./LiBi.save/ file Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 5D 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 41 36 10 1493 1266 198 Max 42 37 11 1497 1285 203 Sum 1481 1321 385 53823 45971 7197 bravais-lattice index = 14 lattice parameter (alat) = 6.3646 a.u. unit-cell volume = 325.7934 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 457.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.364597 celldm(2)= 1.000000 celldm(3)= 1.263658 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.263658 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.791353 ) 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 Bi read from file: /users/gautes/Pseudo/Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 2a6cbf750f457e6adc9554330ec86bb0 Pseudo is Ultrasoft + core correction, Zval = 15.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1283 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Li 3.00 6.94100 Li( 1.00) Bi 15.00 208.98040 Bi( 1.00) 16 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -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 = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(14) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 440 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 2) = ( 0.0000000 0.0106383 -0.0000000), wk = 0.0022727 k( 3) = ( 0.0000000 0.0212766 -0.0000000), wk = 0.0022727 k( 4) = ( 0.0000000 0.0319149 -0.0000000), wk = 0.0022727 k( 5) = ( 0.0000000 0.0425532 -0.0000000), wk = 0.0022727 k( 6) = ( 0.0000000 0.0531915 -0.0000000), wk = 0.0022727 k( 7) = ( 0.0000000 0.0638298 -0.0000000), wk = 0.0022727 k( 8) = ( 0.0000000 0.0744681 -0.0000000), wk = 0.0022727 k( 9) = ( 0.0000000 0.0851064 -0.0000000), wk = 0.0022727 k( 10) = ( 0.0000000 0.0957447 -0.0000000), wk = 0.0022727 k( 11) = ( 0.0000000 0.1063830 -0.0000000), wk = 0.0022727 k( 12) = ( 0.0000000 0.1170213 -0.0000000), wk = 0.0022727 k( 13) = ( 0.0000000 0.1276596 -0.0000000), wk = 0.0022727 k( 14) = ( 0.0000000 0.1382979 -0.0000000), wk = 0.0022727 k( 15) = ( 0.0000000 0.1489362 -0.0000000), wk = 0.0022727 k( 16) = ( 0.0000000 0.1595745 -0.0000000), wk = 0.0022727 k( 17) = ( 0.0000000 0.1702128 -0.0000000), wk = 0.0022727 k( 18) = ( 0.0000000 0.1808511 -0.0000000), wk = 0.0022727 k( 19) = ( 0.0000000 0.1914894 -0.0000000), wk = 0.0022727 k( 20) = ( 0.0000000 0.2021277 -0.0000000), wk = 0.0022727 k( 21) = ( 0.0000000 0.2127660 -0.0000000), wk = 0.0022727 k( 22) = ( 0.0000000 0.2234043 -0.0000000), wk = 0.0022727 k( 23) = ( 0.0000000 0.2340425 -0.0000000), wk = 0.0022727 k( 24) = ( 0.0000000 0.2446809 -0.0000000), wk = 0.0022727 k( 25) = ( 0.0000000 0.2553191 -0.0000000), wk = 0.0022727 k( 26) = ( 0.0000000 0.2659574 -0.0000000), wk = 0.0022727 k( 27) = ( 0.0000000 0.2765957 -0.0000000), wk = 0.0022727 k( 28) = ( 0.0000000 0.2872340 -0.0000000), wk = 0.0022727 k( 29) = ( 0.0000000 0.2978723 -0.0000000), wk = 0.0022727 k( 30) = ( 0.0000000 0.3085106 -0.0000000), wk = 0.0022727 k( 31) = ( 0.0000000 0.3191489 -0.0000000), wk = 0.0022727 k( 32) = ( 0.0000000 0.3297872 -0.0000000), wk = 0.0022727 k( 33) = ( 0.0000000 0.3404255 -0.0000000), wk = 0.0022727 k( 34) = ( 0.0000000 0.3510638 -0.0000000), wk = 0.0022727 k( 35) = ( 0.0000000 0.3617021 -0.0000000), wk = 0.0022727 k( 36) = ( 0.0000000 0.3723404 -0.0000000), wk = 0.0022727 k( 37) = ( 0.0000000 0.3829787 -0.0000000), wk = 0.0022727 k( 38) = ( 0.0000000 0.3936170 -0.0000000), wk = 0.0022727 k( 39) = ( 0.0000000 0.4042553 -0.0000000), wk = 0.0022727 k( 40) = ( 0.0000000 0.4148936 -0.0000000), wk = 0.0022727 k( 41) = ( 0.0000000 0.4255319 -0.0000000), wk = 0.0022727 k( 42) = ( 0.0000000 0.4361702 -0.0000000), wk = 0.0022727 k( 43) = ( 0.0000000 0.4468085 -0.0000000), wk = 0.0022727 k( 44) = ( 0.0000000 0.4574468 -0.0000000), wk = 0.0022727 k( 45) = ( 0.0000000 0.4680851 -0.0000000), wk = 0.0022727 k( 46) = ( 0.0000000 0.4787234 -0.0000000), wk = 0.0022727 k( 47) = ( 0.0000000 0.4893617 -0.0000000), wk = 0.0022727 k( 48) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0022727 k( 49) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0022727 k( 50) = ( 0.0106383 0.5000000 -0.0000000), wk = 0.0022727 k( 51) = ( 0.0212766 0.5000000 -0.0000000), wk = 0.0022727 k( 52) = ( 0.0319149 0.5000000 -0.0000000), wk = 0.0022727 k( 53) = ( 0.0425532 0.5000000 -0.0000000), wk = 0.0022727 k( 54) = ( 0.0531915 0.5000000 -0.0000000), wk = 0.0022727 k( 55) = ( 0.0638298 0.5000000 -0.0000000), wk = 0.0022727 k( 56) = ( 0.0744681 0.5000000 -0.0000000), wk = 0.0022727 k( 57) = ( 0.0851064 0.5000000 -0.0000000), wk = 0.0022727 k( 58) = ( 0.0957447 0.5000000 -0.0000000), wk = 0.0022727 k( 59) = ( 0.1063830 0.5000000 -0.0000000), wk = 0.0022727 k( 60) = ( 0.1170213 0.5000000 -0.0000000), wk = 0.0022727 k( 61) = ( 0.1276596 0.5000000 -0.0000000), wk = 0.0022727 k( 62) = ( 0.1382979 0.5000000 -0.0000000), wk = 0.0022727 k( 63) = ( 0.1489362 0.5000000 -0.0000000), wk = 0.0022727 k( 64) = ( 0.1595745 0.5000000 -0.0000000), wk = 0.0022727 k( 65) = ( 0.1702128 0.5000000 -0.0000000), wk = 0.0022727 k( 66) = ( 0.1808511 0.5000000 -0.0000000), wk = 0.0022727 k( 67) = ( 0.1914894 0.5000000 -0.0000000), wk = 0.0022727 k( 68) = ( 0.2021277 0.5000000 -0.0000000), wk = 0.0022727 k( 69) = ( 0.2127660 0.5000000 -0.0000000), wk = 0.0022727 k( 70) = ( 0.2234043 0.5000000 -0.0000000), wk = 0.0022727 k( 71) = ( 0.2340425 0.5000000 -0.0000000), wk = 0.0022727 k( 72) = ( 0.2446809 0.5000000 -0.0000000), wk = 0.0022727 k( 73) = ( 0.2553191 0.5000000 -0.0000000), wk = 0.0022727 k( 74) = ( 0.2659574 0.5000000 -0.0000000), wk = 0.0022727 k( 75) = ( 0.2765957 0.5000000 -0.0000000), wk = 0.0022727 k( 76) = ( 0.2872340 0.5000000 -0.0000000), wk = 0.0022727 k( 77) = ( 0.2978723 0.5000000 -0.0000000), wk = 0.0022727 k( 78) = ( 0.3085106 0.5000000 -0.0000000), wk = 0.0022727 k( 79) = ( 0.3191489 0.5000000 -0.0000000), wk = 0.0022727 k( 80) = ( 0.3297872 0.5000000 -0.0000000), wk = 0.0022727 k( 81) = ( 0.3404255 0.5000000 -0.0000000), wk = 0.0022727 k( 82) = ( 0.3510638 0.5000000 -0.0000000), wk = 0.0022727 k( 83) = ( 0.3617021 0.5000000 -0.0000000), wk = 0.0022727 k( 84) = ( 0.3723404 0.5000000 -0.0000000), wk = 0.0022727 k( 85) = ( 0.3829787 0.5000000 -0.0000000), wk = 0.0022727 k( 86) = ( 0.3936170 0.5000000 -0.0000000), wk = 0.0022727 k( 87) = ( 0.4042553 0.5000000 -0.0000000), wk = 0.0022727 k( 88) = ( 0.4148936 0.5000000 -0.0000000), wk = 0.0022727 k( 89) = ( 0.4255319 0.5000000 -0.0000000), wk = 0.0022727 k( 90) = ( 0.4361702 0.5000000 -0.0000000), wk = 0.0022727 k( 91) = ( 0.4468085 0.5000000 -0.0000000), wk = 0.0022727 k( 92) = ( 0.4574468 0.5000000 -0.0000000), wk = 0.0022727 k( 93) = ( 0.4680851 0.5000000 -0.0000000), wk = 0.0022727 k( 94) = ( 0.4787234 0.5000000 -0.0000000), wk = 0.0022727 k( 95) = ( 0.4893617 0.5000000 -0.0000000), wk = 0.0022727 k( 96) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0022727 k( 97) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0022727 k( 98) = ( 0.4924242 0.4924242 -0.0000000), wk = 0.0022727 k( 99) = ( 0.4848485 0.4848485 -0.0000000), wk = 0.0022727 k( 100) = ( 0.4772727 0.4772727 -0.0000000), wk = 0.0022727 k( 101) = ( 0.4696970 0.4696970 -0.0000000), wk = 0.0022727 k( 102) = ( 0.4621212 0.4621212 -0.0000000), wk = 0.0022727 k( 103) = ( 0.4545455 0.4545454 -0.0000000), wk = 0.0022727 k( 104) = ( 0.4469697 0.4469697 -0.0000000), wk = 0.0022727 k( 105) = ( 0.4393939 0.4393939 -0.0000000), wk = 0.0022727 k( 106) = ( 0.4318182 0.4318182 -0.0000000), wk = 0.0022727 k( 107) = ( 0.4242424 0.4242424 -0.0000000), wk = 0.0022727 k( 108) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0022727 k( 109) = ( 0.4090909 0.4090909 -0.0000000), wk = 0.0022727 k( 110) = ( 0.4015151 0.4015151 -0.0000000), wk = 0.0022727 k( 111) = ( 0.3939394 0.3939394 -0.0000000), wk = 0.0022727 k( 112) = ( 0.3863636 0.3863636 -0.0000000), wk = 0.0022727 k( 113) = ( 0.3787879 0.3787879 -0.0000000), wk = 0.0022727 k( 114) = ( 0.3712121 0.3712121 -0.0000000), wk = 0.0022727 k( 115) = ( 0.3636364 0.3636364 -0.0000000), wk = 0.0022727 k( 116) = ( 0.3560606 0.3560606 -0.0000000), wk = 0.0022727 k( 117) = ( 0.3484849 0.3484848 -0.0000000), wk = 0.0022727 k( 118) = ( 0.3409091 0.3409091 -0.0000000), wk = 0.0022727 k( 119) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0022727 k( 120) = ( 0.3257576 0.3257576 -0.0000000), wk = 0.0022727 k( 121) = ( 0.3181818 0.3181818 -0.0000000), wk = 0.0022727 k( 122) = ( 0.3106061 0.3106061 -0.0000000), wk = 0.0022727 k( 123) = ( 0.3030303 0.3030303 -0.0000000), wk = 0.0022727 k( 124) = ( 0.2954545 0.2954545 -0.0000000), wk = 0.0022727 k( 125) = ( 0.2878788 0.2878788 -0.0000000), wk = 0.0022727 k( 126) = ( 0.2803030 0.2803030 -0.0000000), wk = 0.0022727 k( 127) = ( 0.2727273 0.2727273 -0.0000000), wk = 0.0022727 k( 128) = ( 0.2651515 0.2651515 -0.0000000), wk = 0.0022727 k( 129) = ( 0.2575758 0.2575758 -0.0000000), wk = 0.0022727 k( 130) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0022727 k( 131) = ( 0.2424242 0.2424242 -0.0000000), wk = 0.0022727 k( 132) = ( 0.2348485 0.2348485 -0.0000000), wk = 0.0022727 k( 133) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0022727 k( 134) = ( 0.2196970 0.2196970 -0.0000000), wk = 0.0022727 k( 135) = ( 0.2121212 0.2121212 -0.0000000), wk = 0.0022727 k( 136) = ( 0.2045454 0.2045454 -0.0000000), wk = 0.0022727 k( 137) = ( 0.1969697 0.1969697 -0.0000000), wk = 0.0022727 k( 138) = ( 0.1893939 0.1893939 -0.0000000), wk = 0.0022727 k( 139) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0022727 k( 140) = ( 0.1742424 0.1742424 -0.0000000), wk = 0.0022727 k( 141) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0022727 k( 142) = ( 0.1590909 0.1590909 -0.0000000), wk = 0.0022727 k( 143) = ( 0.1515151 0.1515151 -0.0000000), wk = 0.0022727 k( 144) = ( 0.1439394 0.1439394 -0.0000000), wk = 0.0022727 k( 145) = ( 0.1363636 0.1363636 -0.0000000), wk = 0.0022727 k( 146) = ( 0.1287879 0.1287879 -0.0000000), wk = 0.0022727 k( 147) = ( 0.1212121 0.1212121 -0.0000000), wk = 0.0022727 k( 148) = ( 0.1136364 0.1136364 -0.0000000), wk = 0.0022727 k( 149) = ( 0.1060606 0.1060606 -0.0000000), wk = 0.0022727 k( 150) = ( 0.0984848 0.0984848 -0.0000000), wk = 0.0022727 k( 151) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0022727 k( 152) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0022727 k( 153) = ( 0.0757576 0.0757576 -0.0000000), wk = 0.0022727 k( 154) = ( 0.0681818 0.0681818 -0.0000000), wk = 0.0022727 k( 155) = ( 0.0606061 0.0606061 -0.0000000), wk = 0.0022727 k( 156) = ( 0.0530303 0.0530303 -0.0000000), wk = 0.0022727 k( 157) = ( 0.0454546 0.0454545 -0.0000000), wk = 0.0022727 k( 158) = ( 0.0378788 0.0378788 -0.0000000), wk = 0.0022727 k( 159) = ( 0.0303030 0.0303030 -0.0000000), wk = 0.0022727 k( 160) = ( 0.0227273 0.0227273 -0.0000000), wk = 0.0022727 k( 161) = ( 0.0151515 0.0151515 -0.0000000), wk = 0.0022727 k( 162) = ( 0.0075758 0.0075758 -0.0000000), wk = 0.0022727 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 164) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 165) = ( 0.0000000 0.0000000 0.0106940), wk = 0.0022727 k( 166) = ( 0.0000000 0.0000000 0.0213879), wk = 0.0022727 k( 167) = ( 0.0000000 0.0000000 0.0320819), wk = 0.0022727 k( 168) = ( 0.0000000 0.0000000 0.0427759), wk = 0.0022727 k( 169) = ( 0.0000000 0.0000000 0.0534698), wk = 0.0022727 k( 170) = ( 0.0000000 0.0000000 0.0641638), wk = 0.0022727 k( 171) = ( 0.0000000 0.0000000 0.0748577), wk = 0.0022727 k( 172) = ( 0.0000000 0.0000000 0.0855517), wk = 0.0022727 k( 173) = ( 0.0000000 0.0000000 0.0962457), wk = 0.0022727 k( 174) = ( 0.0000000 0.0000000 0.1069397), wk = 0.0022727 k( 175) = ( 0.0000000 0.0000000 0.1176336), wk = 0.0022727 k( 176) = ( 0.0000000 0.0000000 0.1283276), wk = 0.0022727 k( 177) = ( 0.0000000 0.0000000 0.1390215), wk = 0.0022727 k( 178) = ( 0.0000000 0.0000000 0.1497155), wk = 0.0022727 k( 179) = ( 0.0000000 0.0000000 0.1604095), wk = 0.0022727 k( 180) = ( 0.0000000 0.0000000 0.1711034), wk = 0.0022727 k( 181) = ( 0.0000000 0.0000000 0.1817974), wk = 0.0022727 k( 182) = ( 0.0000000 0.0000000 0.1924914), wk = 0.0022727 k( 183) = ( 0.0000000 0.0000000 0.2031853), wk = 0.0022727 k( 184) = ( 0.0000000 0.0000000 0.2138793), wk = 0.0022727 k( 185) = ( 0.0000000 0.0000000 0.2245733), wk = 0.0022727 k( 186) = ( 0.0000000 0.0000000 0.2352672), wk = 0.0022727 k( 187) = ( 0.0000000 0.0000000 0.2459612), wk = 0.0022727 k( 188) = ( 0.0000000 0.0000000 0.2566551), wk = 0.0022727 k( 189) = ( 0.0000000 0.0000000 0.2673491), wk = 0.0022727 k( 190) = ( 0.0000000 0.0000000 0.2780431), wk = 0.0022727 k( 191) = ( 0.0000000 0.0000000 0.2887370), wk = 0.0022727 k( 192) = ( 0.0000000 0.0000000 0.2994310), wk = 0.0022727 k( 193) = ( 0.0000000 0.0000000 0.3101250), wk = 0.0022727 k( 194) = ( 0.0000000 0.0000000 0.3208189), wk = 0.0022727 k( 195) = ( 0.0000000 0.0000000 0.3315129), wk = 0.0022727 k( 196) = ( 0.0000000 0.0000000 0.3422069), wk = 0.0022727 k( 197) = ( 0.0000000 0.0000000 0.3529008), wk = 0.0022727 k( 198) = ( 0.0000000 0.0000000 0.3635948), wk = 0.0022727 k( 199) = ( 0.0000000 0.0000000 0.3742888), wk = 0.0022727 k( 200) = ( 0.0000000 0.0000000 0.3849827), wk = 0.0022727 k( 201) = ( 0.0000000 0.0000000 0.3956767), wk = 0.0022727 k( 202) = ( 0.0000000 0.0000000 0.3956767), wk = 0.0022727 k( 203) = ( 0.0000000 0.0106383 0.3956767), wk = 0.0022727 k( 204) = ( 0.0000000 0.0212766 0.3956767), wk = 0.0022727 k( 205) = ( 0.0000000 0.0319149 0.3956767), wk = 0.0022727 k( 206) = ( 0.0000000 0.0425532 0.3956767), wk = 0.0022727 k( 207) = ( 0.0000000 0.0531915 0.3956767), wk = 0.0022727 k( 208) = ( 0.0000000 0.0638298 0.3956767), wk = 0.0022727 k( 209) = ( 0.0000000 0.0744681 0.3956767), wk = 0.0022727 k( 210) = ( 0.0000000 0.0851064 0.3956767), wk = 0.0022727 k( 211) = ( 0.0000000 0.0957447 0.3956767), wk = 0.0022727 k( 212) = ( 0.0000000 0.1063830 0.3956767), wk = 0.0022727 k( 213) = ( 0.0000000 0.1170213 0.3956767), wk = 0.0022727 k( 214) = ( 0.0000000 0.1276596 0.3956767), wk = 0.0022727 k( 215) = ( 0.0000000 0.1382979 0.3956767), wk = 0.0022727 k( 216) = ( 0.0000000 0.1489362 0.3956767), wk = 0.0022727 k( 217) = ( 0.0000000 0.1595745 0.3956767), wk = 0.0022727 k( 218) = ( 0.0000000 0.1702128 0.3956767), wk = 0.0022727 k( 219) = ( 0.0000000 0.1808511 0.3956767), wk = 0.0022727 k( 220) = ( 0.0000000 0.1914894 0.3956767), wk = 0.0022727 k( 221) = ( 0.0000000 0.2021277 0.3956767), wk = 0.0022727 k( 222) = ( 0.0000000 0.2127660 0.3956767), wk = 0.0022727 k( 223) = ( 0.0000000 0.2234043 0.3956767), wk = 0.0022727 k( 224) = ( 0.0000000 0.2340425 0.3956767), wk = 0.0022727 k( 225) = ( 0.0000000 0.2446809 0.3956767), wk = 0.0022727 k( 226) = ( 0.0000000 0.2553191 0.3956767), wk = 0.0022727 k( 227) = ( 0.0000000 0.2659574 0.3956767), wk = 0.0022727 k( 228) = ( 0.0000000 0.2765957 0.3956767), wk = 0.0022727 k( 229) = ( 0.0000000 0.2872340 0.3956767), wk = 0.0022727 k( 230) = ( 0.0000000 0.2978723 0.3956767), wk = 0.0022727 k( 231) = ( 0.0000000 0.3085106 0.3956767), wk = 0.0022727 k( 232) = ( 0.0000000 0.3191489 0.3956767), wk = 0.0022727 k( 233) = ( 0.0000000 0.3297872 0.3956767), wk = 0.0022727 k( 234) = ( 0.0000000 0.3404255 0.3956767), wk = 0.0022727 k( 235) = ( 0.0000000 0.3510638 0.3956767), wk = 0.0022727 k( 236) = ( 0.0000000 0.3617021 0.3956767), wk = 0.0022727 k( 237) = ( 0.0000000 0.3723404 0.3956767), wk = 0.0022727 k( 238) = ( 0.0000000 0.3829787 0.3956767), wk = 0.0022727 k( 239) = ( 0.0000000 0.3936170 0.3956767), wk = 0.0022727 k( 240) = ( 0.0000000 0.4042553 0.3956767), wk = 0.0022727 k( 241) = ( 0.0000000 0.4148936 0.3956767), wk = 0.0022727 k( 242) = ( 0.0000000 0.4255319 0.3956767), wk = 0.0022727 k( 243) = ( 0.0000000 0.4361702 0.3956767), wk = 0.0022727 k( 244) = ( 0.0000000 0.4468085 0.3956767), wk = 0.0022727 k( 245) = ( 0.0000000 0.4574468 0.3956767), wk = 0.0022727 k( 246) = ( 0.0000000 0.4680851 0.3956767), wk = 0.0022727 k( 247) = ( 0.0000000 0.4787234 0.3956767), wk = 0.0022727 k( 248) = ( 0.0000000 0.4893617 0.3956767), wk = 0.0022727 k( 249) = ( 0.0000000 0.5000000 0.3956767), wk = 0.0022727 k( 250) = ( 0.0000000 0.5000000 0.3956767), wk = 0.0022727 k( 251) = ( 0.0106383 0.5000000 0.3956767), wk = 0.0022727 k( 252) = ( 0.0212766 0.5000000 0.3956767), wk = 0.0022727 k( 253) = ( 0.0319149 0.5000000 0.3956767), wk = 0.0022727 k( 254) = ( 0.0425532 0.5000000 0.3956767), wk = 0.0022727 k( 255) = ( 0.0531915 0.5000000 0.3956767), wk = 0.0022727 k( 256) = ( 0.0638298 0.5000000 0.3956767), wk = 0.0022727 k( 257) = ( 0.0744681 0.5000000 0.3956767), wk = 0.0022727 k( 258) = ( 0.0851064 0.5000000 0.3956767), wk = 0.0022727 k( 259) = ( 0.0957447 0.5000000 0.3956767), wk = 0.0022727 k( 260) = ( 0.1063830 0.5000000 0.3956767), wk = 0.0022727 k( 261) = ( 0.1170213 0.5000000 0.3956767), wk = 0.0022727 k( 262) = ( 0.1276596 0.5000000 0.3956767), wk = 0.0022727 k( 263) = ( 0.1382979 0.5000000 0.3956767), wk = 0.0022727 k( 264) = ( 0.1489362 0.5000000 0.3956767), wk = 0.0022727 k( 265) = ( 0.1595745 0.5000000 0.3956767), wk = 0.0022727 k( 266) = ( 0.1702128 0.5000000 0.3956767), wk = 0.0022727 k( 267) = ( 0.1808511 0.5000000 0.3956767), wk = 0.0022727 k( 268) = ( 0.1914894 0.5000000 0.3956767), wk = 0.0022727 k( 269) = ( 0.2021277 0.5000000 0.3956767), wk = 0.0022727 k( 270) = ( 0.2127660 0.5000000 0.3956767), wk = 0.0022727 k( 271) = ( 0.2234043 0.5000000 0.3956767), wk = 0.0022727 k( 272) = ( 0.2340425 0.5000000 0.3956767), wk = 0.0022727 k( 273) = ( 0.2446809 0.5000000 0.3956767), wk = 0.0022727 k( 274) = ( 0.2553191 0.5000000 0.3956767), wk = 0.0022727 k( 275) = ( 0.2659574 0.5000000 0.3956767), wk = 0.0022727 k( 276) = ( 0.2765957 0.5000000 0.3956767), wk = 0.0022727 k( 277) = ( 0.2872340 0.5000000 0.3956767), wk = 0.0022727 k( 278) = ( 0.2978723 0.5000000 0.3956767), wk = 0.0022727 k( 279) = ( 0.3085106 0.5000000 0.3956767), wk = 0.0022727 k( 280) = ( 0.3191489 0.5000000 0.3956767), wk = 0.0022727 k( 281) = ( 0.3297872 0.5000000 0.3956767), wk = 0.0022727 k( 282) = ( 0.3404255 0.5000000 0.3956767), wk = 0.0022727 k( 283) = ( 0.3510638 0.5000000 0.3956767), wk = 0.0022727 k( 284) = ( 0.3617021 0.5000000 0.3956767), wk = 0.0022727 k( 285) = ( 0.3723404 0.5000000 0.3956767), wk = 0.0022727 k( 286) = ( 0.3829787 0.5000000 0.3956767), wk = 0.0022727 k( 287) = ( 0.3936170 0.5000000 0.3956767), wk = 0.0022727 k( 288) = ( 0.4042553 0.5000000 0.3956767), wk = 0.0022727 k( 289) = ( 0.4148936 0.5000000 0.3956767), wk = 0.0022727 k( 290) = ( 0.4255319 0.5000000 0.3956767), wk = 0.0022727 k( 291) = ( 0.4361702 0.5000000 0.3956767), wk = 0.0022727 k( 292) = ( 0.4468085 0.5000000 0.3956767), wk = 0.0022727 k( 293) = ( 0.4574468 0.5000000 0.3956767), wk = 0.0022727 k( 294) = ( 0.4680851 0.5000000 0.3956767), wk = 0.0022727 k( 295) = ( 0.4787234 0.5000000 0.3956767), wk = 0.0022727 k( 296) = ( 0.4893617 0.5000000 0.3956767), wk = 0.0022727 k( 297) = ( 0.5000000 0.5000000 0.3956767), wk = 0.0022727 k( 298) = ( 0.5000000 0.5000000 0.3956767), wk = 0.0022727 k( 299) = ( 0.4924242 0.4924242 0.3956767), wk = 0.0022727 k( 300) = ( 0.4848485 0.4848485 0.3956767), wk = 0.0022727 k( 301) = ( 0.4772727 0.4772727 0.3956767), wk = 0.0022727 k( 302) = ( 0.4696970 0.4696970 0.3956767), wk = 0.0022727 k( 303) = ( 0.4621212 0.4621212 0.3956767), wk = 0.0022727 k( 304) = ( 0.4545455 0.4545454 0.3956767), wk = 0.0022727 k( 305) = ( 0.4469697 0.4469697 0.3956767), wk = 0.0022727 k( 306) = ( 0.4393939 0.4393939 0.3956767), wk = 0.0022727 k( 307) = ( 0.4318182 0.4318182 0.3956767), wk = 0.0022727 k( 308) = ( 0.4242424 0.4242424 0.3956767), wk = 0.0022727 k( 309) = ( 0.4166667 0.4166667 0.3956767), wk = 0.0022727 k( 310) = ( 0.4090909 0.4090909 0.3956767), wk = 0.0022727 k( 311) = ( 0.4015151 0.4015151 0.3956767), wk = 0.0022727 k( 312) = ( 0.3939394 0.3939394 0.3956767), wk = 0.0022727 k( 313) = ( 0.3863636 0.3863636 0.3956767), wk = 0.0022727 k( 314) = ( 0.3787879 0.3787879 0.3956767), wk = 0.0022727 k( 315) = ( 0.3712121 0.3712121 0.3956767), wk = 0.0022727 k( 316) = ( 0.3636364 0.3636364 0.3956767), wk = 0.0022727 k( 317) = ( 0.3560606 0.3560606 0.3956767), wk = 0.0022727 k( 318) = ( 0.3484849 0.3484848 0.3956767), wk = 0.0022727 k( 319) = ( 0.3409091 0.3409091 0.3956767), wk = 0.0022727 k( 320) = ( 0.3333333 0.3333333 0.3956767), wk = 0.0022727 k( 321) = ( 0.3257576 0.3257576 0.3956767), wk = 0.0022727 k( 322) = ( 0.3181818 0.3181818 0.3956767), wk = 0.0022727 k( 323) = ( 0.3106061 0.3106061 0.3956767), wk = 0.0022727 k( 324) = ( 0.3030303 0.3030303 0.3956767), wk = 0.0022727 k( 325) = ( 0.2954545 0.2954545 0.3956767), wk = 0.0022727 k( 326) = ( 0.2878788 0.2878788 0.3956767), wk = 0.0022727 k( 327) = ( 0.2803030 0.2803030 0.3956767), wk = 0.0022727 k( 328) = ( 0.2727273 0.2727273 0.3956767), wk = 0.0022727 k( 329) = ( 0.2651515 0.2651515 0.3956767), wk = 0.0022727 k( 330) = ( 0.2575758 0.2575758 0.3956767), wk = 0.0022727 k( 331) = ( 0.2500000 0.2500000 0.3956767), wk = 0.0022727 k( 332) = ( 0.2424242 0.2424242 0.3956767), wk = 0.0022727 k( 333) = ( 0.2348485 0.2348485 0.3956767), wk = 0.0022727 k( 334) = ( 0.2272727 0.2272727 0.3956767), wk = 0.0022727 k( 335) = ( 0.2196970 0.2196970 0.3956767), wk = 0.0022727 k( 336) = ( 0.2121212 0.2121212 0.3956767), wk = 0.0022727 k( 337) = ( 0.2045454 0.2045454 0.3956767), wk = 0.0022727 k( 338) = ( 0.1969697 0.1969697 0.3956767), wk = 0.0022727 k( 339) = ( 0.1893939 0.1893939 0.3956767), wk = 0.0022727 k( 340) = ( 0.1818182 0.1818182 0.3956767), wk = 0.0022727 k( 341) = ( 0.1742424 0.1742424 0.3956767), wk = 0.0022727 k( 342) = ( 0.1666667 0.1666667 0.3956767), wk = 0.0022727 k( 343) = ( 0.1590909 0.1590909 0.3956767), wk = 0.0022727 k( 344) = ( 0.1515151 0.1515151 0.3956767), wk = 0.0022727 k( 345) = ( 0.1439394 0.1439394 0.3956767), wk = 0.0022727 k( 346) = ( 0.1363636 0.1363636 0.3956767), wk = 0.0022727 k( 347) = ( 0.1287879 0.1287879 0.3956767), wk = 0.0022727 k( 348) = ( 0.1212121 0.1212121 0.3956767), wk = 0.0022727 k( 349) = ( 0.1136364 0.1136364 0.3956767), wk = 0.0022727 k( 350) = ( 0.1060606 0.1060606 0.3956767), wk = 0.0022727 k( 351) = ( 0.0984848 0.0984848 0.3956767), wk = 0.0022727 k( 352) = ( 0.0909091 0.0909091 0.3956767), wk = 0.0022727 k( 353) = ( 0.0833333 0.0833333 0.3956767), wk = 0.0022727 k( 354) = ( 0.0757576 0.0757576 0.3956767), wk = 0.0022727 k( 355) = ( 0.0681818 0.0681818 0.3956767), wk = 0.0022727 k( 356) = ( 0.0606061 0.0606061 0.3956767), wk = 0.0022727 k( 357) = ( 0.0530303 0.0530303 0.3956767), wk = 0.0022727 k( 358) = ( 0.0454546 0.0454545 0.3956767), wk = 0.0022727 k( 359) = ( 0.0378788 0.0378788 0.3956767), wk = 0.0022727 k( 360) = ( 0.0303030 0.0303030 0.3956767), wk = 0.0022727 k( 361) = ( 0.0227273 0.0227273 0.3956767), wk = 0.0022727 k( 362) = ( 0.0151515 0.0151515 0.3956767), wk = 0.0022727 k( 363) = ( 0.0075758 0.0075758 0.3956767), wk = 0.0022727 k( 364) = ( 0.0000000 0.0000000 0.3956767), wk = 0.0022727 k( 365) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0022727 k( 366) = ( 0.0000000 0.5000000 0.0106940), wk = 0.0022727 k( 367) = ( 0.0000000 0.5000000 0.0213879), wk = 0.0022727 k( 368) = ( 0.0000000 0.5000000 0.0320819), wk = 0.0022727 k( 369) = ( 0.0000000 0.5000000 0.0427759), wk = 0.0022727 k( 370) = ( 0.0000000 0.5000000 0.0534698), wk = 0.0022727 k( 371) = ( 0.0000000 0.5000000 0.0641638), wk = 0.0022727 k( 372) = ( 0.0000000 0.5000000 0.0748577), wk = 0.0022727 k( 373) = ( 0.0000000 0.5000000 0.0855517), wk = 0.0022727 k( 374) = ( 0.0000000 0.5000000 0.0962457), wk = 0.0022727 k( 375) = ( 0.0000000 0.5000000 0.1069397), wk = 0.0022727 k( 376) = ( 0.0000000 0.5000000 0.1176336), wk = 0.0022727 k( 377) = ( 0.0000000 0.5000000 0.1283276), wk = 0.0022727 k( 378) = ( 0.0000000 0.5000000 0.1390215), wk = 0.0022727 k( 379) = ( 0.0000000 0.5000000 0.1497155), wk = 0.0022727 k( 380) = ( 0.0000000 0.5000000 0.1604095), wk = 0.0022727 k( 381) = ( 0.0000000 0.5000000 0.1711034), wk = 0.0022727 k( 382) = ( 0.0000000 0.5000000 0.1817974), wk = 0.0022727 k( 383) = ( 0.0000000 0.5000000 0.1924914), wk = 0.0022727 k( 384) = ( 0.0000000 0.5000000 0.2031853), wk = 0.0022727 k( 385) = ( 0.0000000 0.5000000 0.2138793), wk = 0.0022727 k( 386) = ( 0.0000000 0.5000000 0.2245733), wk = 0.0022727 k( 387) = ( 0.0000000 0.5000000 0.2352672), wk = 0.0022727 k( 388) = ( 0.0000000 0.5000000 0.2459612), wk = 0.0022727 k( 389) = ( 0.0000000 0.5000000 0.2566551), wk = 0.0022727 k( 390) = ( 0.0000000 0.5000000 0.2673491), wk = 0.0022727 k( 391) = ( 0.0000000 0.5000000 0.2780431), wk = 0.0022727 k( 392) = ( 0.0000000 0.5000000 0.2887370), wk = 0.0022727 k( 393) = ( 0.0000000 0.5000000 0.2994310), wk = 0.0022727 k( 394) = ( 0.0000000 0.5000000 0.3101250), wk = 0.0022727 k( 395) = ( 0.0000000 0.5000000 0.3208189), wk = 0.0022727 k( 396) = ( 0.0000000 0.5000000 0.3315129), wk = 0.0022727 k( 397) = ( 0.0000000 0.5000000 0.3422069), wk = 0.0022727 k( 398) = ( 0.0000000 0.5000000 0.3529008), wk = 0.0022727 k( 399) = ( 0.0000000 0.5000000 0.3635948), wk = 0.0022727 k( 400) = ( 0.0000000 0.5000000 0.3742888), wk = 0.0022727 k( 401) = ( 0.0000000 0.5000000 0.3849827), wk = 0.0022727 k( 402) = ( 0.0000000 0.5000000 0.3956767), wk = 0.0022727 k( 403) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0022727 k( 404) = ( 0.5000000 0.5000000 0.0106940), wk = 0.0022727 k( 405) = ( 0.5000000 0.5000000 0.0213879), wk = 0.0022727 k( 406) = ( 0.5000000 0.5000000 0.0320819), wk = 0.0022727 k( 407) = ( 0.5000000 0.5000000 0.0427759), wk = 0.0022727 k( 408) = ( 0.5000000 0.5000000 0.0534698), wk = 0.0022727 k( 409) = ( 0.5000000 0.5000000 0.0641638), wk = 0.0022727 k( 410) = ( 0.5000000 0.5000000 0.0748577), wk = 0.0022727 k( 411) = ( 0.5000000 0.5000000 0.0855517), wk = 0.0022727 k( 412) = ( 0.5000000 0.5000000 0.0962457), wk = 0.0022727 k( 413) = ( 0.5000000 0.5000000 0.1069397), wk = 0.0022727 k( 414) = ( 0.5000000 0.5000000 0.1176336), wk = 0.0022727 k( 415) = ( 0.5000000 0.5000000 0.1283276), wk = 0.0022727 k( 416) = ( 0.5000000 0.5000000 0.1390215), wk = 0.0022727 k( 417) = ( 0.5000000 0.5000000 0.1497155), wk = 0.0022727 k( 418) = ( 0.5000000 0.5000000 0.1604095), wk = 0.0022727 k( 419) = ( 0.5000000 0.5000000 0.1711034), wk = 0.0022727 k( 420) = ( 0.5000000 0.5000000 0.1817974), wk = 0.0022727 k( 421) = ( 0.5000000 0.5000000 0.1924914), wk = 0.0022727 k( 422) = ( 0.5000000 0.5000000 0.2031853), wk = 0.0022727 k( 423) = ( 0.5000000 0.5000000 0.2138793), wk = 0.0022727 k( 424) = ( 0.5000000 0.5000000 0.2245733), wk = 0.0022727 k( 425) = ( 0.5000000 0.5000000 0.2352672), wk = 0.0022727 k( 426) = ( 0.5000000 0.5000000 0.2459612), wk = 0.0022727 k( 427) = ( 0.5000000 0.5000000 0.2566551), wk = 0.0022727 k( 428) = ( 0.5000000 0.5000000 0.2673491), wk = 0.0022727 k( 429) = ( 0.5000000 0.5000000 0.2780431), wk = 0.0022727 k( 430) = ( 0.5000000 0.5000000 0.2887370), wk = 0.0022727 k( 431) = ( 0.5000000 0.5000000 0.2994310), wk = 0.0022727 k( 432) = ( 0.5000000 0.5000000 0.3101250), wk = 0.0022727 k( 433) = ( 0.5000000 0.5000000 0.3208189), wk = 0.0022727 k( 434) = ( 0.5000000 0.5000000 0.3315129), wk = 0.0022727 k( 435) = ( 0.5000000 0.5000000 0.3422069), wk = 0.0022727 k( 436) = ( 0.5000000 0.5000000 0.3529008), wk = 0.0022727 k( 437) = ( 0.5000000 0.5000000 0.3635948), wk = 0.0022727 k( 438) = ( 0.5000000 0.5000000 0.3742888), wk = 0.0022727 k( 439) = ( 0.5000000 0.5000000 0.3849827), wk = 0.0022727 k( 440) = ( 0.5000000 0.5000000 0.3956767), wk = 0.0022727 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 2) = ( 0.0000000 0.0106383 -0.0000000), wk = 0.0022727 k( 3) = ( 0.0000000 0.0212766 -0.0000000), wk = 0.0022727 k( 4) = ( 0.0000000 0.0319149 0.0000000), wk = 0.0022727 k( 5) = ( 0.0000000 0.0425532 -0.0000000), wk = 0.0022727 k( 6) = ( 0.0000000 0.0531915 -0.0000000), wk = 0.0022727 k( 7) = ( 0.0000000 0.0638298 0.0000000), wk = 0.0022727 k( 8) = ( 0.0000000 0.0744681 0.0000000), wk = 0.0022727 k( 9) = ( 0.0000000 0.0851064 -0.0000000), wk = 0.0022727 k( 10) = ( 0.0000000 0.0957447 -0.0000000), wk = 0.0022727 k( 11) = ( 0.0000000 0.1063830 -0.0000000), wk = 0.0022727 k( 12) = ( 0.0000000 0.1170213 -0.0000000), wk = 0.0022727 k( 13) = ( 0.0000000 0.1276596 -0.0000000), wk = 0.0022727 k( 14) = ( 0.0000000 0.1382979 0.0000000), wk = 0.0022727 k( 15) = ( 0.0000000 0.1489362 -0.0000000), wk = 0.0022727 k( 16) = ( 0.0000000 0.1595745 0.0000000), wk = 0.0022727 k( 17) = ( 0.0000000 0.1702128 0.0000000), wk = 0.0022727 k( 18) = ( 0.0000000 0.1808511 -0.0000000), wk = 0.0022727 k( 19) = ( 0.0000000 0.1914894 -0.0000000), wk = 0.0022727 k( 20) = ( 0.0000000 0.2021277 0.0000000), wk = 0.0022727 k( 21) = ( 0.0000000 0.2127660 -0.0000000), wk = 0.0022727 k( 22) = ( 0.0000000 0.2234043 0.0000000), wk = 0.0022727 k( 23) = ( 0.0000000 0.2340425 -0.0000000), wk = 0.0022727 k( 24) = ( 0.0000000 0.2446809 -0.0000000), wk = 0.0022727 k( 25) = ( 0.0000000 0.2553191 0.0000000), wk = 0.0022727 k( 26) = ( 0.0000000 0.2659574 -0.0000000), wk = 0.0022727 k( 27) = ( 0.0000000 0.2765957 0.0000000), wk = 0.0022727 k( 28) = ( 0.0000000 0.2872340 0.0000000), wk = 0.0022727 k( 29) = ( 0.0000000 0.2978723 -0.0000000), wk = 0.0022727 k( 30) = ( 0.0000000 0.3085106 -0.0000000), wk = 0.0022727 k( 31) = ( 0.0000000 0.3191489 0.0000000), wk = 0.0022727 k( 32) = ( 0.0000000 0.3297872 0.0000000), wk = 0.0022727 k( 33) = ( 0.0000000 0.3404255 -0.0000000), wk = 0.0022727 k( 34) = ( 0.0000000 0.3510638 0.0000000), wk = 0.0022727 k( 35) = ( 0.0000000 0.3617021 0.0000000), wk = 0.0022727 k( 36) = ( 0.0000000 0.3723404 -0.0000000), wk = 0.0022727 k( 37) = ( 0.0000000 0.3829787 -0.0000000), wk = 0.0022727 k( 38) = ( 0.0000000 0.3936170 -0.0000000), wk = 0.0022727 k( 39) = ( 0.0000000 0.4042553 0.0000000), wk = 0.0022727 k( 40) = ( 0.0000000 0.4148936 -0.0000000), wk = 0.0022727 k( 41) = ( 0.0000000 0.4255319 -0.0000000), wk = 0.0022727 k( 42) = ( 0.0000000 0.4361702 -0.0000000), wk = 0.0022727 k( 43) = ( 0.0000000 0.4468085 0.0000000), wk = 0.0022727 k( 44) = ( 0.0000000 0.4574468 -0.0000000), wk = 0.0022727 k( 45) = ( 0.0000000 0.4680851 -0.0000000), wk = 0.0022727 k( 46) = ( 0.0000000 0.4787234 0.0000000), wk = 0.0022727 k( 47) = ( 0.0000000 0.4893617 -0.0000000), wk = 0.0022727 k( 48) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0022727 k( 49) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0022727 k( 50) = ( 0.0106383 0.5000000 0.0000000), wk = 0.0022727 k( 51) = ( 0.0212766 0.5000000 -0.0000000), wk = 0.0022727 k( 52) = ( 0.0319149 0.5000000 0.0000000), wk = 0.0022727 k( 53) = ( 0.0425532 0.5000000 0.0000000), wk = 0.0022727 k( 54) = ( 0.0531915 0.5000000 -0.0000000), wk = 0.0022727 k( 55) = ( 0.0638298 0.5000000 0.0000000), wk = 0.0022727 k( 56) = ( 0.0744681 0.5000000 0.0000000), wk = 0.0022727 k( 57) = ( 0.0851064 0.5000000 -0.0000000), wk = 0.0022727 k( 58) = ( 0.0957447 0.5000000 -0.0000000), wk = 0.0022727 k( 59) = ( 0.1063830 0.5000000 0.0000000), wk = 0.0022727 k( 60) = ( 0.1170213 0.5000000 0.0000000), wk = 0.0022727 k( 61) = ( 0.1276596 0.5000000 0.0000000), wk = 0.0022727 k( 62) = ( 0.1382979 0.5000000 0.0000000), wk = 0.0022727 k( 63) = ( 0.1489362 0.5000000 -0.0000000), wk = 0.0022727 k( 64) = ( 0.1595745 0.5000000 0.0000000), wk = 0.0022727 k( 65) = ( 0.1702128 0.5000000 -0.0000000), wk = 0.0022727 k( 66) = ( 0.1808511 0.5000000 0.0000000), wk = 0.0022727 k( 67) = ( 0.1914894 0.5000000 0.0000000), wk = 0.0022727 k( 68) = ( 0.2021277 0.5000000 0.0000000), wk = 0.0022727 k( 69) = ( 0.2127660 0.5000000 0.0000000), wk = 0.0022727 k( 70) = ( 0.2234043 0.5000000 0.0000000), wk = 0.0022727 k( 71) = ( 0.2340425 0.5000000 0.0000000), wk = 0.0022727 k( 72) = ( 0.2446809 0.5000000 0.0000000), wk = 0.0022727 k( 73) = ( 0.2553191 0.5000000 -0.0000000), wk = 0.0022727 k( 74) = ( 0.2659574 0.5000000 0.0000000), wk = 0.0022727 k( 75) = ( 0.2765957 0.5000000 0.0000000), wk = 0.0022727 k( 76) = ( 0.2872340 0.5000000 -0.0000000), wk = 0.0022727 k( 77) = ( 0.2978723 0.5000000 -0.0000000), wk = 0.0022727 k( 78) = ( 0.3085106 0.5000000 0.0000000), wk = 0.0022727 k( 79) = ( 0.3191489 0.5000000 -0.0000000), wk = 0.0022727 k( 80) = ( 0.3297872 0.5000000 -0.0000000), wk = 0.0022727 k( 81) = ( 0.3404255 0.5000000 -0.0000000), wk = 0.0022727 k( 82) = ( 0.3510638 0.5000000 0.0000000), wk = 0.0022727 k( 83) = ( 0.3617021 0.5000000 -0.0000000), wk = 0.0022727 k( 84) = ( 0.3723404 0.5000000 -0.0000000), wk = 0.0022727 k( 85) = ( 0.3829787 0.5000000 -0.0000000), wk = 0.0022727 k( 86) = ( 0.3936170 0.5000000 0.0000000), wk = 0.0022727 k( 87) = ( 0.4042553 0.5000000 -0.0000000), wk = 0.0022727 k( 88) = ( 0.4148936 0.5000000 -0.0000000), wk = 0.0022727 k( 89) = ( 0.4255319 0.5000000 0.0000000), wk = 0.0022727 k( 90) = ( 0.4361702 0.5000000 -0.0000000), wk = 0.0022727 k( 91) = ( 0.4468085 0.5000000 -0.0000000), wk = 0.0022727 k( 92) = ( 0.4574468 0.5000000 -0.0000000), wk = 0.0022727 k( 93) = ( 0.4680851 0.5000000 -0.0000000), wk = 0.0022727 k( 94) = ( 0.4787234 0.5000000 -0.0000000), wk = 0.0022727 k( 95) = ( 0.4893617 0.5000000 -0.0000000), wk = 0.0022727 k( 96) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0022727 k( 97) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0022727 k( 98) = ( 0.4924242 0.4924242 0.0000000), wk = 0.0022727 k( 99) = ( 0.4848485 0.4848485 0.0000000), wk = 0.0022727 k( 100) = ( 0.4772727 0.4772727 0.0000000), wk = 0.0022727 k( 101) = ( 0.4696970 0.4696970 0.0000000), wk = 0.0022727 k( 102) = ( 0.4621212 0.4621212 0.0000000), wk = 0.0022727 k( 103) = ( 0.4545455 0.4545455 0.0000000), wk = 0.0022727 k( 104) = ( 0.4469697 0.4469697 0.0000000), wk = 0.0022727 k( 105) = ( 0.4393939 0.4393939 0.0000000), wk = 0.0022727 k( 106) = ( 0.4318182 0.4318182 0.0000000), wk = 0.0022727 k( 107) = ( 0.4242424 0.4242424 -0.0000000), wk = 0.0022727 k( 108) = ( 0.4166667 0.4166667 0.0000000), wk = 0.0022727 k( 109) = ( 0.4090909 0.4090909 -0.0000000), wk = 0.0022727 k( 110) = ( 0.4015151 0.4015151 -0.0000000), wk = 0.0022727 k( 111) = ( 0.3939394 0.3939394 -0.0000000), wk = 0.0022727 k( 112) = ( 0.3863636 0.3863636 -0.0000000), wk = 0.0022727 k( 113) = ( 0.3787879 0.3787879 -0.0000000), wk = 0.0022727 k( 114) = ( 0.3712121 0.3712121 -0.0000000), wk = 0.0022727 k( 115) = ( 0.3636364 0.3636364 -0.0000000), wk = 0.0022727 k( 116) = ( 0.3560606 0.3560606 -0.0000000), wk = 0.0022727 k( 117) = ( 0.3484849 0.3484849 -0.0000000), wk = 0.0022727 k( 118) = ( 0.3409091 0.3409091 -0.0000000), wk = 0.0022727 k( 119) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0022727 k( 120) = ( 0.3257576 0.3257576 0.0000000), wk = 0.0022727 k( 121) = ( 0.3181818 0.3181818 0.0000000), wk = 0.0022727 k( 122) = ( 0.3106061 0.3106061 -0.0000000), wk = 0.0022727 k( 123) = ( 0.3030303 0.3030303 0.0000000), wk = 0.0022727 k( 124) = ( 0.2954545 0.2954545 -0.0000000), wk = 0.0022727 k( 125) = ( 0.2878788 0.2878788 0.0000000), wk = 0.0022727 k( 126) = ( 0.2803030 0.2803030 0.0000000), wk = 0.0022727 k( 127) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0022727 k( 128) = ( 0.2651515 0.2651515 0.0000000), wk = 0.0022727 k( 129) = ( 0.2575758 0.2575758 0.0000000), wk = 0.0022727 k( 130) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0022727 k( 131) = ( 0.2424242 0.2424242 0.0000000), wk = 0.0022727 k( 132) = ( 0.2348485 0.2348485 0.0000000), wk = 0.0022727 k( 133) = ( 0.2272727 0.2272727 0.0000000), wk = 0.0022727 k( 134) = ( 0.2196970 0.2196970 0.0000000), wk = 0.0022727 k( 135) = ( 0.2121212 0.2121212 -0.0000000), wk = 0.0022727 k( 136) = ( 0.2045454 0.2045454 -0.0000000), wk = 0.0022727 k( 137) = ( 0.1969697 0.1969697 0.0000000), wk = 0.0022727 k( 138) = ( 0.1893939 0.1893939 -0.0000000), wk = 0.0022727 k( 139) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0022727 k( 140) = ( 0.1742424 0.1742424 0.0000000), wk = 0.0022727 k( 141) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0022727 k( 142) = ( 0.1590909 0.1590909 0.0000000), wk = 0.0022727 k( 143) = ( 0.1515151 0.1515151 0.0000000), wk = 0.0022727 k( 144) = ( 0.1439394 0.1439394 -0.0000000), wk = 0.0022727 k( 145) = ( 0.1363636 0.1363636 0.0000000), wk = 0.0022727 k( 146) = ( 0.1287879 0.1287879 0.0000000), wk = 0.0022727 k( 147) = ( 0.1212121 0.1212121 0.0000000), wk = 0.0022727 k( 148) = ( 0.1136364 0.1136364 0.0000000), wk = 0.0022727 k( 149) = ( 0.1060606 0.1060606 0.0000000), wk = 0.0022727 k( 150) = ( 0.0984848 0.0984848 0.0000000), wk = 0.0022727 k( 151) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0022727 k( 152) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0022727 k( 153) = ( 0.0757576 0.0757576 -0.0000000), wk = 0.0022727 k( 154) = ( 0.0681818 0.0681818 0.0000000), wk = 0.0022727 k( 155) = ( 0.0606061 0.0606061 0.0000000), wk = 0.0022727 k( 156) = ( 0.0530303 0.0530303 -0.0000000), wk = 0.0022727 k( 157) = ( 0.0454546 0.0454546 -0.0000000), wk = 0.0022727 k( 158) = ( 0.0378788 0.0378788 -0.0000000), wk = 0.0022727 k( 159) = ( 0.0303030 0.0303030 0.0000000), wk = 0.0022727 k( 160) = ( 0.0227273 0.0227273 -0.0000000), wk = 0.0022727 k( 161) = ( 0.0151515 0.0151515 0.0000000), wk = 0.0022727 k( 162) = ( 0.0075758 0.0075758 0.0000000), wk = 0.0022727 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 164) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022727 k( 165) = ( 0.0000000 0.0000000 0.0135135), wk = 0.0022727 k( 166) = ( 0.0000000 0.0000000 0.0270270), wk = 0.0022727 k( 167) = ( 0.0000000 0.0000000 0.0405405), wk = 0.0022727 k( 168) = ( 0.0000000 0.0000000 0.0540540), wk = 0.0022727 k( 169) = ( 0.0000000 0.0000000 0.0675676), wk = 0.0022727 k( 170) = ( 0.0000000 0.0000000 0.0810811), wk = 0.0022727 k( 171) = ( 0.0000000 0.0000000 0.0945946), wk = 0.0022727 k( 172) = ( 0.0000000 0.0000000 0.1081081), wk = 0.0022727 k( 173) = ( 0.0000000 0.0000000 0.1216216), wk = 0.0022727 k( 174) = ( 0.0000000 0.0000000 0.1351351), wk = 0.0022727 k( 175) = ( 0.0000000 0.0000000 0.1486486), wk = 0.0022727 k( 176) = ( 0.0000000 0.0000000 0.1621622), wk = 0.0022727 k( 177) = ( 0.0000000 0.0000000 0.1756757), wk = 0.0022727 k( 178) = ( 0.0000000 0.0000000 0.1891892), wk = 0.0022727 k( 179) = ( 0.0000000 0.0000000 0.2027027), wk = 0.0022727 k( 180) = ( 0.0000000 0.0000000 0.2162162), wk = 0.0022727 k( 181) = ( 0.0000000 0.0000000 0.2297297), wk = 0.0022727 k( 182) = ( 0.0000000 0.0000000 0.2432432), wk = 0.0022727 k( 183) = ( 0.0000000 0.0000000 0.2567568), wk = 0.0022727 k( 184) = ( 0.0000000 0.0000000 0.2702703), wk = 0.0022727 k( 185) = ( 0.0000000 0.0000000 0.2837838), wk = 0.0022727 k( 186) = ( 0.0000000 0.0000000 0.2972973), wk = 0.0022727 k( 187) = ( 0.0000000 0.0000000 0.3108108), wk = 0.0022727 k( 188) = ( 0.0000000 0.0000000 0.3243243), wk = 0.0022727 k( 189) = ( 0.0000000 0.0000000 0.3378378), wk = 0.0022727 k( 190) = ( 0.0000000 0.0000000 0.3513514), wk = 0.0022727 k( 191) = ( 0.0000000 0.0000000 0.3648649), wk = 0.0022727 k( 192) = ( 0.0000000 0.0000000 0.3783784), wk = 0.0022727 k( 193) = ( 0.0000000 0.0000000 0.3918919), wk = 0.0022727 k( 194) = ( 0.0000000 0.0000000 0.4054054), wk = 0.0022727 k( 195) = ( 0.0000000 0.0000000 0.4189189), wk = 0.0022727 k( 196) = ( 0.0000000 0.0000000 0.4324324), wk = 0.0022727 k( 197) = ( 0.0000000 0.0000000 0.4459459), wk = 0.0022727 k( 198) = ( 0.0000000 0.0000000 0.4594595), wk = 0.0022727 k( 199) = ( 0.0000000 0.0000000 0.4729730), wk = 0.0022727 k( 200) = ( 0.0000000 0.0000000 0.4864865), wk = 0.0022727 k( 201) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022727 k( 202) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022727 k( 203) = ( 0.0000000 0.0106383 0.5000000), wk = 0.0022727 k( 204) = ( 0.0000000 0.0212766 0.5000000), wk = 0.0022727 k( 205) = ( 0.0000000 0.0319149 0.5000000), wk = 0.0022727 k( 206) = ( 0.0000000 0.0425532 0.5000000), wk = 0.0022727 k( 207) = ( 0.0000000 0.0531915 0.5000000), wk = 0.0022727 k( 208) = ( 0.0000000 0.0638298 0.5000000), wk = 0.0022727 k( 209) = ( 0.0000000 0.0744681 0.5000000), wk = 0.0022727 k( 210) = ( 0.0000000 0.0851064 0.5000000), wk = 0.0022727 k( 211) = ( 0.0000000 0.0957447 0.5000000), wk = 0.0022727 k( 212) = ( 0.0000000 0.1063830 0.5000000), wk = 0.0022727 k( 213) = ( 0.0000000 0.1170213 0.5000000), wk = 0.0022727 k( 214) = ( 0.0000000 0.1276596 0.5000000), wk = 0.0022727 k( 215) = ( 0.0000000 0.1382979 0.5000000), wk = 0.0022727 k( 216) = ( 0.0000000 0.1489362 0.5000000), wk = 0.0022727 k( 217) = ( 0.0000000 0.1595745 0.5000000), wk = 0.0022727 k( 218) = ( 0.0000000 0.1702128 0.5000000), wk = 0.0022727 k( 219) = ( 0.0000000 0.1808511 0.5000000), wk = 0.0022727 k( 220) = ( 0.0000000 0.1914894 0.5000000), wk = 0.0022727 k( 221) = ( 0.0000000 0.2021277 0.5000000), wk = 0.0022727 k( 222) = ( 0.0000000 0.2127660 0.5000000), wk = 0.0022727 k( 223) = ( 0.0000000 0.2234043 0.5000000), wk = 0.0022727 k( 224) = ( 0.0000000 0.2340425 0.5000000), wk = 0.0022727 k( 225) = ( 0.0000000 0.2446809 0.5000000), wk = 0.0022727 k( 226) = ( 0.0000000 0.2553191 0.5000000), wk = 0.0022727 k( 227) = ( 0.0000000 0.2659574 0.5000000), wk = 0.0022727 k( 228) = ( 0.0000000 0.2765957 0.5000000), wk = 0.0022727 k( 229) = ( 0.0000000 0.2872340 0.5000000), wk = 0.0022727 k( 230) = ( 0.0000000 0.2978723 0.5000000), wk = 0.0022727 k( 231) = ( 0.0000000 0.3085106 0.5000000), wk = 0.0022727 k( 232) = ( 0.0000000 0.3191489 0.5000000), wk = 0.0022727 k( 233) = ( 0.0000000 0.3297872 0.5000000), wk = 0.0022727 k( 234) = ( 0.0000000 0.3404255 0.5000000), wk = 0.0022727 k( 235) = ( 0.0000000 0.3510638 0.5000000), wk = 0.0022727 k( 236) = ( 0.0000000 0.3617021 0.5000000), wk = 0.0022727 k( 237) = ( 0.0000000 0.3723404 0.5000000), wk = 0.0022727 k( 238) = ( 0.0000000 0.3829787 0.5000000), wk = 0.0022727 k( 239) = ( 0.0000000 0.3936170 0.5000000), wk = 0.0022727 k( 240) = ( 0.0000000 0.4042553 0.5000000), wk = 0.0022727 k( 241) = ( 0.0000000 0.4148936 0.5000000), wk = 0.0022727 k( 242) = ( 0.0000000 0.4255319 0.5000000), wk = 0.0022727 k( 243) = ( 0.0000000 0.4361702 0.5000000), wk = 0.0022727 k( 244) = ( 0.0000000 0.4468085 0.5000000), wk = 0.0022727 k( 245) = ( 0.0000000 0.4574468 0.5000000), wk = 0.0022727 k( 246) = ( 0.0000000 0.4680851 0.5000000), wk = 0.0022727 k( 247) = ( 0.0000000 0.4787234 0.5000000), wk = 0.0022727 k( 248) = ( 0.0000000 0.4893617 0.5000000), wk = 0.0022727 k( 249) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022727 k( 250) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022727 k( 251) = ( 0.0106383 0.5000000 0.5000000), wk = 0.0022727 k( 252) = ( 0.0212766 0.5000000 0.5000000), wk = 0.0022727 k( 253) = ( 0.0319149 0.5000000 0.5000000), wk = 0.0022727 k( 254) = ( 0.0425532 0.5000000 0.5000000), wk = 0.0022727 k( 255) = ( 0.0531915 0.5000000 0.5000000), wk = 0.0022727 k( 256) = ( 0.0638298 0.5000000 0.5000000), wk = 0.0022727 k( 257) = ( 0.0744681 0.5000000 0.5000000), wk = 0.0022727 k( 258) = ( 0.0851064 0.5000000 0.5000000), wk = 0.0022727 k( 259) = ( 0.0957447 0.5000000 0.5000000), wk = 0.0022727 k( 260) = ( 0.1063830 0.5000000 0.5000000), wk = 0.0022727 k( 261) = ( 0.1170213 0.5000000 0.5000000), wk = 0.0022727 k( 262) = ( 0.1276596 0.5000000 0.5000000), wk = 0.0022727 k( 263) = ( 0.1382979 0.5000000 0.5000000), wk = 0.0022727 k( 264) = ( 0.1489362 0.5000000 0.5000000), wk = 0.0022727 k( 265) = ( 0.1595745 0.5000000 0.5000000), wk = 0.0022727 k( 266) = ( 0.1702128 0.5000000 0.5000000), wk = 0.0022727 k( 267) = ( 0.1808511 0.5000000 0.5000000), wk = 0.0022727 k( 268) = ( 0.1914894 0.5000000 0.5000000), wk = 0.0022727 k( 269) = ( 0.2021277 0.5000000 0.5000000), wk = 0.0022727 k( 270) = ( 0.2127660 0.5000000 0.5000000), wk = 0.0022727 k( 271) = ( 0.2234043 0.5000000 0.5000000), wk = 0.0022727 k( 272) = ( 0.2340425 0.5000000 0.5000000), wk = 0.0022727 k( 273) = ( 0.2446809 0.5000000 0.5000000), wk = 0.0022727 k( 274) = ( 0.2553191 0.5000000 0.5000000), wk = 0.0022727 k( 275) = ( 0.2659574 0.5000000 0.5000000), wk = 0.0022727 k( 276) = ( 0.2765957 0.5000000 0.5000000), wk = 0.0022727 k( 277) = ( 0.2872340 0.5000000 0.5000000), wk = 0.0022727 k( 278) = ( 0.2978723 0.5000000 0.5000000), wk = 0.0022727 k( 279) = ( 0.3085106 0.5000000 0.5000000), wk = 0.0022727 k( 280) = ( 0.3191489 0.5000000 0.5000000), wk = 0.0022727 k( 281) = ( 0.3297872 0.5000000 0.5000000), wk = 0.0022727 k( 282) = ( 0.3404255 0.5000000 0.5000000), wk = 0.0022727 k( 283) = ( 0.3510638 0.5000000 0.5000000), wk = 0.0022727 k( 284) = ( 0.3617021 0.5000000 0.5000000), wk = 0.0022727 k( 285) = ( 0.3723404 0.5000000 0.5000000), wk = 0.0022727 k( 286) = ( 0.3829787 0.5000000 0.5000000), wk = 0.0022727 k( 287) = ( 0.3936170 0.5000000 0.5000000), wk = 0.0022727 k( 288) = ( 0.4042553 0.5000000 0.5000000), wk = 0.0022727 k( 289) = ( 0.4148936 0.5000000 0.5000000), wk = 0.0022727 k( 290) = ( 0.4255319 0.5000000 0.5000000), wk = 0.0022727 k( 291) = ( 0.4361702 0.5000000 0.5000000), wk = 0.0022727 k( 292) = ( 0.4468085 0.5000000 0.5000000), wk = 0.0022727 k( 293) = ( 0.4574468 0.5000000 0.5000000), wk = 0.0022727 k( 294) = ( 0.4680851 0.5000000 0.5000000), wk = 0.0022727 k( 295) = ( 0.4787234 0.5000000 0.5000000), wk = 0.0022727 k( 296) = ( 0.4893617 0.5000000 0.5000000), wk = 0.0022727 k( 297) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022727 k( 298) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022727 k( 299) = ( 0.4924242 0.4924242 0.5000000), wk = 0.0022727 k( 300) = ( 0.4848485 0.4848485 0.5000000), wk = 0.0022727 k( 301) = ( 0.4772727 0.4772727 0.5000000), wk = 0.0022727 k( 302) = ( 0.4696970 0.4696970 0.5000000), wk = 0.0022727 k( 303) = ( 0.4621212 0.4621212 0.5000000), wk = 0.0022727 k( 304) = ( 0.4545455 0.4545455 0.5000000), wk = 0.0022727 k( 305) = ( 0.4469697 0.4469697 0.5000000), wk = 0.0022727 k( 306) = ( 0.4393939 0.4393939 0.5000000), wk = 0.0022727 k( 307) = ( 0.4318182 0.4318182 0.5000000), wk = 0.0022727 k( 308) = ( 0.4242424 0.4242424 0.5000000), wk = 0.0022727 k( 309) = ( 0.4166667 0.4166667 0.5000000), wk = 0.0022727 k( 310) = ( 0.4090909 0.4090909 0.5000000), wk = 0.0022727 k( 311) = ( 0.4015151 0.4015151 0.5000000), wk = 0.0022727 k( 312) = ( 0.3939394 0.3939394 0.5000000), wk = 0.0022727 k( 313) = ( 0.3863636 0.3863636 0.5000000), wk = 0.0022727 k( 314) = ( 0.3787879 0.3787879 0.5000000), wk = 0.0022727 k( 315) = ( 0.3712121 0.3712121 0.5000000), wk = 0.0022727 k( 316) = ( 0.3636364 0.3636364 0.5000000), wk = 0.0022727 k( 317) = ( 0.3560606 0.3560606 0.5000000), wk = 0.0022727 k( 318) = ( 0.3484849 0.3484849 0.5000000), wk = 0.0022727 k( 319) = ( 0.3409091 0.3409091 0.5000000), wk = 0.0022727 k( 320) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0022727 k( 321) = ( 0.3257576 0.3257576 0.5000000), wk = 0.0022727 k( 322) = ( 0.3181818 0.3181818 0.5000000), wk = 0.0022727 k( 323) = ( 0.3106061 0.3106061 0.5000000), wk = 0.0022727 k( 324) = ( 0.3030303 0.3030303 0.5000000), wk = 0.0022727 k( 325) = ( 0.2954545 0.2954545 0.5000000), wk = 0.0022727 k( 326) = ( 0.2878788 0.2878788 0.5000000), wk = 0.0022727 k( 327) = ( 0.2803030 0.2803030 0.5000000), wk = 0.0022727 k( 328) = ( 0.2727273 0.2727273 0.5000000), wk = 0.0022727 k( 329) = ( 0.2651515 0.2651515 0.5000000), wk = 0.0022727 k( 330) = ( 0.2575758 0.2575758 0.5000000), wk = 0.0022727 k( 331) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0022727 k( 332) = ( 0.2424242 0.2424242 0.5000000), wk = 0.0022727 k( 333) = ( 0.2348485 0.2348485 0.5000000), wk = 0.0022727 k( 334) = ( 0.2272727 0.2272727 0.5000000), wk = 0.0022727 k( 335) = ( 0.2196970 0.2196970 0.5000000), wk = 0.0022727 k( 336) = ( 0.2121212 0.2121212 0.5000000), wk = 0.0022727 k( 337) = ( 0.2045454 0.2045454 0.5000000), wk = 0.0022727 k( 338) = ( 0.1969697 0.1969697 0.5000000), wk = 0.0022727 k( 339) = ( 0.1893939 0.1893939 0.5000000), wk = 0.0022727 k( 340) = ( 0.1818182 0.1818182 0.5000000), wk = 0.0022727 k( 341) = ( 0.1742424 0.1742424 0.5000000), wk = 0.0022727 k( 342) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0022727 k( 343) = ( 0.1590909 0.1590909 0.5000000), wk = 0.0022727 k( 344) = ( 0.1515151 0.1515151 0.5000000), wk = 0.0022727 k( 345) = ( 0.1439394 0.1439394 0.5000000), wk = 0.0022727 k( 346) = ( 0.1363636 0.1363636 0.5000000), wk = 0.0022727 k( 347) = ( 0.1287879 0.1287879 0.5000000), wk = 0.0022727 k( 348) = ( 0.1212121 0.1212121 0.5000000), wk = 0.0022727 k( 349) = ( 0.1136364 0.1136364 0.5000000), wk = 0.0022727 k( 350) = ( 0.1060606 0.1060606 0.5000000), wk = 0.0022727 k( 351) = ( 0.0984848 0.0984848 0.5000000), wk = 0.0022727 k( 352) = ( 0.0909091 0.0909091 0.5000000), wk = 0.0022727 k( 353) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0022727 k( 354) = ( 0.0757576 0.0757576 0.5000000), wk = 0.0022727 k( 355) = ( 0.0681818 0.0681818 0.5000000), wk = 0.0022727 k( 356) = ( 0.0606061 0.0606061 0.5000000), wk = 0.0022727 k( 357) = ( 0.0530303 0.0530303 0.5000000), wk = 0.0022727 k( 358) = ( 0.0454546 0.0454546 0.5000000), wk = 0.0022727 k( 359) = ( 0.0378788 0.0378788 0.5000000), wk = 0.0022727 k( 360) = ( 0.0303030 0.0303030 0.5000000), wk = 0.0022727 k( 361) = ( 0.0227273 0.0227273 0.5000000), wk = 0.0022727 k( 362) = ( 0.0151515 0.0151515 0.5000000), wk = 0.0022727 k( 363) = ( 0.0075758 0.0075758 0.5000000), wk = 0.0022727 k( 364) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022727 k( 365) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0022727 k( 366) = ( 0.0000000 0.5000000 0.0135135), wk = 0.0022727 k( 367) = ( 0.0000000 0.5000000 0.0270270), wk = 0.0022727 k( 368) = ( 0.0000000 0.5000000 0.0405405), wk = 0.0022727 k( 369) = ( 0.0000000 0.5000000 0.0540540), wk = 0.0022727 k( 370) = ( 0.0000000 0.5000000 0.0675676), wk = 0.0022727 k( 371) = ( 0.0000000 0.5000000 0.0810811), wk = 0.0022727 k( 372) = ( 0.0000000 0.5000000 0.0945946), wk = 0.0022727 k( 373) = ( 0.0000000 0.5000000 0.1081081), wk = 0.0022727 k( 374) = ( 0.0000000 0.5000000 0.1216216), wk = 0.0022727 k( 375) = ( 0.0000000 0.5000000 0.1351351), wk = 0.0022727 k( 376) = ( 0.0000000 0.5000000 0.1486486), wk = 0.0022727 k( 377) = ( 0.0000000 0.5000000 0.1621622), wk = 0.0022727 k( 378) = ( 0.0000000 0.5000000 0.1756757), wk = 0.0022727 k( 379) = ( 0.0000000 0.5000000 0.1891892), wk = 0.0022727 k( 380) = ( 0.0000000 0.5000000 0.2027027), wk = 0.0022727 k( 381) = ( 0.0000000 0.5000000 0.2162162), wk = 0.0022727 k( 382) = ( 0.0000000 0.5000000 0.2297297), wk = 0.0022727 k( 383) = ( 0.0000000 0.5000000 0.2432432), wk = 0.0022727 k( 384) = ( 0.0000000 0.5000000 0.2567568), wk = 0.0022727 k( 385) = ( 0.0000000 0.5000000 0.2702703), wk = 0.0022727 k( 386) = ( 0.0000000 0.5000000 0.2837838), wk = 0.0022727 k( 387) = ( 0.0000000 0.5000000 0.2972973), wk = 0.0022727 k( 388) = ( 0.0000000 0.5000000 0.3108108), wk = 0.0022727 k( 389) = ( 0.0000000 0.5000000 0.3243243), wk = 0.0022727 k( 390) = ( 0.0000000 0.5000000 0.3378378), wk = 0.0022727 k( 391) = ( 0.0000000 0.5000000 0.3513513), wk = 0.0022727 k( 392) = ( 0.0000000 0.5000000 0.3648649), wk = 0.0022727 k( 393) = ( 0.0000000 0.5000000 0.3783784), wk = 0.0022727 k( 394) = ( 0.0000000 0.5000000 0.3918919), wk = 0.0022727 k( 395) = ( 0.0000000 0.5000000 0.4054054), wk = 0.0022727 k( 396) = ( 0.0000000 0.5000000 0.4189189), wk = 0.0022727 k( 397) = ( 0.0000000 0.5000000 0.4324324), wk = 0.0022727 k( 398) = ( 0.0000000 0.5000000 0.4459459), wk = 0.0022727 k( 399) = ( 0.0000000 0.5000000 0.4594595), wk = 0.0022727 k( 400) = ( 0.0000000 0.5000000 0.4729730), wk = 0.0022727 k( 401) = ( 0.0000000 0.5000000 0.4864865), wk = 0.0022727 k( 402) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022727 k( 403) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0022727 k( 404) = ( 0.5000000 0.5000000 0.0135135), wk = 0.0022727 k( 405) = ( 0.5000000 0.5000000 0.0270270), wk = 0.0022727 k( 406) = ( 0.5000000 0.5000000 0.0405405), wk = 0.0022727 k( 407) = ( 0.5000000 0.5000000 0.0540540), wk = 0.0022727 k( 408) = ( 0.5000000 0.5000000 0.0675676), wk = 0.0022727 k( 409) = ( 0.5000000 0.5000000 0.0810811), wk = 0.0022727 k( 410) = ( 0.5000000 0.5000000 0.0945946), wk = 0.0022727 k( 411) = ( 0.5000000 0.5000000 0.1081081), wk = 0.0022727 k( 412) = ( 0.5000000 0.5000000 0.1216216), wk = 0.0022727 k( 413) = ( 0.5000000 0.5000000 0.1351351), wk = 0.0022727 k( 414) = ( 0.5000000 0.5000000 0.1486486), wk = 0.0022727 k( 415) = ( 0.5000000 0.5000000 0.1621622), wk = 0.0022727 k( 416) = ( 0.5000000 0.5000000 0.1756757), wk = 0.0022727 k( 417) = ( 0.5000000 0.5000000 0.1891892), wk = 0.0022727 k( 418) = ( 0.5000000 0.5000000 0.2027027), wk = 0.0022727 k( 419) = ( 0.5000000 0.5000000 0.2162162), wk = 0.0022727 k( 420) = ( 0.5000000 0.5000000 0.2297297), wk = 0.0022727 k( 421) = ( 0.5000000 0.5000000 0.2432432), wk = 0.0022727 k( 422) = ( 0.5000000 0.5000000 0.2567568), wk = 0.0022727 k( 423) = ( 0.5000000 0.5000000 0.2702703), wk = 0.0022727 k( 424) = ( 0.5000000 0.5000000 0.2837838), wk = 0.0022727 k( 425) = ( 0.5000000 0.5000000 0.2972973), wk = 0.0022727 k( 426) = ( 0.5000000 0.5000000 0.3108108), wk = 0.0022727 k( 427) = ( 0.5000000 0.5000000 0.3243243), wk = 0.0022727 k( 428) = ( 0.5000000 0.5000000 0.3378378), wk = 0.0022727 k( 429) = ( 0.5000000 0.5000000 0.3513513), wk = 0.0022727 k( 430) = ( 0.5000000 0.5000000 0.3648649), wk = 0.0022727 k( 431) = ( 0.5000000 0.5000000 0.3783784), wk = 0.0022727 k( 432) = ( 0.5000000 0.5000000 0.3918919), wk = 0.0022727 k( 433) = ( 0.5000000 0.5000000 0.4054054), wk = 0.0022727 k( 434) = ( 0.5000000 0.5000000 0.4189189), wk = 0.0022727 k( 435) = ( 0.5000000 0.5000000 0.4324324), wk = 0.0022727 k( 436) = ( 0.5000000 0.5000000 0.4459459), wk = 0.0022727 k( 437) = ( 0.5000000 0.5000000 0.4594595), wk = 0.0022727 k( 438) = ( 0.5000000 0.5000000 0.4729730), wk = 0.0022727 k( 439) = ( 0.5000000 0.5000000 0.4864865), wk = 0.0022727 k( 440) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022727 Dense grid: 53823 G-vectors FFT dimensions: ( 45, 45, 60) Smooth grid: 45971 G-vectors FFT dimensions: ( 45, 45, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 324, 26) NL pseudopotentials 0.12 Mb ( 162, 48) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1495) G-vector shells 0.01 Mb ( 750) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.51 Mb ( 324, 104) Each subspace H/S matrix 0.01 Mb ( 26, 26) Each matrix 0.04 Mb ( 48, 2, 26) The potential is recalculated from file : ./LiBi.save/charge-density.dat Starting wfc are 28 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.8 secs Computing kpt #: 2 total cpu time spent up to now is 2.0 secs Computing kpt #: 3 total cpu time spent up to now is 2.2 secs Computing kpt #: 4 total cpu time spent up to now is 2.4 secs Computing kpt #: 5 total cpu time spent up to now is 2.6 secs Computing kpt #: 6 total cpu time spent up to now is 2.8 secs Computing kpt #: 7 total cpu time spent up to now is 2.9 secs Computing kpt #: 8 total cpu time spent up to now is 3.1 secs Computing kpt #: 9 total cpu time spent up to now is 3.3 secs Computing kpt #: 10 total cpu time spent up to now is 3.5 secs Computing kpt #: 11 total cpu time spent up to now is 3.7 secs Computing kpt #: 12 total cpu time spent up to now is 3.9 secs Computing kpt #: 13 total cpu time spent up to now is 4.1 secs Computing kpt #: 14 total cpu time spent up to now is 4.3 secs Computing kpt #: 15 total cpu time spent up to now is 4.5 secs Computing kpt #: 16 total cpu time spent up to now is 4.7 secs Computing kpt #: 17 total cpu time spent up to now is 4.8 secs Computing kpt #: 18 total cpu time spent up to now is 5.0 secs Computing kpt #: 19 total cpu time spent up to now is 5.2 secs Computing kpt #: 20 total cpu time spent up to now is 5.4 secs Computing kpt #: 21 total cpu time spent up to now is 5.5 secs Computing kpt #: 22 total cpu time spent up to now is 5.7 secs Computing kpt #: 23 total cpu time spent up to now is 5.9 secs Computing kpt #: 24 total cpu time spent up to now is 6.1 secs Computing kpt #: 25 total cpu time spent up to now is 6.3 secs Computing kpt #: 26 total cpu time spent up to now is 6.5 secs Computing kpt #: 27 total cpu time spent up to now is 6.6 secs Computing kpt #: 28 total cpu time spent up to now is 6.8 secs Computing kpt #: 29 total cpu time spent up to now is 7.0 secs Computing kpt #: 30 total cpu time spent up to now is 7.2 secs Computing kpt #: 31 total cpu time spent up to now is 7.4 secs Computing kpt #: 32 total cpu time spent up to now is 7.6 secs Computing kpt #: 33 total cpu time spent up to now is 7.8 secs Computing kpt #: 34 total cpu time spent up to now is 7.9 secs Computing kpt #: 35 total cpu time spent up to now is 8.1 secs Computing kpt #: 36 total cpu time spent up to now is 8.3 secs Computing kpt #: 37 total cpu time spent up to now is 8.5 secs Computing kpt #: 38 total cpu time spent up to now is 8.6 secs Computing kpt #: 39 total cpu time spent up to now is 8.8 secs Computing kpt #: 40 total cpu time spent up to now is 9.0 secs Computing kpt #: 41 total cpu time spent up to now is 9.1 secs Computing kpt #: 42 total cpu time spent up to now is 9.3 secs Computing kpt #: 43 total cpu time spent up to now is 9.5 secs Computing kpt #: 44 total cpu time spent up to now is 9.6 secs Computing kpt #: 45 total cpu time spent up to now is 9.8 secs Computing kpt #: 46 total cpu time spent up to now is 9.9 secs Computing kpt #: 47 total cpu time spent up to now is 10.1 secs Computing kpt #: 48 total cpu time spent up to now is 10.3 secs Computing kpt #: 49 total cpu time spent up to now is 10.4 secs Computing kpt #: 50 total cpu time spent up to now is 10.6 secs Computing kpt #: 51 total cpu time spent up to now is 10.7 secs Computing kpt #: 52 total cpu time spent up to now is 10.9 secs Computing kpt #: 53 total cpu time spent up to now is 11.1 secs Computing kpt #: 54 total cpu time spent up to now is 11.2 secs Computing kpt #: 55 total cpu time spent up to now is 11.4 secs Computing kpt #: 56 total cpu time spent up to now is 11.6 secs Computing kpt #: 57 total cpu time spent up to now is 11.7 secs Computing kpt #: 58 total cpu time spent up to now is 11.9 secs Computing kpt #: 59 total cpu time spent up to now is 12.1 secs Computing kpt #: 60 total cpu time spent up to now is 12.3 secs Computing kpt #: 61 total cpu time spent up to now is 12.5 secs Computing kpt #: 62 total cpu time spent up to now is 12.6 secs Computing kpt #: 63 total cpu time spent up to now is 12.8 secs Computing kpt #: 64 total cpu time spent up to now is 13.0 secs Computing kpt #: 65 total cpu time spent up to now is 13.2 secs Computing kpt #: 66 total cpu time spent up to now is 13.4 secs Computing kpt #: 67 total cpu time spent up to now is 13.6 secs Computing kpt #: 68 total cpu time spent up to now is 13.7 secs Computing kpt #: 69 total cpu time spent up to now is 13.9 secs Computing kpt #: 70 total cpu time spent up to now is 14.1 secs Computing kpt #: 71 total cpu time spent up to now is 14.3 secs Computing kpt #: 72 total cpu time spent up to now is 14.5 secs Computing kpt #: 73 total cpu time spent up to now is 14.7 secs Computing kpt #: 74 total cpu time spent up to now is 14.9 secs Computing kpt #: 75 total cpu time spent up to now is 15.1 secs Computing kpt #: 76 total cpu time spent up to now is 15.2 secs Computing kpt #: 77 total cpu time spent up to now is 15.4 secs Computing kpt #: 78 total cpu time spent up to now is 15.6 secs Computing kpt #: 79 total cpu time spent up to now is 15.8 secs Computing kpt #: 80 total cpu time spent up to now is 16.0 secs Computing kpt #: 81 total cpu time spent up to now is 16.2 secs Computing kpt #: 82 total cpu time spent up to now is 16.4 secs Computing kpt #: 83 total cpu time spent up to now is 16.6 secs Computing kpt #: 84 total cpu time spent up to now is 16.8 secs Computing kpt #: 85 total cpu time spent up to now is 17.0 secs Computing kpt #: 86 total cpu time spent up to now is 17.2 secs Computing kpt #: 87 total cpu time spent up to now is 17.4 secs Computing kpt #: 88 total cpu time spent up to now is 17.6 secs Computing kpt #: 89 total cpu time spent up to now is 17.8 secs Computing kpt #: 90 total cpu time spent up to now is 18.0 secs Computing kpt #: 91 total cpu time spent up to now is 18.2 secs Computing kpt #: 92 total cpu time spent up to now is 18.4 secs Computing kpt #: 93 total cpu time spent up to now is 18.6 secs Computing kpt #: 94 total cpu time spent up to now is 18.7 secs Computing kpt #: 95 total cpu time spent up to now is 18.9 secs Computing kpt #: 96 total cpu time spent up to now is 19.1 secs Computing kpt #: 97 total cpu time spent up to now is 19.3 secs Computing kpt #: 98 total cpu time spent up to now is 19.4 secs Computing kpt #: 99 total cpu time spent up to now is 19.6 secs Computing kpt #: 100 total cpu time spent up to now is 19.8 secs Computing kpt #: 101 total cpu time spent up to now is 20.0 secs Computing kpt #: 102 total cpu time spent up to now is 20.2 secs Computing kpt #: 103 total cpu time spent up to now is 20.4 secs Computing kpt #: 104 total cpu time spent up to now is 20.6 secs Computing kpt #: 105 total cpu time spent up to now is 20.8 secs Computing kpt #: 106 total cpu time spent up to now is 21.0 secs Computing kpt #: 107 total cpu time spent up to now is 21.2 secs Computing kpt #: 108 total cpu time spent up to now is 21.4 secs Computing kpt #: 109 total cpu time spent up to now is 21.6 secs Computing kpt #: 110 total cpu time spent up to now is 21.8 secs Computing kpt #: 111 total cpu time spent up to now is 22.0 secs Computing kpt #: 112 total cpu time spent up to now is 22.2 secs Computing kpt #: 113 total cpu time spent up to now is 22.4 secs Computing kpt #: 114 total cpu time spent up to now is 22.6 secs Computing kpt #: 115 total cpu time spent up to now is 22.8 secs Computing kpt #: 116 total cpu time spent up to now is 23.0 secs Computing kpt #: 117 total cpu time spent up to now is 23.2 secs Computing kpt #: 118 total cpu time spent up to now is 23.4 secs Computing kpt #: 119 total cpu time spent up to now is 23.6 secs Computing kpt #: 120 total cpu time spent up to now is 23.8 secs Computing kpt #: 121 total cpu time spent up to now is 24.0 secs Computing kpt #: 122 total cpu time spent up to now is 24.2 secs Computing kpt #: 123 total cpu time spent up to now is 24.4 secs Computing kpt #: 124 total cpu time spent up to now is 24.6 secs Computing kpt #: 125 total cpu time spent up to now is 24.8 secs Computing kpt #: 126 total cpu time spent up to now is 25.0 secs Computing kpt #: 127 total cpu time spent up to now is 25.1 secs Computing kpt #: 128 total cpu time spent up to now is 25.3 secs Computing kpt #: 129 total cpu time spent up to now is 25.5 secs Computing kpt #: 130 total cpu time spent up to now is 25.7 secs Computing kpt #: 131 total cpu time spent up to now is 25.9 secs Computing kpt #: 132 total cpu time spent up to now is 26.1 secs Computing kpt #: 133 total cpu time spent up to now is 26.3 secs Computing kpt #: 134 total cpu time spent up to now is 26.5 secs Computing kpt #: 135 total cpu time spent up to now is 26.7 secs Computing kpt #: 136 total cpu time spent up to now is 26.9 secs Computing kpt #: 137 total cpu time spent up to now is 27.1 secs Computing kpt #: 138 total cpu time spent up to now is 27.3 secs Computing kpt #: 139 total cpu time spent up to now is 27.6 secs Computing kpt #: 140 total cpu time spent up to now is 27.8 secs Computing kpt #: 141 total cpu time spent up to now is 28.0 secs Computing kpt #: 142 total cpu time spent up to now is 28.2 secs Computing kpt #: 143 total cpu time spent up to now is 28.4 secs Computing kpt #: 144 total cpu time spent up to now is 28.6 secs Computing kpt #: 145 total cpu time spent up to now is 28.8 secs Computing kpt #: 146 total cpu time spent up to now is 29.0 secs Computing kpt #: 147 total cpu time spent up to now is 29.2 secs Computing kpt #: 148 total cpu time spent up to now is 29.5 secs Computing kpt #: 149 total cpu time spent up to now is 29.7 secs Computing kpt #: 150 total cpu time spent up to now is 29.9 secs Computing kpt #: 151 total cpu time spent up to now is 30.1 secs Computing kpt #: 152 total cpu time spent up to now is 30.3 secs Computing kpt #: 153 total cpu time spent up to now is 30.5 secs Computing kpt #: 154 total cpu time spent up to now is 30.7 secs Computing kpt #: 155 total cpu time spent up to now is 30.8 secs Computing kpt #: 156 total cpu time spent up to now is 31.0 secs Computing kpt #: 157 total cpu time spent up to now is 31.2 secs Computing kpt #: 158 total cpu time spent up to now is 31.4 secs Computing kpt #: 159 total cpu time spent up to now is 31.6 secs Computing kpt #: 160 total cpu time spent up to now is 31.8 secs Computing kpt #: 161 total cpu time spent up to now is 31.9 secs Computing kpt #: 162 total cpu time spent up to now is 32.1 secs Computing kpt #: 163 total cpu time spent up to now is 32.3 secs Computing kpt #: 164 total cpu time spent up to now is 32.5 secs Computing kpt #: 165 total cpu time spent up to now is 32.6 secs Computing kpt #: 166 total cpu time spent up to now is 32.8 secs Computing kpt #: 167 total cpu time spent up to now is 33.0 secs Computing kpt #: 168 total cpu time spent up to now is 33.2 secs Computing kpt #: 169 total cpu time spent up to now is 33.4 secs Computing kpt #: 170 total cpu time spent up to now is 33.5 secs Computing kpt #: 171 total cpu time spent up to now is 33.7 secs Computing kpt #: 172 total cpu time spent up to now is 33.9 secs Computing kpt #: 173 total cpu time spent up to now is 34.1 secs Computing kpt #: 174 total cpu time spent up to now is 34.2 secs Computing kpt #: 175 total cpu time spent up to now is 34.4 secs Computing kpt #: 176 total cpu time spent up to now is 34.6 secs Computing kpt #: 177 total cpu time spent up to now is 34.8 secs Computing kpt #: 178 total cpu time spent up to now is 35.0 secs Computing kpt #: 179 total cpu time spent up to now is 35.2 secs Computing kpt #: 180 total cpu time spent up to now is 35.4 secs Computing kpt #: 181 total cpu time spent up to now is 35.5 secs Computing kpt #: 182 total cpu time spent up to now is 35.7 secs Computing kpt #: 183 total cpu time spent up to now is 35.9 secs Computing kpt #: 184 total cpu time spent up to now is 36.1 secs Computing kpt #: 185 total cpu time spent up to now is 36.4 secs Computing kpt #: 186 total cpu time spent up to now is 36.6 secs Computing kpt #: 187 total cpu time spent up to now is 36.8 secs Computing kpt #: 188 total cpu time spent up to now is 37.0 secs Computing kpt #: 189 total cpu time spent up to now is 37.3 secs Computing kpt #: 190 total cpu time spent up to now is 37.5 secs Computing kpt #: 191 total cpu time spent up to now is 37.8 secs Computing kpt #: 192 total cpu time spent up to now is 38.0 secs Computing kpt #: 193 total cpu time spent up to now is 38.3 secs Computing kpt #: 194 total cpu time spent up to now is 38.5 secs Computing kpt #: 195 total cpu time spent up to now is 38.7 secs Computing kpt #: 196 total cpu time spent up to now is 39.0 secs Computing kpt #: 197 total cpu time spent up to now is 39.2 secs Computing kpt #: 198 total cpu time spent up to now is 39.4 secs Computing kpt #: 199 total cpu time spent up to now is 39.7 secs Computing kpt #: 200 total cpu time spent up to now is 39.9 secs Computing kpt #: 201 total cpu time spent up to now is 40.1 secs Computing kpt #: 202 total cpu time spent up to now is 40.4 secs Computing kpt #: 203 total cpu time spent up to now is 40.6 secs Computing kpt #: 204 total cpu time spent up to now is 40.8 secs Computing kpt #: 205 total cpu time spent up to now is 41.0 secs Computing kpt #: 206 total cpu time spent up to now is 41.1 secs Computing kpt #: 207 total cpu time spent up to now is 41.3 secs Computing kpt #: 208 total cpu time spent up to now is 41.5 secs Computing kpt #: 209 total cpu time spent up to now is 41.7 secs Computing kpt #: 210 total cpu time spent up to now is 41.9 secs Computing kpt #: 211 total cpu time spent up to now is 42.0 secs Computing kpt #: 212 total cpu time spent up to now is 42.2 secs Computing kpt #: 213 total cpu time spent up to now is 42.4 secs Computing kpt #: 214 total cpu time spent up to now is 42.6 secs Computing kpt #: 215 total cpu time spent up to now is 42.7 secs Computing kpt #: 216 total cpu time spent up to now is 42.9 secs Computing kpt #: 217 total cpu time spent up to now is 43.1 secs Computing kpt #: 218 total cpu time spent up to now is 43.3 secs Computing kpt #: 219 total cpu time spent up to now is 43.4 secs Computing kpt #: 220 total cpu time spent up to now is 43.6 secs Computing kpt #: 221 total cpu time spent up to now is 43.8 secs Computing kpt #: 222 total cpu time spent up to now is 44.0 secs Computing kpt #: 223 total cpu time spent up to now is 44.2 secs Computing kpt #: 224 total cpu time spent up to now is 44.3 secs Computing kpt #: 225 total cpu time spent up to now is 44.6 secs Computing kpt #: 226 total cpu time spent up to now is 44.8 secs Computing kpt #: 227 total cpu time spent up to now is 45.0 secs Computing kpt #: 228 total cpu time spent up to now is 45.2 secs Computing kpt #: 229 total cpu time spent up to now is 45.4 secs Computing kpt #: 230 total cpu time spent up to now is 45.7 secs Computing kpt #: 231 total cpu time spent up to now is 45.9 secs Computing kpt #: 232 total cpu time spent up to now is 46.1 secs Computing kpt #: 233 total cpu time spent up to now is 46.4 secs Computing kpt #: 234 total cpu time spent up to now is 46.6 secs Computing kpt #: 235 total cpu time spent up to now is 46.8 secs Computing kpt #: 236 total cpu time spent up to now is 47.0 secs Computing kpt #: 237 total cpu time spent up to now is 47.3 secs Computing kpt #: 238 total cpu time spent up to now is 47.5 secs Computing kpt #: 239 total cpu time spent up to now is 47.7 secs Computing kpt #: 240 total cpu time spent up to now is 48.0 secs Computing kpt #: 241 total cpu time spent up to now is 48.2 secs Computing kpt #: 242 total cpu time spent up to now is 48.4 secs Computing kpt #: 243 total cpu time spent up to now is 48.7 secs Computing kpt #: 244 total cpu time spent up to now is 48.9 secs Computing kpt #: 245 total cpu time spent up to now is 49.1 secs Computing kpt #: 246 total cpu time spent up to now is 49.4 secs Computing kpt #: 247 total cpu time spent up to now is 49.6 secs Computing kpt #: 248 total cpu time spent up to now is 49.9 secs Computing kpt #: 249 total cpu time spent up to now is 50.1 secs Computing kpt #: 250 total cpu time spent up to now is 50.3 secs Computing kpt #: 251 total cpu time spent up to now is 50.6 secs Computing kpt #: 252 total cpu time spent up to now is 50.8 secs Computing kpt #: 253 total cpu time spent up to now is 50.9 secs Computing kpt #: 254 total cpu time spent up to now is 51.1 secs Computing kpt #: 255 total cpu time spent up to now is 51.3 secs Computing kpt #: 256 total cpu time spent up to now is 51.5 secs Computing kpt #: 257 total cpu time spent up to now is 51.7 secs Computing kpt #: 258 total cpu time spent up to now is 51.9 secs Computing kpt #: 259 total cpu time spent up to now is 52.0 secs Computing kpt #: 260 total cpu time spent up to now is 52.2 secs Computing kpt #: 261 total cpu time spent up to now is 52.4 secs Computing kpt #: 262 total cpu time spent up to now is 52.6 secs Computing kpt #: 263 total cpu time spent up to now is 52.7 secs Computing kpt #: 264 total cpu time spent up to now is 52.9 secs Computing kpt #: 265 total cpu time spent up to now is 53.0 secs Computing kpt #: 266 total cpu time spent up to now is 53.2 secs Computing kpt #: 267 total cpu time spent up to now is 53.4 secs Computing kpt #: 268 total cpu time spent up to now is 53.5 secs Computing kpt #: 269 total cpu time spent up to now is 53.7 secs Computing kpt #: 270 total cpu time spent up to now is 53.9 secs Computing kpt #: 271 total cpu time spent up to now is 54.0 secs Computing kpt #: 272 total cpu time spent up to now is 54.2 secs Computing kpt #: 273 total cpu time spent up to now is 54.3 secs Computing kpt #: 274 total cpu time spent up to now is 54.5 secs Computing kpt #: 275 total cpu time spent up to now is 54.7 secs Computing kpt #: 276 total cpu time spent up to now is 54.8 secs Computing kpt #: 277 total cpu time spent up to now is 55.0 secs Computing kpt #: 278 total cpu time spent up to now is 55.1 secs Computing kpt #: 279 total cpu time spent up to now is 55.3 secs Computing kpt #: 280 total cpu time spent up to now is 55.4 secs Computing kpt #: 281 total cpu time spent up to now is 55.6 secs Computing kpt #: 282 total cpu time spent up to now is 55.7 secs Computing kpt #: 283 total cpu time spent up to now is 55.9 secs Computing kpt #: 284 total cpu time spent up to now is 56.1 secs Computing kpt #: 285 total cpu time spent up to now is 56.2 secs Computing kpt #: 286 total cpu time spent up to now is 56.4 secs Computing kpt #: 287 total cpu time spent up to now is 56.5 secs Computing kpt #: 288 total cpu time spent up to now is 56.7 secs Computing kpt #: 289 total cpu time spent up to now is 56.9 secs Computing kpt #: 290 total cpu time spent up to now is 57.0 secs Computing kpt #: 291 total cpu time spent up to now is 57.2 secs Computing kpt #: 292 total cpu time spent up to now is 57.3 secs Computing kpt #: 293 total cpu time spent up to now is 57.5 secs Computing kpt #: 294 total cpu time spent up to now is 57.6 secs Computing kpt #: 295 total cpu time spent up to now is 57.8 secs Computing kpt #: 296 total cpu time spent up to now is 57.9 secs Computing kpt #: 297 total cpu time spent up to now is 58.1 secs Computing kpt #: 298 total cpu time spent up to now is 58.2 secs Computing kpt #: 299 total cpu time spent up to now is 58.4 secs Computing kpt #: 300 total cpu time spent up to now is 58.6 secs Computing kpt #: 301 total cpu time spent up to now is 58.7 secs Computing kpt #: 302 total cpu time spent up to now is 58.9 secs Computing kpt #: 303 total cpu time spent up to now is 59.0 secs Computing kpt #: 304 total cpu time spent up to now is 59.2 secs Computing kpt #: 305 total cpu time spent up to now is 59.4 secs Computing kpt #: 306 total cpu time spent up to now is 59.5 secs Computing kpt #: 307 total cpu time spent up to now is 59.7 secs Computing kpt #: 308 total cpu time spent up to now is 59.8 secs Computing kpt #: 309 total cpu time spent up to now is 60.0 secs Computing kpt #: 310 total cpu time spent up to now is 60.2 secs Computing kpt #: 311 total cpu time spent up to now is 60.3 secs Computing kpt #: 312 total cpu time spent up to now is 60.5 secs Computing kpt #: 313 total cpu time spent up to now is 60.7 secs Computing kpt #: 314 total cpu time spent up to now is 60.8 secs Computing kpt #: 315 total cpu time spent up to now is 61.0 secs Computing kpt #: 316 total cpu time spent up to now is 61.1 secs Computing kpt #: 317 total cpu time spent up to now is 61.3 secs Computing kpt #: 318 total cpu time spent up to now is 61.5 secs Computing kpt #: 319 total cpu time spent up to now is 61.6 secs Computing kpt #: 320 total cpu time spent up to now is 61.8 secs Computing kpt #: 321 total cpu time spent up to now is 62.0 secs Computing kpt #: 322 total cpu time spent up to now is 62.1 secs Computing kpt #: 323 total cpu time spent up to now is 62.3 secs Computing kpt #: 324 total cpu time spent up to now is 62.5 secs Computing kpt #: 325 total cpu time spent up to now is 62.6 secs Computing kpt #: 326 total cpu time spent up to now is 62.8 secs Computing kpt #: 327 total cpu time spent up to now is 63.0 secs Computing kpt #: 328 total cpu time spent up to now is 63.1 secs Computing kpt #: 329 total cpu time spent up to now is 63.3 secs Computing kpt #: 330 total cpu time spent up to now is 63.4 secs Computing kpt #: 331 total cpu time spent up to now is 63.6 secs Computing kpt #: 332 total cpu time spent up to now is 63.8 secs Computing kpt #: 333 total cpu time spent up to now is 63.9 secs Computing kpt #: 334 total cpu time spent up to now is 64.1 secs Computing kpt #: 335 total cpu time spent up to now is 64.3 secs Computing kpt #: 336 total cpu time spent up to now is 64.5 secs Computing kpt #: 337 total cpu time spent up to now is 64.6 secs Computing kpt #: 338 total cpu time spent up to now is 64.8 secs Computing kpt #: 339 total cpu time spent up to now is 65.0 secs Computing kpt #: 340 total cpu time spent up to now is 65.2 secs Computing kpt #: 341 total cpu time spent up to now is 65.4 secs Computing kpt #: 342 total cpu time spent up to now is 65.5 secs Computing kpt #: 343 total cpu time spent up to now is 65.7 secs Computing kpt #: 344 total cpu time spent up to now is 65.9 secs Computing kpt #: 345 total cpu time spent up to now is 66.0 secs Computing kpt #: 346 total cpu time spent up to now is 66.2 secs Computing kpt #: 347 total cpu time spent up to now is 66.4 secs Computing kpt #: 348 total cpu time spent up to now is 66.6 secs Computing kpt #: 349 total cpu time spent up to now is 66.7 secs Computing kpt #: 350 total cpu time spent up to now is 66.9 secs Computing kpt #: 351 total cpu time spent up to now is 67.1 secs Computing kpt #: 352 total cpu time spent up to now is 67.2 secs Computing kpt #: 353 total cpu time spent up to now is 67.4 secs Computing kpt #: 354 total cpu time spent up to now is 67.6 secs Computing kpt #: 355 total cpu time spent up to now is 67.8 secs Computing kpt #: 356 total cpu time spent up to now is 68.0 secs Computing kpt #: 357 total cpu time spent up to now is 68.1 secs Computing kpt #: 358 total cpu time spent up to now is 68.3 secs Computing kpt #: 359 total cpu time spent up to now is 68.5 secs Computing kpt #: 360 total cpu time spent up to now is 68.7 secs Computing kpt #: 361 total cpu time spent up to now is 68.9 secs Computing kpt #: 362 total cpu time spent up to now is 69.1 secs Computing kpt #: 363 total cpu time spent up to now is 69.3 secs Computing kpt #: 364 total cpu time spent up to now is 69.5 secs Computing kpt #: 365 total cpu time spent up to now is 69.7 secs Computing kpt #: 366 total cpu time spent up to now is 69.9 secs Computing kpt #: 367 total cpu time spent up to now is 70.0 secs Computing kpt #: 368 total cpu time spent up to now is 70.2 secs Computing kpt #: 369 total cpu time spent up to now is 70.3 secs Computing kpt #: 370 total cpu time spent up to now is 70.5 secs Computing kpt #: 371 total cpu time spent up to now is 70.7 secs Computing kpt #: 372 total cpu time spent up to now is 70.9 secs Computing kpt #: 373 total cpu time spent up to now is 71.0 secs Computing kpt #: 374 total cpu time spent up to now is 71.2 secs Computing kpt #: 375 total cpu time spent up to now is 71.4 secs Computing kpt #: 376 total cpu time spent up to now is 71.5 secs Computing kpt #: 377 total cpu time spent up to now is 71.7 secs Computing kpt #: 378 total cpu time spent up to now is 71.9 secs Computing kpt #: 379 total cpu time spent up to now is 72.0 secs Computing kpt #: 380 total cpu time spent up to now is 72.2 secs Computing kpt #: 381 total cpu time spent up to now is 72.4 secs Computing kpt #: 382 total cpu time spent up to now is 72.6 secs Computing kpt #: 383 total cpu time spent up to now is 72.7 secs Computing kpt #: 384 total cpu time spent up to now is 72.9 secs Computing kpt #: 385 total cpu time spent up to now is 73.1 secs Computing kpt #: 386 total cpu time spent up to now is 73.3 secs Computing kpt #: 387 total cpu time spent up to now is 73.5 secs Computing kpt #: 388 total cpu time spent up to now is 73.6 secs Computing kpt #: 389 total cpu time spent up to now is 73.8 secs Computing kpt #: 390 total cpu time spent up to now is 74.0 secs Computing kpt #: 391 total cpu time spent up to now is 74.2 secs Computing kpt #: 392 total cpu time spent up to now is 74.4 secs Computing kpt #: 393 total cpu time spent up to now is 74.6 secs Computing kpt #: 394 total cpu time spent up to now is 74.8 secs Computing kpt #: 395 total cpu time spent up to now is 75.0 secs Computing kpt #: 396 total cpu time spent up to now is 75.1 secs Computing kpt #: 397 total cpu time spent up to now is 75.3 secs Computing kpt #: 398 total cpu time spent up to now is 75.5 secs Computing kpt #: 399 total cpu time spent up to now is 75.8 secs Computing kpt #: 400 total cpu time spent up to now is 76.0 secs Computing kpt #: 401 total cpu time spent up to now is 76.2 secs Computing kpt #: 402 total cpu time spent up to now is 76.5 secs Computing kpt #: 403 total cpu time spent up to now is 76.6 secs Computing kpt #: 404 total cpu time spent up to now is 76.8 secs Computing kpt #: 405 total cpu time spent up to now is 77.0 secs Computing kpt #: 406 total cpu time spent up to now is 77.2 secs Computing kpt #: 407 total cpu time spent up to now is 77.3 secs Computing kpt #: 408 total cpu time spent up to now is 77.5 secs Computing kpt #: 409 total cpu time spent up to now is 77.7 secs Computing kpt #: 410 total cpu time spent up to now is 77.9 secs Computing kpt #: 411 total cpu time spent up to now is 78.0 secs Computing kpt #: 412 total cpu time spent up to now is 78.2 secs Computing kpt #: 413 total cpu time spent up to now is 78.3 secs Computing kpt #: 414 total cpu time spent up to now is 78.5 secs Computing kpt #: 415 total cpu time spent up to now is 78.7 secs Computing kpt #: 416 total cpu time spent up to now is 78.8 secs Computing kpt #: 417 total cpu time spent up to now is 79.0 secs Computing kpt #: 418 total cpu time spent up to now is 79.2 secs Computing kpt #: 419 total cpu time spent up to now is 79.3 secs Computing kpt #: 420 total cpu time spent up to now is 79.5 secs Computing kpt #: 421 total cpu time spent up to now is 79.6 secs Computing kpt #: 422 total cpu time spent up to now is 79.8 secs Computing kpt #: 423 total cpu time spent up to now is 80.0 secs Computing kpt #: 424 total cpu time spent up to now is 80.1 secs Computing kpt #: 425 total cpu time spent up to now is 80.3 secs Computing kpt #: 426 total cpu time spent up to now is 80.4 secs Computing kpt #: 427 total cpu time spent up to now is 80.6 secs Computing kpt #: 428 total cpu time spent up to now is 80.8 secs Computing kpt #: 429 total cpu time spent up to now is 80.9 secs Computing kpt #: 430 total cpu time spent up to now is 81.1 secs Computing kpt #: 431 total cpu time spent up to now is 81.3 secs Computing kpt #: 432 total cpu time spent up to now is 81.4 secs Computing kpt #: 433 total cpu time spent up to now is 81.6 secs Computing kpt #: 434 total cpu time spent up to now is 81.7 secs Computing kpt #: 435 total cpu time spent up to now is 81.9 secs Computing kpt #: 436 total cpu time spent up to now is 82.1 secs Computing kpt #: 437 total cpu time spent up to now is 82.2 secs Computing kpt #: 438 total cpu time spent up to now is 82.4 secs Computing kpt #: 439 total cpu time spent up to now is 82.6 secs Computing kpt #: 440 total cpu time spent up to now is 82.7 secs ethr = 5.56E-08, avg # of iterations = 16.0 total cpu time spent up to now is 82.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5797 PWs) bands (ev): -38.9346 -38.9346 -15.9631 -15.9631 -15.8918 -15.8918 -13.0383 -13.0383 -12.9328 -12.9328 -12.8774 -12.8774 -4.0026 -4.0026 6.2088 6.2088 9.8739 9.8739 9.9019 9.9019 11.2965 11.2965 14.4902 14.4902 15.0202 15.0202 k = 0.0000 0.0106-0.0000 ( 5779 PWs) bands (ev): -38.9346 -38.9346 -15.9631 -15.9631 -15.8918 -15.8918 -13.0382 -13.0382 -12.9328 -12.9328 -12.8774 -12.8774 -4.0014 -4.0014 6.2099 6.2099 9.8579 9.8579 9.9114 9.9114 11.2862 11.2862 14.5017 14.5017 15.0314 15.0314 k = 0.0000 0.0213-0.0000 ( 5781 PWs) bands (ev): -38.9346 -38.9346 -15.9630 -15.9630 -15.8917 -15.8917 -13.0380 -13.0380 -12.9327 -12.9327 -12.8776 -12.8776 -3.9977 -3.9977 6.2134 6.2134 9.8248 9.8248 9.9249 9.9249 11.2570 11.2570 14.5332 14.5332 15.0666 15.0666 k = 0.0000 0.0319-0.0000 ( 5783 PWs) bands (ev): -38.9346 -38.9346 -15.9628 -15.9628 -15.8917 -15.8917 -13.0376 -13.0376 -12.9325 -12.9325 -12.8778 -12.8778 -3.9914 -3.9914 6.2192 6.2192 9.7785 9.7785 9.9371 9.9371 11.2132 11.2132 14.5764 14.5764 15.1307 15.1307 k = 0.0000 0.0426-0.0000 ( 5783 PWs) bands (ev): -38.9346 -38.9346 -15.9625 -15.9625 -15.8916 -15.8916 -13.0370 -13.0370 -12.9323 -12.9323 -12.8782 -12.8782 -3.9827 -3.9827 6.2273 6.2273 9.7173 9.7173 9.9485 9.9485 11.1612 11.1612 14.6218 14.6218 15.2284 15.2284 k = 0.0000 0.0532-0.0000 ( 5783 PWs) bands (ev): -38.9345 -38.9345 -15.9622 -15.9622 -15.8916 -15.8916 -13.0363 -13.0363 -12.9320 -12.9320 -12.8787 -12.8787 -3.9716 -3.9716 6.2375 6.2375 9.6390 9.6390 9.9598 9.9598 11.1076 11.1076 14.6627 14.6627 15.3609 15.3609 k = 0.0000 0.0638-0.0000 ( 5781 PWs) bands (ev): -38.9345 -38.9345 -15.9618 -15.9618 -15.8915 -15.8915 -13.0354 -13.0354 -12.9316 -12.9316 -12.8793 -12.8793 -3.9580 -3.9580 6.2496 6.2496 9.5422 9.5422 9.9716 9.9716 11.0579 11.0579 14.6971 14.6971 15.5252 15.5252 k = 0.0000 0.0745-0.0000 ( 5777 PWs) bands (ev): -38.9345 -38.9345 -15.9614 -15.9614 -15.8914 -15.8914 -13.0345 -13.0345 -12.9312 -12.9312 -12.8800 -12.8800 -3.9419 -3.9419 6.2637 6.2637 9.4272 9.4272 9.9843 9.9843 11.0163 11.0163 14.7262 14.7262 15.7152 15.7152 k = 0.0000 0.0851-0.0000 ( 5771 PWs) bands (ev): -38.9345 -38.9345 -15.9608 -15.9608 -15.8913 -15.8913 -13.0333 -13.0333 -12.9307 -12.9307 -12.8807 -12.8807 -3.9234 -3.9234 6.2794 6.2794 9.2950 9.2950 9.9979 9.9979 10.9849 10.9849 14.7517 14.7517 15.9248 15.9248 k = 0.0000 0.0957-0.0000 ( 5771 PWs) bands (ev): -38.9344 -38.9344 -15.9603 -15.9603 -15.8911 -15.8911 -13.0321 -13.0321 -12.9301 -12.9301 -12.8816 -12.8816 -3.9025 -3.9025 6.2963 6.2963 9.1481 9.1481 10.0128 10.0128 10.9643 10.9643 14.7752 14.7752 16.1475 16.1475 k = 0.0000 0.1064-0.0000 ( 5765 PWs) bands (ev): -38.9344 -38.9344 -15.9597 -15.9597 -15.8910 -15.8910 -13.0307 -13.0307 -12.9295 -12.9295 -12.8825 -12.8825 -3.8792 -3.8792 6.3142 6.3142 8.9894 8.9894 10.0290 10.0290 10.9540 10.9540 14.7975 14.7975 16.3749 16.3749 k = 0.0000 0.1170-0.0000 ( 5761 PWs) bands (ev): -38.9343 -38.9343 -15.9590 -15.9590 -15.8908 -15.8908 -13.0293 -13.0293 -12.9288 -12.9288 -12.8835 -12.8835 -3.8535 -3.8535 6.3325 6.3325 8.8220 8.8220 10.0466 10.0466 10.9532 10.9532 14.8195 14.8195 16.5892 16.5892 k = 0.0000 0.1277-0.0000 ( 5755 PWs) bands (ev): -38.9343 -38.9343 -15.9583 -15.9583 -15.8906 -15.8906 -13.0278 -13.0278 -12.9280 -12.9280 -12.8846 -12.8846 -3.8255 -3.8255 6.3505 6.3505 8.6492 8.6492 10.0655 10.0655 10.9607 10.9607 14.8415 14.8415 16.7382 16.7382 k = 0.0000 0.1383-0.0000 ( 5759 PWs) bands (ev): -38.9342 -38.9342 -15.9575 -15.9575 -15.8904 -15.8904 -13.0262 -13.0262 -12.9272 -12.9272 -12.8857 -12.8857 -3.7953 -3.7953 6.3671 6.3671 8.4740 8.4740 10.0859 10.0859 10.9755 10.9755 14.8637 14.8637 16.7466 16.7466 k = 0.0000 0.1489-0.0000 ( 5751 PWs) bands (ev): -38.9342 -38.9342 -15.9568 -15.9568 -15.8902 -15.8902 -13.0245 -13.0245 -12.9263 -12.9263 -12.8868 -12.8868 -3.7627 -3.7627 6.3809 6.3809 8.2996 8.2996 10.1077 10.1077 10.9967 10.9967 14.8862 14.8862 16.6560 16.6560 k = 0.0000 0.1596-0.0000 ( 5761 PWs) bands (ev): -38.9341 -38.9341 -15.9560 -15.9560 -15.8900 -15.8900 -13.0228 -13.0228 -12.9253 -12.9253 -12.8880 -12.8880 -3.7280 -3.7280 6.3899 6.3899 8.1294 8.1294 10.1310 10.1310 11.0235 11.0235 14.9089 14.9089 16.5278 16.5278 k = 0.0000 0.1702-0.0000 ( 5767 PWs) bands (ev): -38.9341 -38.9341 -15.9552 -15.9552 -15.8897 -15.8897 -13.0211 -13.0211 -12.9243 -12.9243 -12.8892 -12.8892 -3.6911 -3.6911 6.3915 6.3915 7.9674 7.9674 10.1556 10.1556 11.0552 11.0552 14.9317 14.9317 16.3833 16.3833 k = 0.0000 0.1809-0.0000 ( 5771 PWs) bands (ev): -38.9340 -38.9340 -15.9544 -15.9544 -15.8894 -15.8894 -13.0193 -13.0193 -12.9232 -12.9232 -12.8904 -12.8904 -3.6520 -3.6520 6.3819 6.3819 7.8182 7.8182 10.1817 10.1817 11.0914 11.0914 14.9543 14.9543 16.2295 16.2295 k = 0.0000 0.1915-0.0000 ( 5775 PWs) bands (ev): -38.9340 -38.9340 -15.9535 -15.9535 -15.8892 -15.8892 -13.0176 -13.0176 -12.9221 -12.9221 -12.8915 -12.8915 -3.6110 -3.6110 6.3565 6.3565 7.6873 7.6873 10.2091 10.2091 11.1315 11.1315 14.9762 14.9762 16.0701 16.0701 k = 0.0000 0.2021-0.0000 ( 5771 PWs) bands (ev): -38.9339 -38.9339 -15.9527 -15.9527 -15.8888 -15.8888 -13.0159 -13.0159 -12.9209 -12.9209 -12.8926 -12.8926 -3.5680 -3.5680 6.3105 6.3105 7.5799 7.5799 10.2379 10.2379 11.1751 11.1751 14.9970 14.9970 15.9069 15.9069 k = 0.0000 0.2128-0.0000 ( 5767 PWs) bands (ev): -38.9338 -38.9338 -15.9519 -15.9519 -15.8885 -15.8885 -13.0142 -13.0142 -12.9198 -12.9198 -12.8935 -12.8935 -3.5231 -3.5231 6.2405 6.2405 7.5002 7.5002 10.2680 10.2680 11.2219 11.2219 15.0158 15.0158 15.7415 15.7415 k = 0.0000 0.2234-0.0000 ( 5773 PWs) bands (ev): -38.9338 -38.9338 -15.9511 -15.9511 -15.8881 -15.8881 -13.0126 -13.0126 -12.9187 -12.9187 -12.8944 -12.8944 -3.4764 -3.4764 6.1459 6.1459 7.4491 7.4491 10.2994 10.2994 11.2717 11.2717 15.0314 15.0314 15.5753 15.5753 k = 0.0000 0.2340-0.0000 ( 5767 PWs) bands (ev): -38.9337 -38.9337 -15.9503 -15.9503 -15.8878 -15.8878 -13.0110 -13.0110 -12.9177 -12.9177 -12.8951 -12.8951 -3.4281 -3.4281 6.0294 6.0294 7.4243 7.4243 10.3319 10.3319 11.3241 11.3241 15.0418 15.0418 15.4101 15.4101 k = 0.0000 0.2447-0.0000 ( 5763 PWs) bands (ev): -38.9336 -38.9336 -15.9495 -15.9495 -15.8874 -15.8874 -13.0096 -13.0096 -12.9167 -12.9167 -12.8955 -12.8955 -3.3782 -3.3782 5.8957 5.8957 7.4215 7.4215 10.3656 10.3656 11.3788 11.3788 15.0416 15.0416 15.2506 15.2506 k = 0.0000 0.2553-0.0000 ( 5745 PWs) bands (ev): -38.9336 -38.9336 -15.9488 -15.9488 -15.8870 -15.8870 -13.0082 -13.0082 -12.9160 -12.9160 -12.8957 -12.8957 -3.3269 -3.3269 5.7498 5.7498 7.4359 7.4359 10.4004 10.4004 11.4356 11.4356 15.0029 15.0029 15.1239 15.1239 k = 0.0000 0.2660-0.0000 ( 5741 PWs) bands (ev): -38.9335 -38.9335 -15.9481 -15.9481 -15.8866 -15.8866 -13.0069 -13.0069 -12.9155 -12.9155 -12.8955 -12.8955 -3.2743 -3.2743 5.5963 5.5963 7.4633 7.4633 10.4362 10.4362 11.4942 11.4942 14.8765 14.8765 15.0784 15.0784 k = 0.0000 0.2766-0.0000 ( 5745 PWs) bands (ev): -38.9334 -38.9334 -15.9474 -15.9474 -15.8861 -15.8861 -13.0057 -13.0057 -12.9152 -12.9152 -12.8951 -12.8951 -3.2206 -3.2206 5.4383 5.4383 7.5005 7.5005 10.4729 10.4729 11.5544 11.5544 14.7203 14.7203 15.0549 15.0549 k = 0.0000 0.2872-0.0000 ( 5744 PWs) bands (ev): -38.9334 -38.9334 -15.9467 -15.9467 -15.8857 -15.8857 -13.0046 -13.0046 -12.9151 -12.9151 -12.8942 -12.8942 -3.1659 -3.1659 5.2786 5.2786 7.5451 7.5451 10.5104 10.5104 11.6158 11.6158 14.5609 14.5609 15.0266 15.0266 k = 0.0000 0.2979-0.0000 ( 5752 PWs) bands (ev): -38.9333 -38.9333 -15.9461 -15.9461 -15.8853 -15.8853 -13.0036 -13.0036 -12.9153 -12.9153 -12.8931 -12.8931 -3.1106 -3.1106 5.1190 5.1190 7.5954 7.5954 10.5486 10.5486 11.6782 11.6782 14.4026 14.4026 14.9893 14.9893 k = 0.0000 0.3085-0.0000 ( 5752 PWs) bands (ev): -38.9333 -38.9333 -15.9455 -15.9455 -15.8848 -15.8848 -13.0027 -13.0027 -12.9156 -12.9156 -12.8917 -12.8917 -3.0547 -3.0547 4.9610 4.9610 7.6500 7.6500 10.5874 10.5874 11.7412 11.7412 14.2467 14.2467 14.9429 14.9429 k = 0.0000 0.3191-0.0000 ( 5744 PWs) bands (ev): -38.9332 -38.9332 -15.9450 -15.9450 -15.8844 -15.8844 -13.0019 -13.0019 -12.9161 -12.9161 -12.8902 -12.8902 -2.9987 -2.9987 4.8059 4.8059 7.7079 7.7079 10.6266 10.6266 11.8045 11.8045 14.0941 14.0941 14.8883 14.8883 k = 0.0000 0.3298-0.0000 ( 5744 PWs) bands (ev): -38.9331 -38.9331 -15.9444 -15.9444 -15.8840 -15.8840 -13.0013 -13.0013 -12.9166 -12.9166 -12.8885 -12.8885 -2.9426 -2.9426 4.6545 4.6545 7.7682 7.7682 10.6660 10.6660 11.8677 11.8677 13.9453 13.9453 14.8273 14.8273 k = 0.0000 0.3404-0.0000 ( 5746 PWs) bands (ev): -38.9331 -38.9331 -15.9439 -15.9439 -15.8836 -15.8836 -13.0007 -13.0007 -12.9171 -12.9171 -12.8867 -12.8867 -2.8869 -2.8869 4.5077 4.5077 7.8301 7.8301 10.7054 10.7054 11.9304 11.9304 13.8009 13.8009 14.7618 14.7618 k = 0.0000 0.3511-0.0000 ( 5740 PWs) bands (ev): -38.9330 -38.9330 -15.9435 -15.9435 -15.8831 -15.8831 -13.0002 -13.0002 -12.9177 -12.9177 -12.8849 -12.8849 -2.8318 -2.8318 4.3663 4.3663 7.8929 7.8929 10.7447 10.7447 11.9921 11.9921 13.6615 13.6615 14.6938 14.6938 k = 0.0000 0.3617-0.0000 ( 5732 PWs) bands (ev): -38.9330 -38.9330 -15.9431 -15.9431 -15.8827 -15.8827 -12.9998 -12.9998 -12.9182 -12.9182 -12.8831 -12.8831 -2.7777 -2.7777 4.2310 4.2310 7.9561 7.9561 10.7836 10.7836 12.0522 12.0522 13.5277 13.5277 14.6251 14.6251 k = 0.0000 0.3723-0.0000 ( 5728 PWs) bands (ev): -38.9329 -38.9329 -15.9427 -15.9427 -15.8823 -15.8823 -12.9995 -12.9995 -12.9188 -12.9188 -12.8813 -12.8813 -2.7251 -2.7251 4.1023 4.1023 8.0188 8.0188 10.8218 10.8218 12.1103 12.1103 13.4002 13.4002 14.5570 14.5570 k = 0.0000 0.3830-0.0000 ( 5724 PWs) bands (ev): -38.9329 -38.9329 -15.9424 -15.9424 -15.8820 -15.8820 -12.9992 -12.9992 -12.9193 -12.9193 -12.8796 -12.8796 -2.6743 -2.6743 3.9809 3.9809 8.0805 8.0805 10.8590 10.8590 12.1657 12.1657 13.2795 13.2795 14.4910 14.4910 k = 0.0000 0.3936-0.0000 ( 5722 PWs) bands (ev): -38.9328 -38.9328 -15.9421 -15.9421 -15.8816 -15.8816 -12.9990 -12.9990 -12.9197 -12.9197 -12.8779 -12.8779 -2.6257 -2.6257 3.8674 3.8674 8.1405 8.1405 10.8948 10.8948 12.2177 12.2177 13.1665 13.1665 14.4281 14.4281 k = 0.0000 0.4043-0.0000 ( 5730 PWs) bands (ev): -38.9328 -38.9328 -15.9418 -15.9418 -15.8813 -15.8813 -12.9989 -12.9989 -12.9202 -12.9202 -12.8764 -12.8764 -2.5798 -2.5798 3.7625 3.7625 8.1981 8.1981 10.9290 10.9290 12.2656 12.2656 13.0621 13.0621 14.3692 14.3692 k = 0.0000 0.4149-0.0000 ( 5716 PWs) bands (ev): -38.9327 -38.9327 -15.9415 -15.9415 -15.8810 -15.8810 -12.9988 -12.9988 -12.9205 -12.9205 -12.8749 -12.8749 -2.5370 -2.5370 3.6666 3.6666 8.2525 8.2525 10.9611 10.9611 12.3084 12.3084 12.9673 12.9673 14.3151 14.3151 k = 0.0000 0.4255-0.0000 ( 5716 PWs) bands (ev): -38.9327 -38.9327 -15.9413 -15.9413 -15.8808 -15.8808 -12.9987 -12.9987 -12.9209 -12.9209 -12.8736 -12.8736 -2.4979 -2.4979 3.5804 3.5804 8.3031 8.3031 10.9908 10.9908 12.3452 12.3452 12.8834 12.8834 14.2664 14.2664 k = 0.0000 0.4362-0.0000 ( 5716 PWs) bands (ev): -38.9327 -38.9327 -15.9411 -15.9411 -15.8805 -15.8805 -12.9987 -12.9987 -12.9211 -12.9211 -12.8725 -12.8725 -2.4628 -2.4628 3.5044 3.5044 8.3490 8.3490 11.0176 11.0176 12.3750 12.3750 12.8116 12.8116 14.2237 14.2237 k = 0.0000 0.4468-0.0000 ( 5706 PWs) bands (ev): -38.9327 -38.9327 -15.9410 -15.9410 -15.8803 -15.8803 -12.9987 -12.9987 -12.9214 -12.9214 -12.8715 -12.8715 -2.4323 -2.4323 3.4392 3.4392 8.3894 8.3894 11.0411 11.0411 12.3964 12.3964 12.7535 12.7535 14.1872 14.1872 k = 0.0000 0.4574-0.0000 ( 5708 PWs) bands (ev): -38.9326 -38.9326 -15.9409 -15.9409 -15.8802 -15.8802 -12.9987 -12.9987 -12.9216 -12.9216 -12.8706 -12.8706 -2.4067 -2.4067 3.3850 3.3850 8.4237 8.4237 11.0609 11.0609 12.4090 12.4090 12.7102 12.7102 14.1573 14.1573 k = 0.0000 0.4681-0.0000 ( 5708 PWs) bands (ev): -38.9326 -38.9326 -15.9408 -15.9408 -15.8800 -15.8800 -12.9987 -12.9987 -12.9217 -12.9217 -12.8700 -12.8700 -2.3864 -2.3864 3.3425 3.3425 8.4512 8.4512 11.0767 11.0767 12.4133 12.4133 12.6813 12.6813 14.1339 14.1339 k = 0.0000 0.4787-0.0000 ( 5706 PWs) bands (ev): -38.9326 -38.9326 -15.9407 -15.9407 -15.8799 -15.8799 -12.9987 -12.9987 -12.9218 -12.9218 -12.8695 -12.8695 -2.3716 -2.3716 3.3119 3.3119 8.4712 8.4712 11.0883 11.0883 12.4122 12.4122 12.6646 12.6646 14.1173 14.1173 k = 0.0000 0.4894-0.0000 ( 5696 PWs) bands (ev): -38.9326 -38.9326 -15.9406 -15.9406 -15.8799 -15.8799 -12.9987 -12.9987 -12.9219 -12.9219 -12.8692 -12.8692 -2.3627 -2.3627 3.2934 3.2934 8.4835 8.4835 11.0953 11.0953 12.4094 12.4094 12.6565 12.6565 14.1073 14.1073 k = 0.0000 0.5000-0.0000 ( 5696 PWs) bands (ev): -38.9326 -38.9326 -15.9406 -15.9406 -15.8799 -15.8799 -12.9987 -12.9987 -12.9219 -12.9219 -12.8691 -12.8691 -2.3597 -2.3597 3.2872 3.2872 8.4876 8.4876 11.0977 11.0977 12.4081 12.4081 12.6541 12.6541 14.1040 14.1040 k = 0.0000 0.5000-0.0000 ( 5696 PWs) bands (ev): -38.9326 -38.9326 -15.9406 -15.9406 -15.8799 -15.8799 -12.9987 -12.9987 -12.9219 -12.9219 -12.8691 -12.8691 -2.3597 -2.3597 3.2872 3.2872 8.4876 8.4876 11.0977 11.0977 12.4081 12.4081 12.6541 12.6541 14.1040 14.1040 k = 0.0106 0.5000-0.0000 ( 5704 PWs) bands (ev): -38.9326 -38.9326 -15.9406 -15.9406 -15.8799 -15.8799 -12.9986 -12.9986 -12.9219 -12.9219 -12.8691 -12.8691 -2.3585 -2.3585 3.2884 3.2884 8.4885 8.4885 11.0950 11.0950 12.4092 12.4092 12.6431 12.6431 14.1019 14.1019 k = 0.0213 0.5000-0.0000 ( 5712 PWs) bands (ev): -38.9326 -38.9326 -15.9405 -15.9405 -15.8799 -15.8799 -12.9983 -12.9983 -12.9220 -12.9220 -12.8692 -12.8692 -2.3547 -2.3547 3.2921 3.2921 8.4913 8.4913 11.0866 11.0866 12.4127 12.4127 12.6110 12.6110 14.0960 14.0960 k = 0.0319 0.5000-0.0000 ( 5716 PWs) bands (ev): -38.9326 -38.9326 -15.9402 -15.9402 -15.8799 -15.8799 -12.9978 -12.9978 -12.9221 -12.9221 -12.8693 -12.8693 -2.3484 -2.3484 3.2981 3.2981 8.4959 8.4959 11.0719 11.0719 12.4183 12.4183 12.5604 12.5604 14.0869 14.0869 k = 0.0426 0.5000-0.0000 ( 5722 PWs) bands (ev): -38.9326 -38.9326 -15.9399 -15.9399 -15.8800 -15.8800 -12.9970 -12.9970 -12.9223 -12.9223 -12.8695 -12.8695 -2.3396 -2.3396 3.3066 3.3066 8.5022 8.5022 11.0495 11.0495 12.4248 12.4248 12.4962 12.4962 14.0756 14.0756 k = 0.0532 0.5000-0.0000 ( 5714 PWs) bands (ev): -38.9326 -38.9326 -15.9395 -15.9395 -15.8800 -15.8800 -12.9961 -12.9961 -12.9225 -12.9225 -12.8697 -12.8697 -2.3283 -2.3283 3.3175 3.3175 8.5101 8.5101 11.0175 11.0175 12.4075 12.4075 12.4481 12.4481 14.0628 14.0628 k = 0.0638 0.5000-0.0000 ( 5718 PWs) bands (ev): -38.9325 -38.9325 -15.9391 -15.9391 -15.8801 -15.8801 -12.9951 -12.9951 -12.9227 -12.9227 -12.8699 -12.8699 -2.3145 -2.3145 3.3307 3.3307 8.5193 8.5193 10.9736 10.9736 12.3329 12.3329 12.4555 12.4555 14.0491 14.0491 k = 0.0745 0.5000-0.0000 ( 5724 PWs) bands (ev): -38.9325 -38.9325 -15.9385 -15.9385 -15.8802 -15.8802 -12.9938 -12.9938 -12.9229 -12.9229 -12.8701 -12.8701 -2.2982 -2.2982 3.3462 3.3462 8.5295 8.5295 10.9156 10.9156 12.2547 12.2547 12.4704 12.4704 14.0347 14.0347 k = 0.0851 0.5000-0.0000 ( 5728 PWs) bands (ev): -38.9325 -38.9325 -15.9379 -15.9379 -15.8802 -15.8802 -12.9924 -12.9924 -12.9232 -12.9232 -12.8704 -12.8704 -2.2794 -2.2794 3.3641 3.3641 8.5404 8.5404 10.8413 10.8413 12.1829 12.1829 12.4883 12.4883 14.0194 14.0194 k = 0.0957 0.5000-0.0000 ( 5732 PWs) bands (ev): -38.9325 -38.9325 -15.9372 -15.9372 -15.8803 -15.8803 -12.9908 -12.9908 -12.9235 -12.9235 -12.8707 -12.8707 -2.2582 -2.2582 3.3842 3.3842 8.5513 8.5513 10.7498 10.7498 12.1221 12.1221 12.5089 12.5089 14.0028 14.0028 k = 0.1064 0.5000-0.0000 ( 5732 PWs) bands (ev): -38.9324 -38.9324 -15.9364 -15.9364 -15.8804 -15.8804 -12.9891 -12.9891 -12.9238 -12.9238 -12.8710 -12.8710 -2.2346 -2.2346 3.4065 3.4065 8.5616 8.5616 10.6420 10.6420 12.0746 12.0746 12.5320 12.5320 13.9839 13.9839 k = 0.1170 0.5000-0.0000 ( 5732 PWs) bands (ev): -38.9324 -38.9324 -15.9356 -15.9356 -15.8806 -15.8806 -12.9873 -12.9873 -12.9241 -12.9241 -12.8714 -12.8714 -2.2086 -2.2086 3.4310 3.4310 8.5703 8.5703 10.5201 10.5201 12.0411 12.0411 12.5575 12.5575 13.9614 13.9614 k = 0.1277 0.5000-0.0000 ( 5732 PWs) bands (ev): -38.9323 -38.9323 -15.9347 -15.9347 -15.8807 -15.8807 -12.9855 -12.9855 -12.9243 -12.9243 -12.8717 -12.8717 -2.1801 -2.1801 3.4576 3.4576 8.5759 8.5759 10.3880 10.3880 12.0208 12.0208 12.5854 12.5854 13.9328 13.9328 k = 0.1383 0.5000-0.0000 ( 5728 PWs) bands (ev): -38.9323 -38.9323 -15.9338 -15.9338 -15.8808 -15.8808 -12.9836 -12.9836 -12.9246 -12.9246 -12.8720 -12.8720 -2.1494 -2.1494 3.4862 3.4862 8.5766 8.5766 10.2505 10.2505 12.0124 12.0124 12.6157 12.6157 13.8942 13.8942 k = 0.1489 0.5000-0.0000 ( 5720 PWs) bands (ev): -38.9322 -38.9322 -15.9328 -15.9328 -15.8809 -15.8809 -12.9816 -12.9816 -12.9247 -12.9247 -12.8723 -12.8723 -2.1163 -2.1163 3.5167 3.5167 8.5697 8.5697 10.1128 10.1128 12.0142 12.0142 12.6484 12.6484 13.8397 13.8397 k = 0.1596 0.5000-0.0000 ( 5728 PWs) bands (ev): -38.9322 -38.9322 -15.9318 -15.9318 -15.8811 -15.8811 -12.9797 -12.9797 -12.9247 -12.9247 -12.8726 -12.8726 -2.0809 -2.0809 3.5490 3.5490 8.5519 8.5519 9.9809 9.9809 12.0247 12.0247 12.6835 12.6835 13.7624 13.7624 k = 0.1702 0.5000-0.0000 ( 5736 PWs) bands (ev): -38.9321 -38.9321 -15.9308 -15.9308 -15.8812 -15.8812 -12.9779 -12.9779 -12.9246 -12.9246 -12.8729 -12.8729 -2.0433 -2.0433 3.5832 3.5832 8.5191 8.5191 9.8609 9.8609 12.0426 12.0426 12.7208 12.7208 13.6588 13.6588 k = 0.1809 0.5000-0.0000 ( 5738 PWs) bands (ev): -38.9321 -38.9321 -15.9297 -15.9297 -15.8814 -15.8814 -12.9762 -12.9762 -12.9243 -12.9243 -12.8732 -12.8732 -2.0036 -2.0036 3.6189 3.6189 8.4670 8.4670 9.7588 9.7588 12.0669 12.0669 12.7604 12.7604 13.5322 13.5322 k = 0.1915 0.5000-0.0000 ( 5738 PWs) bands (ev): -38.9320 -38.9320 -15.9286 -15.9286 -15.8815 -15.8815 -12.9747 -12.9747 -12.9238 -12.9238 -12.8734 -12.8734 -1.9617 -1.9617 3.6562 3.6562 8.3924 8.3924 9.6790 9.6790 12.0967 12.0967 12.8022 12.8022 13.3900 13.3900 k = 0.2021 0.5000-0.0000 ( 5746 PWs) bands (ev): -38.9320 -38.9320 -15.9275 -15.9275 -15.8816 -15.8816 -12.9734 -12.9734 -12.9230 -12.9230 -12.8736 -12.8736 -1.9178 -1.9178 3.6949 3.6949 8.2947 8.2947 9.6236 9.6236 12.1314 12.1314 12.8457 12.8457 13.2394 13.2394 k = 0.2128 0.5000-0.0000 ( 5738 PWs) bands (ev): -38.9319 -38.9319 -15.9264 -15.9264 -15.8818 -15.8818 -12.9724 -12.9724 -12.9220 -12.9220 -12.8738 -12.8738 -1.8719 -1.8719 3.7348 3.7348 8.1759 8.1759 9.5913 9.5913 12.1704 12.1704 12.8895 12.8895 13.0865 13.0865 k = 0.2234 0.5000-0.0000 ( 5736 PWs) bands (ev): -38.9318 -38.9318 -15.9253 -15.9253 -15.8819 -15.8819 -12.9717 -12.9717 -12.9206 -12.9206 -12.8739 -12.8739 -1.8241 -1.8241 3.7757 3.7757 8.0399 8.0399 9.5789 9.5789 12.2131 12.2131 12.8991 12.8991 12.9689 12.9689 k = 0.2340 0.5000-0.0000 ( 5748 PWs) bands (ev): -38.9318 -38.9318 -15.9242 -15.9242 -15.8820 -15.8820 -12.9712 -12.9712 -12.9190 -12.9190 -12.8740 -12.8740 -1.7746 -1.7746 3.8176 3.8176 7.8912 7.8912 9.5826 9.5826 12.2587 12.2587 12.7629 12.7629 13.0003 13.0003 k = 0.2447 0.5000-0.0000 ( 5742 PWs) bands (ev): -38.9317 -38.9317 -15.9231 -15.9231 -15.8822 -15.8822 -12.9710 -12.9710 -12.9170 -12.9170 -12.8741 -12.8741 -1.7234 -1.7234 3.8600 3.8600 7.7340 7.7340 9.5987 9.5987 12.3050 12.3050 12.6134 12.6134 13.0514 13.0514 k = 0.2553 0.5000-0.0000 ( 5742 PWs) bands (ev): -38.9317 -38.9317 -15.9220 -15.9220 -15.8823 -15.8823 -12.9712 -12.9712 -12.9148 -12.9148 -12.8741 -12.8741 -1.6707 -1.6707 3.9029 3.9029 7.5717 7.5717 9.6244 9.6244 12.3385 12.3385 12.4805 12.4805 13.1060 13.1060 k = 0.2660 0.5000-0.0000 ( 5738 PWs) bands (ev): -38.9316 -38.9316 -15.9210 -15.9210 -15.8824 -15.8824 -12.9715 -12.9715 -12.9124 -12.9124 -12.8741 -12.8741 -1.6165 -1.6165 3.9460 3.9460 7.4070 7.4070 9.6574 9.6574 12.2726 12.2726 12.4526 12.4526 13.1631 13.1631 k = 0.2766 0.5000-0.0000 ( 5736 PWs) bands (ev): -38.9315 -38.9315 -15.9200 -15.9200 -15.8825 -15.8825 -12.9721 -12.9721 -12.9098 -12.9098 -12.8741 -12.8741 -1.5612 -1.5612 3.9889 3.9889 7.2420 7.2420 9.6958 9.6958 12.1367 12.1367 12.5006 12.5006 13.2223 13.2223 k = 0.2872 0.5000-0.0000 ( 5736 PWs) bands (ev): -38.9315 -38.9315 -15.9190 -15.9190 -15.8826 -15.8826 -12.9728 -12.9728 -12.9070 -12.9070 -12.8740 -12.8740 -1.5048 -1.5048 4.0313 4.0313 7.0785 7.0785 9.7385 9.7385 11.9953 11.9953 12.5605 12.5605 13.2835 13.2835 k = 0.2979 0.5000-0.0000 ( 5736 PWs) bands (ev): -38.9314 -38.9314 -15.9180 -15.9180 -15.8827 -15.8827 -12.9737 -12.9737 -12.9042 -12.9042 -12.8739 -12.8739 -1.4475 -1.4475 4.0728 4.0728 6.9180 6.9180 9.7842 9.7842 11.8557 11.8557 12.6251 12.6251 13.3465 13.3465 k = 0.3085 0.5000-0.0000 ( 5728 PWs) bands (ev): -38.9314 -38.9314 -15.9171 -15.9171 -15.8827 -15.8827 -12.9747 -12.9747 -12.9013 -12.9013 -12.8737 -12.8737 -1.3897 -1.3897 4.1130 4.1130 6.7615 6.7615 9.8323 9.8323 11.7196 11.7196 12.6930 12.6930 13.4112 13.4112 k = 0.3191 0.5000-0.0000 ( 5738 PWs) bands (ev): -38.9313 -38.9313 -15.9163 -15.9163 -15.8828 -15.8828 -12.9757 -12.9757 -12.8985 -12.8985 -12.8735 -12.8735 -1.3315 -1.3315 4.1514 4.1514 6.6103 6.6103 9.8819 9.8819 11.5877 11.5877 12.7638 12.7638 13.4775 13.4775 k = 0.3298 0.5000-0.0000 ( 5734 PWs) bands (ev): -38.9312 -38.9312 -15.9154 -15.9154 -15.8828 -15.8828 -12.9768 -12.9768 -12.8957 -12.8957 -12.8731 -12.8731 -1.2731 -1.2731 4.1874 4.1874 6.4655 6.4655 9.9325 9.9325 11.4604 11.4604 12.8370 12.8370 13.5452 13.5452 k = 0.3404 0.5000-0.0000 ( 5736 PWs) bands (ev): -38.9312 -38.9312 -15.9147 -15.9147 -15.8828 -15.8828 -12.9780 -12.9780 -12.8931 -12.8931 -12.8728 -12.8728 -1.2150 -1.2150 4.2205 4.2205 6.3280 6.3280 9.9834 9.9834 11.3382 11.3382 12.9123 12.9123 13.6141 13.6141 k = 0.3511 0.5000-0.0000 ( 5744 PWs) bands (ev): -38.9311 -38.9311 -15.9140 -15.9140 -15.8829 -15.8829 -12.9791 -12.9791 -12.8906 -12.8906 -12.8723 -12.8723 -1.1575 -1.1575 4.2500 4.2500 6.1989 6.1989 10.0341 10.0341 11.2216 11.2216 12.9895 12.9895 13.6839 13.6839 k = 0.3617 0.5000-0.0000 ( 5744 PWs) bands (ev): -38.9311 -38.9311 -15.9133 -15.9133 -15.8829 -15.8829 -12.9803 -12.9803 -12.8882 -12.8882 -12.8717 -12.8717 -1.1009 -1.1009 4.2752 4.2752 6.0792 6.0792 10.0841 10.0841 11.1108 11.1108 13.0683 13.0683 13.7544 13.7544 k = 0.3723 0.5000-0.0000 ( 5740 PWs) bands (ev): -38.9310 -38.9310 -15.9127 -15.9127 -15.8829 -15.8829 -12.9814 -12.9814 -12.8862 -12.8862 -12.8709 -12.8709 -1.0456 -1.0456 4.2955 4.2955 5.9699 5.9699 10.1328 10.1328 11.0062 11.0062 13.1481 13.1481 13.8251 13.8251 k = 0.3830 0.5000-0.0000 ( 5744 PWs) bands (ev): -38.9310 -38.9310 -15.9121 -15.9121 -15.8829 -15.8829 -12.9825 -12.9825 -12.8844 -12.8844 -12.8700 -12.8700 -0.9921 -0.9921 4.3104 4.3104 5.8718 5.8718 10.1797 10.1797 10.9084 10.9084 13.2286 13.2286 13.8957 13.8957 k = 0.3936 0.5000-0.0000 ( 5740 PWs) bands (ev): -38.9310 -38.9310 -15.9116 -15.9116 -15.8829 -15.8829 -12.9835 -12.9835 -12.8829 -12.8829 -12.8690 -12.8690 -0.9409 -0.9409 4.3195 4.3195 5.7854 5.7854 10.2242 10.2242 10.8178 10.8178 13.3090 13.3090 13.9651 13.9651 k = 0.4043 0.5000-0.0000 ( 5736 PWs) bands (ev): -38.9309 -38.9309 -15.9112 -15.9112 -15.8828 -15.8828 -12.9845 -12.9845 -12.8818 -12.8818 -12.8679 -12.8679 -0.8923 -0.8923 4.3226 4.3226 5.7113 5.7113 10.2657 10.2657 10.7348 10.7348 13.3884 13.3884 13.9999 13.9999 k = 0.4149 0.5000-0.0000 ( 5736 PWs) bands (ev): -38.9309 -38.9309 -15.9108 -15.9108 -15.8828 -15.8828 -12.9853 -12.9853 -12.8808 -12.8808 -12.8667 -12.8667 -0.8470 -0.8470 4.3202 4.3202 5.6492 5.6492 10.3034 10.3034 10.6603 10.6603 13.4656 13.4656 14.0064 14.0064 k = 0.4255 0.5000-0.0000 ( 5736 PWs) bands (ev): -38.9309 -38.9309 -15.9104 -15.9104 -15.8828 -15.8828 -12.9861 -12.9861 -12.8801 -12.8801 -12.8655 -12.8655 -0.8054 -0.8054 4.3131 4.3131 5.5987 5.5987 10.3361 10.3361 10.5953 10.5953 13.5390 13.5390 14.0150 14.0150 k = 0.4362 0.5000-0.0000 ( 5740 PWs) bands (ev): -38.9308 -38.9308 -15.9101 -15.9101 -15.8828 -15.8828 -12.9868 -12.9868 -12.8796 -12.8796 -12.8644 -12.8644 -0.7681 -0.7681 4.3024 4.3024 5.5588 5.5588 10.3618 10.3618 10.5418 10.5418 13.6064 13.6064 14.0271 14.0271 k = 0.4468 0.5000-0.0000 ( 5740 PWs) bands (ev): -38.9308 -38.9308 -15.9099 -15.9099 -15.8827 -15.8827 -12.9874 -12.9874 -12.8791 -12.8791 -12.8633 -12.8633 -0.7355 -0.7355 4.2895 4.2895 5.5283 5.5283 10.3761 10.3761 10.5041 10.5041 13.6654 13.6654 14.0432 14.0432 k = 0.4574 0.5000-0.0000 ( 5744 PWs) bands (ev): -38.9308 -38.9308 -15.9097 -15.9097 -15.8827 -15.8827 -12.9879 -12.9879 -12.8788 -12.8788 -12.8624 -12.8624 -0.7081 -0.7081 4.2762 4.2762 5.5058 5.5058 10.3739 10.3739 10.4871 10.4871 13.7139 13.7139 14.0633 14.0633 k = 0.4681 0.5000-0.0000 ( 5756 PWs) bands (ev): -38.9308 -38.9308 -15.9095 -15.9095 -15.8827 -15.8827 -12.9884 -12.9884 -12.8786 -12.8786 -12.8617 -12.8617 -0.6864 -0.6864 4.2640 4.2640 5.4899 5.4899 10.3594 10.3594 10.4868 10.4868 13.7504 13.7504 14.0857 14.0857 k = 0.4787 0.5000-0.0000 ( 5756 PWs) bands (ev): -38.9308 -38.9308 -15.9094 -15.9094 -15.8827 -15.8827 -12.9886 -12.9886 -12.8785 -12.8785 -12.8612 -12.8612 -0.6706 -0.6706 4.2543 4.2543 5.4795 5.4795 10.3435 10.3435 10.4922 10.4922 13.7751 13.7751 14.1068 14.1068 k = 0.4894 0.5000-0.0000 ( 5756 PWs) bands (ev): -38.9308 -38.9308 -15.9093 -15.9093 -15.8827 -15.8827 -12.9888 -12.9888 -12.8784 -12.8784 -12.8609 -12.8609 -0.6610 -0.6610 4.2480 4.2480 5.4736 5.4736 10.3325 10.3325 10.4969 10.4969 13.7891 13.7891 14.1221 14.1221 k = 0.5000 0.5000-0.0000 ( 5756 PWs) bands (ev): -38.9308 -38.9308 -15.9093 -15.9093 -15.8827 -15.8827 -12.9889 -12.9889 -12.8783 -12.8783 -12.8608 -12.8608 -0.6577 -0.6577 4.2458 4.2458 5.4717 5.4717 10.3286 10.3286 10.4986 10.4986 13.7936 13.7936 14.1277 14.1277 k = 0.5000 0.5000-0.0000 ( 5756 PWs) bands (ev): -38.9308 -38.9308 -15.9093 -15.9093 -15.8827 -15.8827 -12.9889 -12.9889 -12.8783 -12.8783 -12.8608 -12.8608 -0.6577 -0.6577 4.2458 4.2458 5.4717 5.4717 10.3286 10.3286 10.4986 10.4986 13.7936 13.7936 14.1277 14.1277 k = 0.4924 0.4924-0.0000 ( 5756 PWs) bands (ev): -38.9308 -38.9308 -15.9093 -15.9093 -15.8827 -15.8827 -12.9888 -12.9888 -12.8784 -12.8784 -12.8609 -12.8609 -0.6610 -0.6610 4.2481 4.2481 5.4737 5.4737 10.3326 10.3326 10.4968 10.4968 13.7890 13.7890 14.1221 14.1221 k = 0.4848 0.4848-0.0000 ( 5756 PWs) bands (ev): -38.9308 -38.9308 -15.9094 -15.9094 -15.8827 -15.8827 -12.9886 -12.9886 -12.8785 -12.8785 -12.8612 -12.8612 -0.6708 -0.6708 4.2547 4.2547 5.4794 5.4794 10.3437 10.3437 10.4921 10.4921 13.7741 13.7741 14.1074 14.1074 k = 0.4773 0.4773-0.0000 ( 5756 PWs) bands (ev): -38.9308 -38.9308 -15.9095 -15.9095 -15.8827 -15.8827 -12.9883 -12.9883 -12.8786 -12.8786 -12.8617 -12.8617 -0.6869 -0.6869 4.2657 4.2657 5.4889 5.4889 10.3597 10.3597 10.4866 10.4866 13.7465 13.7465 14.0890 14.0890 k = 0.4697 0.4697-0.0000 ( 5748 PWs) bands (ev): -38.9308 -38.9308 -15.9097 -15.9097 -15.8827 -15.8827 -12.9879 -12.9879 -12.8788 -12.8788 -12.8625 -12.8625 -0.7093 -0.7093 4.2810 4.2810 5.5021 5.5021 10.3738 10.3738 10.4872 10.4872 13.7037 13.7037 14.0733 14.0733 k = 0.4621 0.4621-0.0000 ( 5744 PWs) bands (ev): -38.9308 -38.9308 -15.9099 -15.9099 -15.8827 -15.8827 -12.9874 -12.9874 -12.8791 -12.8791 -12.8635 -12.8635 -0.7378 -0.7378 4.3005 4.3005 5.5191 5.5191 10.3742 10.3742 10.5054 10.5054 13.6454 13.6454 14.0640 14.0640 k = 0.4545 0.4545-0.0000 ( 5740 PWs) bands (ev): -38.9308 -38.9308 -15.9101 -15.9101 -15.8828 -15.8828 -12.9868 -12.9868 -12.8794 -12.8794 -12.8647 -12.8647 -0.7721 -0.7721 4.3241 4.3241 5.5398 5.5398 10.3568 10.3568 10.5451 10.5451 13.5740 13.5740 14.0617 14.0617 k = 0.4470 0.4470-0.0000 ( 5742 PWs) bands (ev): -38.9309 -38.9309 -15.9104 -15.9104 -15.8828 -15.8828 -12.9860 -12.9860 -12.8797 -12.8797 -12.8660 -12.8660 -0.8119 -0.8119 4.3516 4.3516 5.5642 5.5642 10.3269 10.3269 10.6009 10.6009 13.4927 13.4927 14.0640 14.0640 k = 0.4394 0.4394-0.0000 ( 5746 PWs) bands (ev): -38.9309 -38.9309 -15.9108 -15.9108 -15.8829 -15.8829 -12.9852 -12.9852 -12.8802 -12.8802 -12.8676 -12.8676 -0.8569 -0.8569 4.3830 4.3830 5.5921 5.5921 10.2884 10.2884 10.6686 10.6686 13.4049 13.4049 14.0665 14.0665 k = 0.4318 0.4318-0.0000 ( 5750 PWs) bands (ev): -38.9309 -38.9309 -15.9111 -15.9111 -15.8829 -15.8829 -12.9842 -12.9842 -12.8807 -12.8807 -12.8694 -12.8694 -0.9067 -0.9067 4.4181 4.4181 5.6236 5.6236 10.2431 10.2431 10.7464 10.7464 13.3131 13.3131 14.0623 14.0623 k = 0.4242 0.4242-0.0000 ( 5746 PWs) bands (ev): -38.9310 -38.9310 -15.9116 -15.9116 -15.8830 -15.8830 -12.9832 -12.9832 -12.8812 -12.8812 -12.8714 -12.8714 -0.9611 -0.9611 4.4566 4.4566 5.6586 5.6586 10.1917 10.1917 10.8331 10.8331 13.2193 13.2193 14.0480 14.0480 k = 0.4167 0.4167-0.0000 ( 5746 PWs) bands (ev): -38.9310 -38.9310 -15.9120 -15.9120 -15.8831 -15.8831 -12.9820 -12.9820 -12.8818 -12.8818 -12.8735 -12.8735 -1.0195 -1.0195 4.4986 4.4986 5.6970 5.6970 10.1349 10.1349 10.9278 10.9278 13.1252 13.1252 14.0291 14.0291 k = 0.4091 0.4091-0.0000 ( 5750 PWs) bands (ev): -38.9311 -38.9311 -15.9126 -15.9126 -15.8831 -15.8831 -12.9808 -12.9808 -12.8824 -12.8824 -12.8758 -12.8758 -1.0817 -1.0817 4.5438 4.5438 5.7388 5.7388 10.0729 10.0729 11.0297 11.0297 13.0321 13.0321 14.0115 14.0115 k = 0.4015 0.4015-0.0000 ( 5758 PWs) bands (ev): -38.9311 -38.9311 -15.9131 -15.9131 -15.8832 -15.8832 -12.9795 -12.9795 -12.8832 -12.8832 -12.8782 -12.8782 -1.1473 -1.1473 4.5920 4.5920 5.7838 5.7838 10.0063 10.0063 11.1379 11.1379 12.9413 12.9413 13.9981 13.9981 k = 0.3939 0.3939-0.0000 ( 5754 PWs) bands (ev): -38.9312 -38.9312 -15.9138 -15.9138 -15.8833 -15.8833 -12.9781 -12.9781 -12.8839 -12.8839 -12.8808 -12.8808 -1.2158 -1.2158 4.6433 4.6433 5.8322 5.8322 9.9354 9.9354 11.2509 11.2509 12.8544 12.8544 13.9902 13.9902 k = 0.3864 0.3864-0.0000 ( 5756 PWs) bands (ev): -38.9312 -38.9312 -15.9144 -15.9144 -15.8834 -15.8834 -12.9766 -12.9766 -12.8849 -12.8849 -12.8834 -12.8834 -1.2870 -1.2870 4.6973 4.6973 5.8837 5.8837 9.8607 9.8607 11.3668 11.3668 12.7733 12.7733 13.9886 13.9886 k = 0.3788 0.3788-0.0000 ( 5752 PWs) bands (ev): -38.9313 -38.9313 -15.9151 -15.9151 -15.8835 -15.8835 -12.9751 -12.9751 -12.8868 -12.8868 -12.8851 -12.8851 -1.3605 -1.3605 4.7541 4.7541 5.9384 5.9384 9.7825 9.7825 11.4826 11.4826 12.7009 12.7009 13.9935 13.9935 k = 0.3712 0.3712-0.0000 ( 5750 PWs) bands (ev): -38.9313 -38.9313 -15.9159 -15.9159 -15.8836 -15.8836 -12.9735 -12.9735 -12.8896 -12.8896 -12.8862 -12.8862 -1.4360 -1.4360 4.8135 4.8135 5.9963 5.9963 9.7013 9.7013 11.5936 11.5936 12.6421 12.6421 14.0051 14.0051 k = 0.3636 0.3636-0.0000 ( 5750 PWs) bands (ev): -38.9314 -38.9314 -15.9166 -15.9166 -15.8837 -15.8837 -12.9719 -12.9719 -12.8927 -12.8927 -12.8871 -12.8871 -1.5131 -1.5131 4.8753 4.8753 6.0572 6.0572 9.6177 9.6177 11.6918 11.6918 12.6042 12.6042 14.0234 14.0234 k = 0.3561 0.3561-0.0000 ( 5740 PWs) bands (ev): -38.9315 -38.9315 -15.9175 -15.9175 -15.8839 -15.8839 -12.9702 -12.9702 -12.8958 -12.8958 -12.8881 -12.8881 -1.5915 -1.5915 4.9396 4.9396 6.1212 6.1212 9.5320 9.5320 11.7663 11.7663 12.5981 12.5981 14.0485 14.0485 k = 0.3485 0.3485-0.0000 ( 5740 PWs) bands (ev): -38.9315 -38.9315 -15.9183 -15.9183 -15.8840 -15.8840 -12.9686 -12.9686 -12.8989 -12.8989 -12.8891 -12.8891 -1.6711 -1.6711 5.0060 5.0060 6.1882 6.1882 9.4447 9.4447 11.8066 11.8066 12.6339 12.6339 14.0804 14.0804 k = 0.3409 0.3409-0.0000 ( 5736 PWs) bands (ev): -38.9316 -38.9316 -15.9193 -15.9193 -15.8841 -15.8841 -12.9669 -12.9669 -12.9021 -12.9021 -12.8902 -12.8902 -1.7514 -1.7514 5.0746 5.0746 6.2582 6.2582 9.3562 9.3562 11.8102 11.8102 12.7137 12.7137 14.1190 14.1190 k = 0.3333 0.3333-0.0000 ( 5740 PWs) bands (ev): -38.9317 -38.9317 -15.9202 -15.9202 -15.8843 -15.8843 -12.9653 -12.9653 -12.9053 -12.9053 -12.8912 -12.8912 -1.8322 -1.8322 5.1453 5.1453 6.3312 6.3312 9.2671 9.2671 11.7845 11.7845 12.8295 12.8295 14.1644 14.1644 k = 0.3258 0.3258-0.0000 ( 5742 PWs) bands (ev): -38.9318 -38.9318 -15.9212 -15.9212 -15.8844 -15.8844 -12.9638 -12.9638 -12.9084 -12.9084 -12.8924 -12.8924 -1.9133 -1.9133 5.2178 5.2178 6.4072 6.4072 9.1777 9.1777 11.7397 11.7397 12.9706 12.9706 14.2168 14.2168 k = 0.3182 0.3182-0.0000 ( 5742 PWs) bands (ev): -38.9319 -38.9319 -15.9222 -15.9222 -15.8846 -15.8846 -12.9623 -12.9623 -12.9115 -12.9115 -12.8935 -12.8935 -1.9946 -1.9946 5.2920 5.2920 6.4860 6.4860 9.0885 9.0885 11.6837 11.6837 13.1283 13.1283 14.2766 14.2766 k = 0.3106 0.3106-0.0000 ( 5742 PWs) bands (ev): -38.9319 -38.9319 -15.9233 -15.9233 -15.8848 -15.8848 -12.9611 -12.9611 -12.9143 -12.9143 -12.8947 -12.8947 -2.0757 -2.0757 5.3678 5.3678 6.5678 6.5678 8.9999 8.9999 11.6214 11.6214 13.2964 13.2964 14.3441 14.3441 k = 0.3030 0.3030-0.0000 ( 5742 PWs) bands (ev): -38.9320 -38.9320 -15.9244 -15.9244 -15.8849 -15.8849 -12.9601 -12.9601 -12.9170 -12.9170 -12.8958 -12.8958 -2.1564 -2.1564 5.4451 5.4451 6.6526 6.6526 8.9124 8.9124 11.5559 11.5559 13.4708 13.4708 14.4202 14.4202 k = 0.2955 0.2955-0.0000 ( 5750 PWs) bands (ev): -38.9321 -38.9321 -15.9255 -15.9255 -15.8851 -15.8851 -12.9595 -12.9595 -12.9192 -12.9192 -12.8971 -12.8971 -2.2367 -2.2367 5.5235 5.5235 6.7401 6.7401 8.8263 8.8263 11.4889 11.4889 13.6479 13.6479 14.5063 14.5063 k = 0.2879 0.2879-0.0000 ( 5744 PWs) bands (ev): -38.9322 -38.9322 -15.9267 -15.9267 -15.8853 -15.8853 -12.9593 -12.9593 -12.9211 -12.9211 -12.8983 -12.8983 -2.3164 -2.3164 5.6029 5.6029 6.8306 6.8306 8.7422 8.7422 11.4215 11.4215 13.8240 13.8240 14.6039 14.6039 k = 0.2803 0.2803-0.0000 ( 5740 PWs) bands (ev): -38.9323 -38.9323 -15.9279 -15.9279 -15.8855 -15.8855 -12.9596 -12.9596 -12.9224 -12.9224 -12.8995 -12.8995 -2.3952 -2.3952 5.6830 5.6830 6.9239 6.9239 8.6604 8.6604 11.3545 11.3545 13.9958 13.9958 14.7152 14.7152 k = 0.2727 0.2727-0.0000 ( 5734 PWs) bands (ev): -38.9324 -38.9324 -15.9291 -15.9291 -15.8857 -15.8857 -12.9605 -12.9605 -12.9231 -12.9231 -12.9008 -12.9008 -2.4730 -2.4730 5.7634 5.7634 7.0200 7.0200 8.5816 8.5816 11.2883 11.2883 14.1595 14.1595 14.8426 14.8426 k = 0.2652 0.2652-0.0000 ( 5729 PWs) bands (ev): -38.9325 -38.9325 -15.9303 -15.9303 -15.8859 -15.8859 -12.9620 -12.9620 -12.9232 -12.9232 -12.9021 -12.9021 -2.5498 -2.5498 5.8438 5.8438 7.1188 7.1188 8.5062 8.5062 11.2232 11.2232 14.3127 14.3127 14.9871 14.9871 k = 0.2576 0.2576-0.0000 ( 5725 PWs) bands (ev): -38.9325 -38.9325 -15.9316 -15.9316 -15.8861 -15.8861 -12.9640 -12.9640 -12.9228 -12.9228 -12.9034 -12.9034 -2.6254 -2.6254 5.9236 5.9236 7.2203 7.2203 8.4348 8.4348 11.1596 11.1596 14.4545 14.4545 15.1481 15.1481 k = 0.2500 0.2500-0.0000 ( 5727 PWs) bands (ev): -38.9326 -38.9326 -15.9329 -15.9329 -15.8863 -15.8863 -12.9664 -12.9664 -12.9219 -12.9219 -12.9046 -12.9046 -2.6996 -2.6996 6.0023 6.0023 7.3245 7.3245 8.3683 8.3683 11.0976 11.0976 14.5859 14.5859 15.3220 15.3220 k = 0.2424 0.2424-0.0000 ( 5725 PWs) bands (ev): -38.9327 -38.9327 -15.9342 -15.9342 -15.8865 -15.8865 -12.9691 -12.9691 -12.9207 -12.9207 -12.9059 -12.9059 -2.7725 -2.7725 6.0792 6.0792 7.4312 7.4312 8.3074 8.3074 11.0372 11.0372 14.7093 14.7093 15.5026 15.5026 k = 0.2348 0.2348-0.0000 ( 5731 PWs) bands (ev): -38.9328 -38.9328 -15.9355 -15.9355 -15.8867 -15.8867 -12.9721 -12.9721 -12.9192 -12.9192 -12.9072 -12.9072 -2.8438 -2.8438 6.1536 6.1536 7.5403 7.5403 8.2532 8.2532 10.9787 10.9787 14.8271 14.8271 15.6810 15.6810 k = 0.2273 0.2273-0.0000 ( 5731 PWs) bands (ev): -38.9329 -38.9329 -15.9368 -15.9368 -15.8870 -15.8870 -12.9753 -12.9753 -12.9176 -12.9176 -12.9085 -12.9085 -2.9134 -2.9134 6.2243 6.2243 7.6515 7.6515 8.2068 8.2068 10.9221 10.9221 14.9412 14.9412 15.8462 15.8462 k = 0.2197 0.2197-0.0000 ( 5739 PWs) bands (ev): -38.9330 -38.9330 -15.9381 -15.9381 -15.8872 -15.8872 -12.9785 -12.9785 -12.9158 -12.9158 -12.9098 -12.9098 -2.9814 -2.9814 6.2905 6.2905 7.7641 7.7641 8.1699 8.1699 10.8674 10.8674 15.0533 15.0533 15.9929 15.9929 k = 0.2121 0.2121-0.0000 ( 5733 PWs) bands (ev): -38.9331 -38.9331 -15.9394 -15.9394 -15.8874 -15.8874 -12.9818 -12.9818 -12.9140 -12.9140 -12.9110 -12.9110 -3.0476 -3.0476 6.3508 6.3508 7.8768 7.8768 8.1451 8.1451 10.8148 10.8148 15.1641 15.1641 16.1256 16.1256 k = 0.2045 0.2045-0.0000 ( 5731 PWs) bands (ev): -38.9332 -38.9332 -15.9407 -15.9407 -15.8876 -15.8876 -12.9851 -12.9851 -12.9128 -12.9128 -12.9115 -12.9115 -3.1120 -3.1120 6.4042 6.4042 7.9834 7.9834 8.1396 8.1396 10.7643 10.7643 15.2743 15.2743 16.2509 16.2509 k = 0.1970 0.1970-0.0000 ( 5733 PWs) bands (ev): -38.9333 -38.9333 -15.9420 -15.9420 -15.8879 -15.8879 -12.9885 -12.9885 -12.9138 -12.9138 -12.9098 -12.9098 -3.1744 -3.1744 6.4494 6.4494 8.0586 8.0586 8.1796 8.1796 10.7160 10.7160 15.3840 15.3840 16.3729 16.3729 k = 0.1894 0.1894-0.0000 ( 5741 PWs) bands (ev): -38.9334 -38.9334 -15.9434 -15.9434 -15.8881 -15.8881 -12.9918 -12.9918 -12.9150 -12.9150 -12.9078 -12.9078 -3.2349 -3.2349 6.4856 6.4856 8.0909 8.0909 8.2775 8.2775 10.6699 10.6699 15.4933 15.4933 16.4936 16.4936 k = 0.1818 0.1818-0.0000 ( 5751 PWs) bands (ev): -38.9334 -38.9334 -15.9447 -15.9447 -15.8883 -15.8883 -12.9950 -12.9950 -12.9162 -12.9162 -12.9058 -12.9058 -3.2934 -3.2934 6.5123 6.5123 8.1181 8.1181 8.3957 8.3957 10.6262 10.6262 15.6019 15.6019 16.6136 16.6136 k = 0.1742 0.1742-0.0000 ( 5759 PWs) bands (ev): -38.9335 -38.9335 -15.9459 -15.9459 -15.8886 -15.8886 -12.9982 -12.9982 -12.9174 -12.9174 -12.9038 -12.9038 -3.3498 -3.3498 6.5295 6.5295 8.1540 8.1540 8.5200 8.5200 10.5848 10.5848 15.7092 15.7092 16.7332 16.7332 k = 0.1667 0.1667-0.0000 ( 5755 PWs) bands (ev): -38.9336 -38.9336 -15.9472 -15.9472 -15.8888 -15.8888 -13.0013 -13.0013 -12.9185 -12.9185 -12.9018 -12.9018 -3.4040 -3.4040 6.5378 6.5378 8.2009 8.2009 8.6473 8.6473 10.5461 10.5461 15.8144 15.8144 16.8516 16.8516 k = 0.1591 0.1591-0.0000 ( 5759 PWs) bands (ev): -38.9337 -38.9337 -15.9484 -15.9484 -15.8890 -15.8890 -13.0044 -13.0044 -12.9197 -12.9197 -12.8999 -12.8999 -3.4561 -3.4561 6.5380 6.5380 8.2587 8.2587 8.7764 8.7764 10.5102 10.5102 15.9160 15.9160 16.9671 16.9671 k = 0.1515 0.1515-0.0000 ( 5747 PWs) bands (ev): -38.9338 -38.9338 -15.9496 -15.9496 -15.8892 -15.8892 -13.0073 -13.0073 -12.9208 -12.9208 -12.8980 -12.8980 -3.5060 -3.5060 6.5314 6.5314 8.3263 8.3263 8.9065 8.9065 10.4772 10.4772 16.0116 16.0116 17.0753 17.0753 k = 0.1439 0.1439-0.0000 ( 5755 PWs) bands (ev): -38.9338 -38.9338 -15.9508 -15.9508 -15.8894 -15.8894 -13.0102 -13.0102 -12.9219 -12.9219 -12.8962 -12.8962 -3.5536 -3.5536 6.5191 6.5191 8.4024 8.4024 9.0369 9.0369 10.4477 10.4477 16.0971 16.0971 17.1579 17.1579 k = 0.1364 0.1364-0.0000 ( 5751 PWs) bands (ev): -38.9339 -38.9339 -15.9520 -15.9520 -15.8897 -15.8897 -13.0129 -13.0129 -12.9229 -12.9229 -12.8944 -12.8944 -3.5990 -3.5990 6.5025 6.5025 8.4857 8.4857 9.1666 9.1666 10.4222 10.4222 16.1653 16.1653 17.1271 17.1271 k = 0.1288 0.1288-0.0000 ( 5749 PWs) bands (ev): -38.9340 -38.9340 -15.9531 -15.9531 -15.8899 -15.8899 -13.0155 -13.0155 -12.9239 -12.9239 -12.8927 -12.8927 -3.6421 -3.6421 6.4826 6.4826 8.5747 8.5747 9.2947 9.2947 10.4015 10.4015 16.2041 16.2041 17.0019 17.0019 k = 0.1212 0.1212-0.0000 ( 5749 PWs) bands (ev): -38.9340 -38.9340 -15.9541 -15.9541 -15.8900 -15.8900 -13.0180 -13.0180 -12.9249 -12.9249 -12.8910 -12.8910 -3.6828 -3.6828 6.4606 6.4606 8.6682 8.6682 9.4194 9.4194 10.3868 10.3868 16.1969 16.1969 16.8809 16.8809 k = 0.1136 0.1136-0.0000 ( 5753 PWs) bands (ev): -38.9341 -38.9341 -15.9551 -15.9551 -15.8902 -15.8902 -13.0204 -13.0204 -12.9258 -12.9258 -12.8894 -12.8894 -3.7212 -3.7212 6.4372 6.4372 8.7650 8.7650 9.5384 9.5384 10.3802 10.3802 16.1337 16.1337 16.7663 16.7663 k = 0.1061 0.1061-0.0000 ( 5761 PWs) bands (ev): -38.9342 -38.9342 -15.9561 -15.9561 -15.8904 -15.8904 -13.0226 -13.0226 -12.9266 -12.9266 -12.8879 -12.8879 -3.7572 -3.7572 6.4131 6.4131 8.8639 8.8639 9.6483 9.6483 10.3846 10.3846 16.0236 16.0236 16.6344 16.6344 k = 0.0985 0.0985-0.0000 ( 5763 PWs) bands (ev): -38.9342 -38.9342 -15.9570 -15.9570 -15.8906 -15.8906 -13.0247 -13.0247 -12.9275 -12.9275 -12.8865 -12.8865 -3.7907 -3.7907 6.3891 6.3891 8.9639 8.9639 9.7445 9.7445 10.4039 10.4039 15.8855 15.8855 16.4796 16.4796 k = 0.0909 0.0909-0.0000 ( 5771 PWs) bands (ev): -38.9343 -38.9343 -15.9579 -15.9579 -15.8908 -15.8908 -13.0267 -13.0267 -12.9282 -12.9282 -12.8852 -12.8852 -3.8219 -3.8219 6.3654 6.3654 9.0638 9.0638 9.8223 9.8223 10.4424 10.4424 15.7344 15.7344 16.3127 16.3127 k = 0.0833 0.0833-0.0000 ( 5769 PWs) bands (ev): -38.9343 -38.9343 -15.9587 -15.9587 -15.8909 -15.8909 -13.0285 -13.0285 -12.9289 -12.9289 -12.8840 -12.8840 -3.8506 -3.8506 6.3426 6.3426 9.1627 9.1627 9.8790 9.8790 10.5019 10.5019 15.5793 15.5793 16.1431 16.1431 k = 0.0758 0.0758-0.0000 ( 5769 PWs) bands (ev): -38.9344 -38.9344 -15.9595 -15.9595 -15.8911 -15.8911 -13.0302 -13.0302 -12.9296 -12.9296 -12.8829 -12.8829 -3.8769 -3.8769 6.3210 6.3210 9.2594 9.2594 9.9158 9.9158 10.5802 10.5802 15.4253 15.4253 15.9764 15.9764 k = 0.0682 0.0682-0.0000 ( 5773 PWs) bands (ev): -38.9344 -38.9344 -15.9601 -15.9601 -15.8912 -15.8912 -13.0317 -13.0317 -12.9302 -12.9302 -12.8818 -12.8818 -3.9007 -3.9007 6.3008 6.3008 9.3528 9.3528 9.9371 9.9371 10.6718 10.6718 15.2757 15.2757 15.8161 15.8161 k = 0.0606 0.0606-0.0000 ( 5777 PWs) bands (ev): -38.9345 -38.9345 -15.9608 -15.9608 -15.8913 -15.8913 -13.0331 -13.0331 -12.9307 -12.9307 -12.8809 -12.8809 -3.9221 -3.9221 6.2822 6.2822 9.4419 9.4419 9.9478 9.9478 10.7705 10.7705 15.1330 15.1330 15.6649 15.6649 k = 0.0530 0.0530-0.0000 ( 5777 PWs) bands (ev): -38.9345 -38.9345 -15.9613 -15.9613 -15.8914 -15.8914 -13.0343 -13.0343 -12.9312 -12.9312 -12.8801 -12.8801 -3.9409 -3.9409 6.2655 6.2655 9.5255 9.5255 9.9516 9.9516 10.8707 10.8707 14.9991 14.9991 15.5251 15.5251 k = 0.0455 0.0455-0.0000 ( 5769 PWs) bands (ev): -38.9345 -38.9345 -15.9618 -15.9618 -15.8915 -15.8915 -13.0353 -13.0353 -12.9316 -12.9316 -12.8793 -12.8793 -3.9573 -3.9573 6.2508 6.2508 9.6024 9.6024 9.9511 9.9511 10.9679 10.9679 14.8762 14.8762 15.3987 15.3987 k = 0.0379 0.0379-0.0000 ( 5779 PWs) bands (ev): -38.9345 -38.9345 -15.9622 -15.9622 -15.8916 -15.8916 -13.0362 -13.0362 -12.9320 -12.9320 -12.8787 -12.8787 -3.9711 -3.9711 6.2381 6.2381 9.6717 9.6717 9.9477 9.9477 11.0583 11.0583 14.7663 14.7663 15.2877 15.2877 k = 0.0303 0.0303-0.0000 ( 5775 PWs) bands (ev): -38.9346 -38.9346 -15.9625 -15.9625 -15.8916 -15.8916 -13.0370 -13.0370 -12.9323 -12.9323 -12.8782 -12.8782 -3.9825 -3.9825 6.2276 6.2276 9.7324 9.7324 9.9420 9.9420 11.1384 11.1384 14.6716 14.6716 15.1939 15.1939 k = 0.0227 0.0227-0.0000 ( 5779 PWs) bands (ev): -38.9346 -38.9346 -15.9628 -15.9628 -15.8917 -15.8917 -13.0375 -13.0375 -12.9325 -12.9325 -12.8779 -12.8779 -3.9913 -3.9913 6.2194 6.2194 9.7839 9.7839 9.9342 9.9342 11.2049 11.2049 14.5945 14.5945 15.1191 15.1191 k = 0.0152 0.0152-0.0000 ( 5779 PWs) bands (ev): -38.9346 -38.9346 -15.9630 -15.9630 -15.8917 -15.8917 -13.0380 -13.0380 -12.9327 -12.9327 -12.8776 -12.8776 -3.9976 -3.9976 6.2135 6.2135 9.8259 9.8259 9.9241 9.9241 11.2549 11.2549 14.5373 14.5373 15.0645 15.0645 k = 0.0076 0.0076-0.0000 ( 5781 PWs) bands (ev): -38.9346 -38.9346 -15.9631 -15.9631 -15.8918 -15.8918 -13.0382 -13.0382 -12.9328 -12.9328 -12.8774 -12.8774 -4.0014 -4.0014 6.2100 6.2100 9.8579 9.8579 9.9114 9.9114 11.2860 11.2860 14.5021 14.5021 15.0314 15.0314 k = 0.0000 0.0000 0.0000 ( 5797 PWs) bands (ev): -38.9346 -38.9346 -15.9631 -15.9631 -15.8918 -15.8918 -13.0383 -13.0383 -12.9328 -12.9328 -12.8774 -12.8774 -4.0026 -4.0026 6.2088 6.2088 9.8739 9.8739 9.9019 9.9019 11.2965 11.2965 14.4902 14.4902 15.0202 15.0202 k = 0.0000 0.0000 0.0000 ( 5797 PWs) bands (ev): -38.9346 -38.9346 -15.9631 -15.9631 -15.8918 -15.8918 -13.0383 -13.0383 -12.9328 -12.9328 -12.8774 -12.8774 -4.0026 -4.0026 6.2088 6.2088 9.8739 9.8739 9.9019 9.9019 11.2965 11.2965 14.4902 14.4902 15.0202 15.0202 k = 0.0000 0.0000 0.0107 ( 5778 PWs) bands (ev): -38.9346 -38.9346 -15.9631 -15.9631 -15.8918 -15.8918 -13.0383 -13.0383 -12.9328 -12.9328 -12.8774 -12.8774 -4.0020 -4.0020 6.1996 6.1996 9.8378 9.8378 9.9510 9.9510 11.2979 11.2979 14.4908 14.4908 15.0214 15.0214 k = 0.0000 0.0000 0.0214 ( 5778 PWs) bands (ev): -38.9346 -38.9346 -15.9631 -15.9631 -15.8917 -15.8917 -13.0383 -13.0383 -12.9327 -12.9327 -12.8774 -12.8774 -4.0003 -4.0003 6.1726 6.1726 9.8019 9.8019 10.0255 10.0255 11.3019 11.3019 14.4926 14.4926 15.0251 15.0251 k = 0.0000 0.0000 0.0321 ( 5782 PWs) bands (ev): -38.9346 -38.9346 -15.9631 -15.9631 -15.8917 -15.8917 -13.0383 -13.0383 -12.9326 -12.9326 -12.8774 -12.8774 -3.9974 -3.9974 6.1286 6.1286 9.7755 9.7755 10.1149 10.1149 11.3085 11.3085 14.4956 14.4956 15.0312 15.0312 k = 0.0000 0.0000 0.0428 ( 5782 PWs) bands (ev): -38.9346 -38.9346 -15.9631 -15.9631 -15.8916 -15.8916 -13.0383 -13.0383 -12.9325 -12.9325 -12.8774 -12.8774 -3.9934 -3.9934 6.0694 6.0694 9.7574 9.7574 10.2187 10.2187 11.3177 11.3177 14.4999 14.4999 15.0397 15.0397 k = 0.0000 0.0000 0.0535 ( 5758 PWs) bands (ev): -38.9346 -38.9346 -15.9631 -15.9631 -15.8916 -15.8916 -13.0383 -13.0383 -12.9323 -12.9323 -12.8775 -12.8775 -3.9882 -3.9882 5.9967 5.9967 9.7465 9.7465 10.3364 10.3364 11.3296 11.3296 14.5057 14.5057 15.0507 15.0507 k = 0.0000 0.0000 0.0642 ( 5762 PWs) bands (ev): -38.9346 -38.9346 -15.9631 -15.9631 -15.8915 -15.8915 -13.0383 -13.0383 -12.9321 -12.9321 -12.8776 -12.8776 -3.9819 -3.9819 5.9126 5.9126 9.7414 9.7414 10.4668 10.4668 11.3440 11.3440 14.5131 14.5131 15.0641 15.0641 k = 0.0000 0.0000 0.0749 ( 5762 PWs) bands (ev): -38.9346 -38.9346 -15.9631 -15.9631 -15.8914 -15.8914 -13.0383 -13.0383 -12.9319 -12.9319 -12.8776 -12.8776 -3.9746 -3.9746 5.8191 5.8191 9.7411 9.7411 10.6087 10.6087 11.3610 11.3610 14.5222 14.5222 15.0800 15.0800 k = 0.0000 0.0000 0.0856 ( 5770 PWs) bands (ev): -38.9346 -38.9346 -15.9632 -15.9632 -15.8913 -15.8913 -13.0383 -13.0383 -12.9316 -12.9316 -12.8777 -12.8777 -3.9663 -3.9663 5.7181 5.7181 9.7450 9.7450 10.7607 10.7607 11.3805 11.3805 14.5335 14.5335 15.0983 15.0983 k = 0.0000 0.0000 0.0962 ( 5762 PWs) bands (ev): -38.9346 -38.9346 -15.9632 -15.9632 -15.8912 -15.8912 -13.0383 -13.0383 -12.9313 -12.9313 -12.8778 -12.8778 -3.9570 -3.9570 5.6113 5.6113 9.7524 9.7524 10.9213 10.9213 11.4024 11.4024 14.5471 14.5471 15.1190 15.1190 k = 0.0000 0.0000 0.1069 ( 5766 PWs) bands (ev): -38.9346 -38.9346 -15.9632 -15.9632 -15.8911 -15.8911 -13.0383 -13.0383 -12.9310 -12.9310 -12.8779 -12.8779 -3.9467 -3.9467 5.5003 5.5003 9.7628 9.7628 11.0892 11.0892 11.4267 11.4267 14.5635 14.5635 15.1422 15.1422 k = 0.0000 0.0000 0.1176 ( 5766 PWs) bands (ev): -38.9346 -38.9346 -15.9632 -15.9632 -15.8909 -15.8909 -13.0383 -13.0383 -12.9306 -12.9306 -12.8781 -12.8781 -3.9356 -3.9356 5.3865 5.3865 9.7757 9.7757 11.2627 11.2627 11.4534 11.4534 14.5833 14.5833 15.1678 15.1678 k = 0.0000 0.0000 0.1283 ( 5758 PWs) bands (ev): -38.9346 -38.9346 -15.9632 -15.9632 -15.8908 -15.8908 -13.0383 -13.0383 -12.9302 -12.9302 -12.8782 -12.8782 -3.9237 -3.9237 5.2709 5.2709 9.7909 9.7909 11.4404 11.4404 11.4823 11.4823 14.6070 14.6070 15.1959 15.1959 k = 0.0000 0.0000 0.1390 ( 5738 PWs) bands (ev): -38.9345 -38.9345 -15.9632 -15.9632 -15.8906 -15.8906 -13.0383 -13.0383 -12.9298 -12.9298 -12.8783 -12.8783 -3.9110 -3.9110 5.1546 5.1546 9.8080 9.8080 11.5133 11.5133 11.6207 11.6207 14.6354 14.6354 15.2264 15.2264 k = 0.0000 0.0000 0.1497 ( 5738 PWs) bands (ev): -38.9345 -38.9345 -15.9632 -15.9632 -15.8905 -15.8905 -13.0383 -13.0383 -12.9294 -12.9294 -12.8785 -12.8785 -3.8976 -3.8976 5.0385 5.0385 9.8268 9.8268 11.5464 11.5464 11.8020 11.8020 14.6695 14.6695 15.2593 15.2593 k = 0.0000 0.0000 0.1604 ( 5738 PWs) bands (ev): -38.9345 -38.9345 -15.9632 -15.9632 -15.8903 -15.8903 -13.0383 -13.0383 -12.9290 -12.9290 -12.8786 -12.8786 -3.8837 -3.8837 4.9233 4.9233 9.8472 9.8472 11.5815 11.5815 11.9826 11.9826 14.7104 14.7104 15.2947 15.2947 k = 0.0000 0.0000 0.1711 ( 5738 PWs) bands (ev): -38.9345 -38.9345 -15.9632 -15.9632 -15.8902 -15.8902 -13.0383 -13.0383 -12.9286 -12.9286 -12.8787 -12.8787 -3.8692 -3.8692 4.8098 4.8098 9.8688 9.8688 11.6184 11.6184 12.1606 12.1606 14.7595 14.7595 15.3325 15.3325 k = 0.0000 0.0000 0.1818 ( 5730 PWs) bands (ev): -38.9345 -38.9345 -15.9632 -15.9632 -15.8900 -15.8900 -13.0383 -13.0383 -12.9281 -12.9281 -12.8789 -12.8789 -3.8544 -3.8544 4.6983 4.6983 9.8915 9.8915 11.6569 11.6569 12.3338 12.3338 14.8183 14.8183 15.3727 15.3727 k = 0.0000 0.0000 0.1925 ( 5730 PWs) bands (ev): -38.9345 -38.9345 -15.9632 -15.9632 -15.8898 -15.8898 -13.0383 -13.0383 -12.9276 -12.9276 -12.8790 -12.8790 -3.8392 -3.8392 4.5896 4.5896 9.9151 9.9151 11.6970 11.6970 12.5003 12.5003 14.8886 14.8886 15.4154 15.4154 k = 0.0000 0.0000 0.2032 ( 5746 PWs) bands (ev): -38.9345 -38.9345 -15.9633 -15.9633 -15.8897 -15.8897 -13.0383 -13.0383 -12.9272 -12.9272 -12.8792 -12.8792 -3.8238 -3.8238 4.4840 4.4840 9.9393 9.9393 11.7383 11.7383 12.6577 12.6577 14.9722 14.9722 15.4604 15.4604 k = 0.0000 0.0000 0.2139 ( 5750 PWs) bands (ev): -38.9345 -38.9345 -15.9633 -15.9633 -15.8895 -15.8895 -13.0383 -13.0383 -12.9267 -12.9267 -12.8794 -12.8794 -3.8083 -3.8083 4.3819 4.3819 9.9641 9.9641 11.7808 11.7808 12.8039 12.8039 15.0706 15.0706 15.5079 15.5079 k = 0.0000 0.0000 0.2246 ( 5754 PWs) bands (ev): -38.9345 -38.9345 -15.9633 -15.9633 -15.8893 -15.8893 -13.0383 -13.0383 -12.9263 -12.9263 -12.8795 -12.8795 -3.7929 -3.7929 4.2838 4.2838 9.9891 9.9891 11.8242 11.8242 12.9374 12.9374 15.1852 15.1852 15.5577 15.5577 k = 0.0000 0.0000 0.2353 ( 5754 PWs) bands (ev): -38.9345 -38.9345 -15.9633 -15.9633 -15.8892 -15.8892 -13.0383 -13.0383 -12.9259 -12.9259 -12.8797 -12.8797 -3.7775 -3.7775 4.1900 4.1900 10.0142 10.0142 11.8682 11.8682 13.0568 13.0568 15.3167 15.3167 15.6098 15.6098 k = 0.0000 0.0000 0.2460 ( 5770 PWs) bands (ev): -38.9345 -38.9345 -15.9633 -15.9633 -15.8890 -15.8890 -13.0383 -13.0383 -12.9254 -12.9254 -12.8798 -12.8798 -3.7624 -3.7624 4.1007 4.1007 10.0391 10.0391 11.9125 11.9125 13.1617 13.1617 15.4646 15.4646 15.6642 15.6642 k = 0.0000 0.0000 0.2567 ( 5778 PWs) bands (ev): -38.9345 -38.9345 -15.9633 -15.9633 -15.8889 -15.8889 -13.0383 -13.0383 -12.9250 -12.9250 -12.8799 -12.8799 -3.7476 -3.7476 4.0163 4.0163 10.0637 10.0637 11.9568 11.9568 13.2523 13.2523 15.6274 15.6274 15.7208 15.7208 k = 0.0000 0.0000 0.2673 ( 5774 PWs) bands (ev): -38.9345 -38.9345 -15.9633 -15.9633 -15.8887 -15.8887 -13.0383 -13.0383 -12.9246 -12.9246 -12.8801 -12.8801 -3.7333 -3.7333 3.9370 3.9370 10.0877 10.0877 12.0007 12.0007 13.3295 13.3295 15.7794 15.7794 15.8001 15.8001 k = 0.0000 0.0000 0.2780 ( 5762 PWs) bands (ev): -38.9345 -38.9345 -15.9634 -15.9634 -15.8886 -15.8886 -13.0383 -13.0383 -12.9242 -12.9242 -12.8802 -12.8802 -3.7196 -3.7196 3.8631 3.8631 10.1108 10.1108 12.0439 12.0439 13.3946 13.3946 15.8397 15.8397 15.9605 15.9605 k = 0.0000 0.0000 0.2887 ( 5762 PWs) bands (ev): -38.9345 -38.9345 -15.9634 -15.9634 -15.8885 -15.8885 -13.0383 -13.0383 -12.9239 -12.9239 -12.8803 -12.8803 -3.7066 -3.7066 3.7949 3.7949 10.1330 10.1330 12.0859 12.0859 13.4489 13.4489 15.9009 15.9009 16.0127 16.0127 k = 0.0000 0.0000 0.2994 ( 5762 PWs) bands (ev): -38.9345 -38.9345 -15.9634 -15.9634 -15.8883 -15.8883 -13.0383 -13.0383 -12.9236 -12.9236 -12.8804 -12.8804 -3.6945 -3.6945 3.7325 3.7325 10.1538 10.1538 12.1262 12.1262 13.4939 13.4939 15.9607 15.9607 15.9749 15.9749 k = 0.0000 0.0000 0.3101 ( 5762 PWs) bands (ev): -38.9345 -38.9345 -15.9634 -15.9634 -15.8882 -15.8882 -13.0383 -13.0383 -12.9232 -12.9232 -12.8805 -12.8805 -3.6833 -3.6833 3.6761 3.6761 10.1732 10.1732 12.1643 12.1643 13.5310 13.5310 15.9249 15.9249 16.0058 16.0058 k = 0.0000 0.0000 0.3208 ( 5754 PWs) bands (ev): -38.9345 -38.9345 -15.9634 -15.9634 -15.8881 -15.8881 -13.0383 -13.0383 -12.9230 -12.9230 -12.8806 -12.8806 -3.6731 -3.6731 3.6259 3.6259 10.1909 10.1909 12.1997 12.1997 13.5612 13.5612 15.8766 15.8766 15.9895 15.9895 k = 0.0000 0.0000 0.3315 ( 5754 PWs) bands (ev): -38.9345 -38.9345 -15.9634 -15.9634 -15.8880 -15.8880 -13.0383 -13.0383 -12.9227 -12.9227 -12.8807 -12.8807 -3.6641 -3.6641 3.5821 3.5821 10.2066 10.2066 12.2319 12.2319 13.5857 13.5857 15.8330 15.8330 15.9355 15.9355 k = 0.0000 0.0000 0.3422 ( 5738 PWs) bands (ev): -38.9345 -38.9345 -15.9634 -15.9634 -15.8879 -15.8879 -13.0383 -13.0383 -12.9225 -12.9225 -12.8808 -12.8808 -3.6563 -3.6563 3.5447 3.5447 10.2203 10.2203 12.2603 12.2603 13.6052 13.6052 15.7952 15.7952 15.8817 15.8817 k = 0.0000 0.0000 0.3529 ( 5738 PWs) bands (ev): -38.9345 -38.9345 -15.9634 -15.9634 -15.8879 -15.8879 -13.0383 -13.0383 -12.9224 -12.9224 -12.8808 -12.8808 -3.6498 -3.6498 3.5140 3.5140 10.2318 10.2318 12.2843 12.2843 13.6204 13.6204 15.7637 15.7637 15.8353 15.8353 k = 0.0000 0.0000 0.3636 ( 5734 PWs) bands (ev): -38.9345 -38.9345 -15.9634 -15.9634 -15.8878 -15.8878 -13.0383 -13.0383 -12.9222 -12.9222 -12.8809 -12.8809 -3.6447 -3.6447 3.4900 3.4900 10.2408 10.2408 12.3036 12.3036 13.6317 13.6317 15.7389 15.7389 15.7981 15.7981 k = 0.0000 0.0000 0.3743 ( 5726 PWs) bands (ev): -38.9345 -38.9345 -15.9634 -15.9634 -15.8878 -15.8878 -13.0383 -13.0383 -12.9221 -12.9221 -12.8809 -12.8809 -3.6410 -3.6410 3.4728 3.4728 10.2474 10.2474 12.3177 12.3177 13.6395 13.6395 15.7210 15.7210 15.7711 15.7711 k = 0.0000 0.0000 0.3850 ( 5730 PWs) bands (ev): -38.9345 -38.9345 -15.9634 -15.9634 -15.8878 -15.8878 -13.0383 -13.0383 -12.9221 -12.9221 -12.8809 -12.8809 -3.6388 -3.6388 3.4625 3.4625 10.2514 10.2514 12.3262 12.3262 13.6441 13.6441 15.7102 15.7102 15.7547 15.7547 k = 0.0000 0.0000 0.3957 ( 5730 PWs) bands (ev): -38.9345 -38.9345 -15.9634 -15.9634 -15.8878 -15.8878 -13.0383 -13.0383 -12.9220 -12.9220 -12.8809 -12.8809 -3.6380 -3.6380 3.4591 3.4591 10.2527 10.2527 12.3291 12.3291 13.6456 13.6456 15.7066 15.7066 15.7492 15.7492 k = 0.0000 0.0000 0.3957 ( 5730 PWs) bands (ev): -38.9345 -38.9345 -15.9634 -15.9634 -15.8878 -15.8878 -13.0383 -13.0383 -12.9220 -12.9220 -12.8809 -12.8809 -3.6380 -3.6380 3.4591 3.4591 10.2527 10.2527 12.3291 12.3291 13.6456 13.6456 15.7066 15.7066 15.7492 15.7492 k = 0.0000 0.0106 0.3957 ( 5726 PWs) bands (ev): -38.9345 -38.9345 -15.9634 -15.9634 -15.8878 -15.8878 -13.0382 -13.0382 -12.9220 -12.9220 -12.8810 -12.8810 -3.6368 -3.6368 3.4603 3.4603 10.2447 10.2447 12.3085 12.3085 13.6681 13.6681 15.6847 15.6847 15.7393 15.7393 k = 0.0000 0.0213 0.3957 ( 5720 PWs) bands (ev): -38.9344 -38.9344 -15.9633 -15.9633 -15.8877 -15.8877 -13.0380 -13.0380 -12.9219 -12.9219 -12.8811 -12.8811 -3.6329 -3.6329 3.4638 3.4638 10.2205 10.2205 12.2519 12.2519 13.7305 13.7305 15.6007 15.6007 15.7362 15.7362 k = 0.0000 0.0319 0.3957 ( 5728 PWs) bands (ev): -38.9344 -38.9344 -15.9631 -15.9631 -15.8877 -15.8877 -13.0376 -13.0376 -12.9217 -12.9217 -12.8814 -12.8814 -3.6266 -3.6266 3.4698 3.4698 10.1791 10.1791 12.1719 12.1719 13.8208 13.8208 15.4715 15.4715 15.7406 15.7406 k = 0.0000 0.0426 0.3957 ( 5728 PWs) bands (ev): -38.9344 -38.9344 -15.9628 -15.9628 -15.8877 -15.8877 -13.0370 -13.0370 -12.9215 -12.9215 -12.8818 -12.8818 -3.6177 -3.6177 3.4781 3.4781 10.1196 10.1196 12.0814 12.0814 13.9271 13.9271 15.3161 15.3161 15.7484 15.7484 k = 0.0000 0.0532 0.3957 ( 5740 PWs) bands (ev): -38.9344 -38.9344 -15.9625 -15.9625 -15.8876 -15.8876 -13.0363 -13.0363 -12.9212 -12.9212 -12.8823 -12.8823 -3.6063 -3.6063 3.4887 3.4887 10.0406 10.0406 11.9909 11.9909 14.0400 14.0400 15.1454 15.1454 15.7590 15.7590 k = 0.0000 0.0638 0.3957 ( 5742 PWs) bands (ev): -38.9344 -38.9344 -15.9621 -15.9621 -15.8875 -15.8875 -13.0355 -13.0355 -12.9208 -12.9208 -12.8829 -12.8829 -3.5924 -3.5924 3.5017 3.5017 9.9417 9.9417 11.9075 11.9075 14.1528 14.1528 14.9659 14.9659 15.7720 15.7720 k = 0.0000 0.0745 0.3957 ( 5738 PWs) bands (ev): -38.9344 -38.9344 -15.9616 -15.9616 -15.8874 -15.8874 -13.0345 -13.0345 -12.9204 -12.9204 -12.8836 -12.8836 -3.5759 -3.5759 3.5170 3.5170 9.8230 9.8230 11.8356 11.8356 14.2611 14.2611 14.7818 14.7818 15.7875 15.7875 k = 0.0000 0.0851 0.3957 ( 5738 PWs) bands (ev): -38.9343 -38.9343 -15.9611 -15.9611 -15.8873 -15.8873 -13.0333 -13.0333 -12.9199 -12.9199 -12.8844 -12.8844 -3.5570 -3.5570 3.5345 3.5345 9.6856 9.6856 11.7771 11.7771 14.3599 14.3599 14.5985 14.5985 15.8052 15.8052 k = 0.0000 0.0957 0.3957 ( 5736 PWs) bands (ev): -38.9343 -38.9343 -15.9606 -15.9606 -15.8872 -15.8872 -13.0321 -13.0321 -12.9194 -12.9194 -12.8852 -12.8852 -3.5356 -3.5356 3.5543 3.5543 9.5315 9.5315 11.7325 11.7325 14.3762 14.3762 14.4894 14.4894 15.8253 15.8253 k = 0.0000 0.1064 0.3957 ( 5744 PWs) bands (ev): -38.9343 -38.9343 -15.9599 -15.9599 -15.8871 -15.8871 -13.0307 -13.0307 -12.9187 -12.9187 -12.8862 -12.8862 -3.5118 -3.5118 3.5762 3.5762 9.3631 9.3631 11.7009 11.7009 14.2034 14.2034 14.5621 14.5621 15.8476 15.8476 k = 0.0000 0.1170 0.3957 ( 5744 PWs) bands (ev): -38.9342 -38.9342 -15.9593 -15.9593 -15.8869 -15.8869 -13.0293 -13.0293 -12.9181 -12.9181 -12.8871 -12.8871 -3.4855 -3.4855 3.6003 3.6003 9.1830 9.1830 11.6809 11.6809 14.0163 14.0163 14.6431 14.6431 15.8721 15.8721 k = 0.0000 0.1277 0.3957 ( 5740 PWs) bands (ev): -38.9342 -38.9342 -15.9586 -15.9586 -15.8867 -15.8867 -13.0277 -13.0277 -12.9174 -12.9174 -12.8882 -12.8882 -3.4569 -3.4569 3.6264 3.6264 8.9937 8.9937 11.6712 11.6712 13.8286 13.8286 14.7198 14.7198 15.8989 15.8989 k = 0.0000 0.1383 0.3957 ( 5744 PWs) bands (ev): -38.9341 -38.9341 -15.9578 -15.9578 -15.8866 -15.8866 -13.0261 -13.0261 -12.9166 -12.9166 -12.8892 -12.8892 -3.4258 -3.4258 3.6546 3.6546 8.7974 8.7974 11.6700 11.6700 13.6420 13.6420 14.7922 14.7922 15.9279 15.9279 k = 0.0000 0.1489 0.3957 ( 5740 PWs) bands (ev): -38.9341 -38.9341 -15.9571 -15.9571 -15.8864 -15.8864 -13.0244 -13.0244 -12.9158 -12.9158 -12.8902 -12.8902 -3.3925 -3.3925 3.6847 3.6847 8.5960 8.5960 11.6761 11.6761 13.4572 13.4572 14.8608 14.8608 15.9591 15.9591 k = 0.0000 0.1596 0.3957 ( 5744 PWs) bands (ev): -38.9340 -38.9340 -15.9563 -15.9563 -15.8861 -15.8861 -13.0227 -13.0227 -12.9150 -12.9150 -12.8913 -12.8913 -3.3569 -3.3569 3.7166 3.7166 8.3912 8.3912 11.6882 11.6882 13.2747 13.2747 14.9265 14.9265 15.9924 15.9924 k = 0.0000 0.1702 0.3957 ( 5744 PWs) bands (ev): -38.9340 -38.9340 -15.9555 -15.9555 -15.8859 -15.8859 -13.0209 -13.0209 -12.9142 -12.9142 -12.8922 -12.8922 -3.3191 -3.3191 3.7502 3.7502 8.1844 8.1844 11.7052 11.7052 13.0950 13.0950 14.9898 14.9898 16.0279 16.0279 k = 0.0000 0.1809 0.3957 ( 5748 PWs) bands (ev): -38.9339 -38.9339 -15.9547 -15.9547 -15.8856 -15.8856 -13.0191 -13.0191 -12.9135 -12.9135 -12.8931 -12.8931 -3.2791 -3.2791 3.7855 3.7855 7.9766 7.9766 11.7259 11.7259 12.9188 12.9188 15.0515 15.0515 16.0654 16.0654 k = 0.0000 0.1915 0.3957 ( 5752 PWs) bands (ev): -38.9339 -38.9339 -15.9538 -15.9538 -15.8853 -15.8853 -13.0173 -13.0173 -12.9129 -12.9129 -12.8937 -12.8937 -3.2370 -3.2370 3.8222 3.8222 7.7689 7.7689 11.7490 11.7490 12.7468 12.7468 15.1121 15.1121 16.1050 16.1050 k = 0.0000 0.2021 0.3957 ( 5758 PWs) bands (ev): -38.9338 -38.9338 -15.9530 -15.9530 -15.8851 -15.8851 -13.0156 -13.0156 -12.9124 -12.9124 -12.8942 -12.8942 -3.1928 -3.1928 3.8603 3.8603 7.5621 7.5621 11.7724 11.7724 12.5807 12.5807 15.1721 15.1721 16.1465 16.1465 k = 0.0000 0.2128 0.3957 ( 5756 PWs) bands (ev): -38.9337 -38.9337 -15.9522 -15.9522 -15.8847 -15.8847 -13.0138 -13.0138 -12.9121 -12.9121 -12.8944 -12.8944 -3.1468 -3.1468 3.8995 3.8995 7.3570 7.3570 11.7929 11.7929 12.4237 12.4237 15.2320 15.2320 16.1900 16.1900 k = 0.0000 0.2234 0.3957 ( 5758 PWs) bands (ev): -38.9337 -38.9337 -15.9514 -15.9514 -15.8844 -15.8844 -13.0121 -13.0121 -12.9121 -12.9121 -12.8942 -12.8942 -3.0988 -3.0988 3.9396 3.9396 7.1543 7.1543 11.8030 11.8030 12.2827 12.2827 15.2919 15.2919 16.2354 16.2354 k = 0.0000 0.2340 0.3957 ( 5764 PWs) bands (ev): -38.9336 -38.9336 -15.9506 -15.9506 -15.8841 -15.8841 -13.0105 -13.0105 -12.9124 -12.9124 -12.8936 -12.8936 -3.0492 -3.0492 3.9804 3.9804 6.9547 6.9547 11.7864 11.7864 12.1739 12.1739 15.3523 15.3523 16.2826 16.2826 k = 0.0000 0.2447 0.3957 ( 5776 PWs) bands (ev): -38.9336 -38.9336 -15.9498 -15.9498 -15.8837 -15.8837 -13.0089 -13.0089 -12.9129 -12.9129 -12.8927 -12.8927 -2.9979 -2.9979 4.0215 4.0215 6.7589 6.7589 11.7221 11.7221 12.1182 12.1182 15.4132 15.4132 16.3316 16.3316 k = 0.0000 0.2553 0.3957 ( 5772 PWs) bands (ev): -38.9335 -38.9335 -15.9490 -15.9490 -15.8833 -15.8833 -13.0074 -13.0074 -12.9136 -12.9136 -12.8916 -12.8916 -2.9451 -2.9451 4.0625 4.0625 6.5675 6.5675 11.6133 11.6133 12.1120 12.1120 15.4750 15.4750 16.3821 16.3821 k = 0.0000 0.2660 0.3957 ( 5756 PWs) bands (ev): -38.9334 -38.9334 -15.9483 -15.9483 -15.8830 -15.8830 -13.0060 -13.0060 -12.9144 -12.9144 -12.8902 -12.8902 -2.8909 -2.8909 4.1030 4.1030 6.3814 6.3814 11.4826 11.4826 12.1329 12.1329 15.5377 15.5377 16.4343 16.4343 k = 0.0000 0.2766 0.3957 ( 5758 PWs) bands (ev): -38.9334 -38.9334 -15.9476 -15.9476 -15.8826 -15.8826 -13.0047 -13.0047 -12.9153 -12.9153 -12.8885 -12.8885 -2.8356 -2.8356 4.1422 4.1422 6.2014 6.2014 11.3441 11.3441 12.1664 12.1664 15.6015 15.6015 16.4878 16.4878 k = 0.0000 0.2872 0.3957 ( 5766 PWs) bands (ev): -38.9333 -38.9333 -15.9469 -15.9469 -15.8822 -15.8822 -13.0035 -13.0035 -12.9163 -12.9163 -12.8868 -12.8868 -2.7793 -2.7793 4.1794 4.1794 6.0285 6.0285 11.2040 11.2040 12.2063 12.2063 15.6663 15.6663 16.5427 16.5427 k = 0.0000 0.2979 0.3957 ( 5770 PWs) bands (ev): -38.9332 -38.9332 -15.9463 -15.9463 -15.8818 -15.8818 -13.0024 -13.0024 -12.9173 -12.9173 -12.8849 -12.8849 -2.7222 -2.7222 4.2134 4.2134 5.8642 5.8642 11.0651 11.0651 12.2497 12.2497 15.7322 15.7322 16.5987 16.5987 k = 0.0000 0.3085 0.3957 ( 5774 PWs) bands (ev): -38.9332 -38.9332 -15.9457 -15.9457 -15.8814 -15.8814 -13.0014 -13.0014 -12.9183 -12.9183 -12.8830 -12.8830 -2.6645 -2.6645 4.2427 4.2427 5.7100 5.7100 10.9289 10.9289 12.2951 12.2951 15.7992 15.7992 16.6557 16.6557 k = 0.0000 0.3191 0.3957 ( 5772 PWs) bands (ev): -38.9331 -38.9331 -15.9451 -15.9451 -15.8810 -15.8810 -13.0006 -13.0006 -12.9192 -12.9192 -12.8810 -12.8810 -2.6066 -2.6066 4.2652 4.2652 5.5682 5.5682 10.7961 10.7961 12.3415 12.3415 15.8673 15.8673 16.7135 16.7135 k = 0.0000 0.3298 0.3957 ( 5780 PWs) bands (ev): -38.9331 -38.9331 -15.9446 -15.9446 -15.8806 -15.8806 -12.9998 -12.9998 -12.9201 -12.9201 -12.8790 -12.8790 -2.5486 -2.5486 4.2785 4.2785 5.4415 5.4415 10.6675 10.6675 12.3883 12.3883 15.9364 15.9364 16.7718 16.7718 k = 0.0000 0.3404 0.3957 ( 5768 PWs) bands (ev): -38.9330 -38.9330 -15.9441 -15.9441 -15.8802 -15.8802 -12.9991 -12.9991 -12.9210 -12.9210 -12.8770 -12.8770 -2.4909 -2.4909 4.2795 4.2795 5.3332 5.3332 10.5435 10.5435 12.4349 12.4349 16.0063 16.0063 16.8305 16.8305 k = 0.0000 0.3511 0.3957 ( 5760 PWs) bands (ev): -38.9330 -38.9330 -15.9436 -15.9436 -15.8798 -15.8798 -12.9986 -12.9986 -12.9218 -12.9218 -12.8750 -12.8750 -2.4338 -2.4338 4.2651 4.2651 5.2462 5.2462 10.4245 10.4245 12.4809 12.4809 16.0769 16.0769 16.8891 16.8891 k = 0.0000 0.3617 0.3957 ( 5758 PWs) bands (ev): -38.9329 -38.9329 -15.9432 -15.9432 -15.8794 -15.8794 -12.9981 -12.9981 -12.9226 -12.9226 -12.8730 -12.8730 -2.3777 -2.3777 4.2337 4.2337 5.1825 5.1825 10.3111 10.3111 12.5259 12.5259 16.1478 16.1478 16.9474 16.9474 k = 0.0000 0.3723 0.3957 ( 5770 PWs) bands (ev): -38.9329 -38.9329 -15.9428 -15.9428 -15.8791 -15.8791 -12.9977 -12.9977 -12.9233 -12.9233 -12.8711 -12.8711 -2.3230 -2.3230 4.1859 4.1859 5.1415 5.1415 10.2035 10.2035 12.5694 12.5694 16.2188 16.2188 17.0050 17.0050 k = 0.0000 0.3830 0.3957 ( 5762 PWs) bands (ev): -38.9328 -38.9328 -15.9424 -15.9424 -15.8788 -15.8788 -12.9974 -12.9974 -12.9239 -12.9239 -12.8693 -12.8693 -2.2702 -2.2702 4.1249 4.1249 5.1203 5.1203 10.1023 10.1023 12.6111 12.6111 16.2895 16.2895 17.0614 17.0614 k = 0.0000 0.3936 0.3957 ( 5762 PWs) bands (ev): -38.9328 -38.9328 -15.9421 -15.9421 -15.8784 -15.8784 -12.9971 -12.9971 -12.9245 -12.9245 -12.8676 -12.8676 -2.2196 -2.2196 4.0553 4.0553 5.1143 5.1143 10.0077 10.0077 12.6506 12.6506 16.3591 16.3591 17.1162 17.1162 k = 0.0000 0.4043 0.3957 ( 5752 PWs) bands (ev): -38.9327 -38.9327 -15.9418 -15.9418 -15.8781 -15.8781 -12.9969 -12.9969 -12.9250 -12.9250 -12.8660 -12.8660 -2.1718 -2.1718 3.9818 3.9818 5.1189 5.1189 9.9204 9.9204 12.6875 12.6875 16.4272 16.4272 17.1689 17.1689 k = 0.0000 0.4149 0.3957 ( 5744 PWs) bands (ev): -38.9327 -38.9327 -15.9416 -15.9416 -15.8779 -15.8779 -12.9968 -12.9968 -12.9254 -12.9254 -12.8645 -12.8645 -2.1272 -2.1272 3.9085 3.9085 5.1302 5.1302 9.8406 9.8406 12.7216 12.7216 16.4927 16.4927 17.2187 17.2187 k = 0.0000 0.4255 0.3957 ( 5748 PWs) bands (ev): -38.9327 -38.9327 -15.9413 -15.9413 -15.8776 -15.8776 -12.9967 -12.9967 -12.9258 -12.9258 -12.8632 -12.8632 -2.0863 -2.0863 3.8384 3.8384 5.1453 5.1453 9.7689 9.7689 12.7526 12.7526 16.5547 16.5547 17.2651 17.2651 k = 0.0000 0.4362 0.3957 ( 5736 PWs) bands (ev): -38.9326 -38.9326 -15.9411 -15.9411 -15.8774 -15.8774 -12.9966 -12.9966 -12.9261 -12.9261 -12.8620 -12.8620 -2.0497 -2.0497 3.7739 3.7739 5.1618 5.1618 9.7057 9.7057 12.7800 12.7800 16.6119 16.6119 17.3074 17.3074 k = 0.0000 0.4468 0.3957 ( 5736 PWs) bands (ev): -38.9326 -38.9326 -15.9410 -15.9410 -15.8772 -15.8772 -12.9966 -12.9966 -12.9264 -12.9264 -12.8610 -12.8610 -2.0177 -2.0177 3.7169 3.7169 5.1782 5.1782 9.6514 9.6514 12.8038 12.8038 16.6631 16.6631 17.3448 17.3448 k = 0.0000 0.4574 0.3957 ( 5748 PWs) bands (ev): -38.9326 -38.9326 -15.9409 -15.9409 -15.8771 -15.8771 -12.9965 -12.9965 -12.9266 -12.9266 -12.8602 -12.8602 -1.9909 -1.9909 3.6686 3.6686 5.1930 5.1930 9.6063 9.6063 12.8235 12.8235 16.7070 16.7070 17.3768 17.3768 k = 0.0000 0.4681 0.3957 ( 5744 PWs) bands (ev): -38.9326 -38.9326 -15.9408 -15.9408 -15.8770 -15.8770 -12.9965 -12.9965 -12.9268 -12.9268 -12.8595 -12.8595 -1.9696 -1.9696 3.6301 3.6301 5.2055 5.2055 9.5709 9.5709 12.8391 12.8391 16.7424 16.7424 17.4025 17.4025 k = 0.0000 0.4787 0.3957 ( 5744 PWs) bands (ev): -38.9326 -38.9326 -15.9407 -15.9407 -15.8769 -15.8769 -12.9965 -12.9965 -12.9269 -12.9269 -12.8590 -12.8590 -1.9541 -1.9541 3.6021 3.6021 5.2148 5.2148 9.5454 9.5454 12.8503 12.8503 16.7684 16.7684 17.4214 17.4214 k = 0.0000 0.4894 0.3957 ( 5752 PWs) bands (ev): -38.9326 -38.9326 -15.9406 -15.9406 -15.8768 -15.8768 -12.9965 -12.9965 -12.9269 -12.9269 -12.8587 -12.8587 -1.9447 -1.9447 3.5850 3.5850 5.2206 5.2206 9.5300 9.5300 12.8571 12.8571 16.7842 16.7842 17.4329 17.4329 k = 0.0000 0.5000 0.3957 ( 5748 PWs) bands (ev): -38.9326 -38.9326 -15.9406 -15.9406 -15.8768 -15.8768 -12.9965 -12.9965 -12.9270 -12.9270 -12.8586 -12.8586 -1.9416 -1.9416 3.5793 3.5793 5.2226 5.2226 9.5248 9.5248 12.8594 12.8594 16.7895 16.7895 17.4367 17.4367 k = 0.0000 0.5000 0.3957 ( 5748 PWs) bands (ev): -38.9326 -38.9326 -15.9406 -15.9406 -15.8768 -15.8768 -12.9965 -12.9965 -12.9270 -12.9270 -12.8586 -12.8586 -1.9416 -1.9416 3.5793 3.5793 5.2226 5.2226 9.5248 9.5248 12.8594 12.8594 16.7895 16.7895 17.4367 17.4643 k = 0.0106 0.5000 0.3957 ( 5756 PWs) bands (ev): -38.9326 -38.9326 -15.9406 -15.9406 -15.8768 -15.8768 -12.9964 -12.9964 -12.9270 -12.9270 -12.8586 -12.8586 -1.9404 -1.9404 3.5807 3.5807 5.2242 5.2242 9.5254 9.5254 12.8438 12.8438 16.7704 16.7704 17.4296 17.4296 k = 0.0213 0.5000 0.3957 ( 5752 PWs) bands (ev): -38.9325 -38.9325 -15.9405 -15.9405 -15.8768 -15.8768 -12.9961 -12.9961 -12.9271 -12.9271 -12.8587 -12.8587 -1.9367 -1.9367 3.5849 3.5849 5.2289 5.2289 9.5271 9.5271 12.7976 12.7976 16.7149 16.7149 17.3874 17.3874 k = 0.0319 0.5000 0.3957 ( 5756 PWs) bands (ev): -38.9325 -38.9325 -15.9402 -15.9402 -15.8769 -15.8769 -12.9956 -12.9956 -12.9272 -12.9272 -12.8588 -12.8588 -1.9306 -1.9306 3.5918 3.5918 5.2369 5.2369 9.5299 9.5299 12.7225 12.7225 16.6274 16.6274 17.2971 17.2971 k = 0.0426 0.5000 0.3957 ( 5756 PWs) bands (ev): -38.9325 -38.9325 -15.9399 -15.9399 -15.8769 -15.8769 -12.9949 -12.9949 -12.9274 -12.9274 -12.8590 -12.8590 -1.9220 -1.9220 3.6014 3.6014 5.2480 5.2480 9.5338 9.5338 12.6210 12.6210 16.5131 16.5131 17.1794 17.1794 k = 0.0532 0.5000 0.3957 ( 5752 PWs) bands (ev): -38.9325 -38.9325 -15.9396 -15.9396 -15.8770 -15.8770 -12.9940 -12.9940 -12.9276 -12.9276 -12.8592 -12.8592 -1.9110 -1.9110 3.6138 3.6138 5.2623 5.2623 9.5388 9.5388 12.4961 12.4961 16.3775 16.3775 17.0395 17.0395 k = 0.0638 0.5000 0.3957 ( 5756 PWs) bands (ev): -38.9325 -38.9325 -15.9391 -15.9391 -15.8770 -15.8770 -12.9929 -12.9929 -12.9278 -12.9278 -12.8594 -12.8594 -1.8976 -1.8976 3.6288 3.6288 5.2798 5.2798 9.5449 9.5449 12.3510 12.3510 16.2252 16.2252 16.8824 16.8824 k = 0.0745 0.5000 0.3957 ( 5760 PWs) bands (ev): -38.9325 -38.9325 -15.9386 -15.9386 -15.8771 -15.8771 -12.9917 -12.9917 -12.9281 -12.9281 -12.8597 -12.8597 -1.8818 -1.8818 3.6466 3.6466 5.3004 5.3004 9.5521 9.5521 12.1889 12.1889 16.0599 16.0599 16.7118 16.7118 k = 0.0851 0.5000 0.3957 ( 5744 PWs) bands (ev): -38.9324 -38.9324 -15.9379 -15.9379 -15.8772 -15.8772 -12.9903 -12.9903 -12.9284 -12.9284 -12.8600 -12.8600 -1.8635 -1.8635 3.6670 3.6670 5.3242 5.3242 9.5604 9.5604 12.0128 12.0128 15.8846 15.8846 16.5309 16.5309 k = 0.0957 0.5000 0.3957 ( 5744 PWs) bands (ev): -38.9324 -38.9324 -15.9373 -15.9373 -15.8773 -15.8773 -12.9887 -12.9887 -12.9287 -12.9287 -12.8603 -12.8603 -1.8429 -1.8429 3.6899 3.6899 5.3510 5.3510 9.5698 9.5698 11.8253 11.8253 15.7018 15.7018 16.3421 16.3421 k = 0.1064 0.5000 0.3957 ( 5744 PWs) bands (ev): -38.9324 -38.9324 -15.9365 -15.9365 -15.8774 -15.8774 -12.9871 -12.9871 -12.9290 -12.9290 -12.8606 -12.8606 -1.8200 -1.8200 3.7155 3.7155 5.3809 5.3809 9.5802 9.5802 11.6287 11.6287 15.5134 15.5134 16.1475 16.1475 k = 0.1170 0.5000 0.3957 ( 5752 PWs) bands (ev): -38.9323 -38.9323 -15.9357 -15.9357 -15.8776 -15.8776 -12.9853 -12.9853 -12.9293 -12.9293 -12.8610 -12.8610 -1.7947 -1.7947 3.7435 3.7435 5.4139 5.4139 9.5916 9.5916 11.4251 11.4251 15.3210 15.3210 15.9486 15.9486 k = 0.1277 0.5000 0.3957 ( 5752 PWs) bands (ev): -38.9323 -38.9323 -15.9349 -15.9349 -15.8777 -15.8777 -12.9835 -12.9835 -12.9296 -12.9296 -12.8613 -12.8613 -1.7671 -1.7671 3.7739 3.7739 5.4499 5.4499 9.6041 9.6041 11.2163 11.2163 15.1258 15.1258 15.7465 15.7465 k = 0.1383 0.5000 0.3957 ( 5756 PWs) bands (ev): -38.9322 -38.9322 -15.9340 -15.9340 -15.8778 -15.8778 -12.9817 -12.9817 -12.9297 -12.9297 -12.8617 -12.8617 -1.7372 -1.7372 3.8067 3.8067 5.4889 5.4889 9.6176 9.6176 11.0037 11.0037 14.9288 14.9288 15.5424 15.5424 k = 0.1489 0.5000 0.3957 ( 5756 PWs) bands (ev): -38.9322 -38.9322 -15.9330 -15.9330 -15.8780 -15.8780 -12.9799 -12.9799 -12.9298 -12.9298 -12.8621 -12.8621 -1.7050 -1.7050 3.8418 3.8418 5.5308 5.5308 9.6320 9.6320 10.7886 10.7886 14.7309 14.7309 15.3371 15.3371 k = 0.1596 0.5000 0.3957 ( 5756 PWs) bands (ev): -38.9321 -38.9321 -15.9320 -15.9320 -15.8781 -15.8781 -12.9782 -12.9782 -12.9297 -12.9297 -12.8624 -12.8624 -1.6707 -1.6707 3.8791 3.8791 5.5756 5.5756 9.6474 9.6474 10.5722 10.5722 14.5327 14.5327 15.1310 15.1310 k = 0.1702 0.5000 0.3957 ( 5748 PWs) bands (ev): -38.9321 -38.9321 -15.9310 -15.9310 -15.8783 -15.8783 -12.9766 -12.9766 -12.9294 -12.9294 -12.8628 -12.8628 -1.6343 -1.6343 3.9185 3.9185 5.6233 5.6233 9.6638 9.6638 10.3553 10.3553 14.3348 14.3348 14.9249 14.9249 k = 0.1809 0.5000 0.3957 ( 5748 PWs) bands (ev): -38.9320 -38.9320 -15.9300 -15.9300 -15.8784 -15.8784 -12.9752 -12.9752 -12.9289 -12.9289 -12.8631 -12.8631 -1.5957 -1.5957 3.9598 3.9598 5.6738 5.6738 9.6810 9.6810 10.1390 10.1390 14.1378 14.1378 14.7192 14.7192 k = 0.1915 0.5000 0.3957 ( 5748 PWs) bands (ev): -38.9320 -38.9320 -15.9289 -15.9289 -15.8786 -15.8786 -12.9740 -12.9740 -12.9280 -12.9280 -12.8634 -12.8634 -1.5551 -1.5551 4.0030 4.0030 5.7269 5.7269 9.6990 9.6990 9.9238 9.9238 13.9419 13.9419 14.5142 14.5142 k = 0.2021 0.5000 0.3957 ( 5744 PWs) bands (ev): -38.9319 -38.9319 -15.9279 -15.9279 -15.8787 -15.8787 -12.9731 -12.9731 -12.9269 -12.9269 -12.8637 -12.8637 -1.5126 -1.5126 4.0479 4.0479 5.7827 5.7827 9.7105 9.7105 9.7180 9.7180 13.7477 13.7477 14.3103 14.3103 k = 0.2128 0.5000 0.3957 ( 5748 PWs) bands (ev): -38.9318 -38.9318 -15.9268 -15.9268 -15.8789 -15.8789 -12.9725 -12.9725 -12.9254 -12.9254 -12.8640 -12.8640 -1.4682 -1.4682 4.0943 4.0943 5.8411 5.8411 9.5001 9.5001 9.7376 9.7376 13.5554 13.5554 14.1077 14.1077 k = 0.2234 0.5000 0.3957 ( 5756 PWs) bands (ev): -38.9318 -38.9318 -15.9257 -15.9257 -15.8790 -15.8790 -12.9722 -12.9722 -12.9236 -12.9236 -12.8643 -12.8643 -1.4220 -1.4220 4.1421 4.1421 5.9018 5.9018 9.2928 9.2928 9.7579 9.7579 13.3654 13.3654 13.9068 13.9068 k = 0.2340 0.5000 0.3957 ( 5768 PWs) bands (ev): -38.9317 -38.9317 -15.9247 -15.9247 -15.8792 -15.8792 -12.9722 -12.9722 -12.9215 -12.9215 -12.8646 -12.8646 -1.3741 -1.3741 4.1910 4.1910 5.9648 5.9648 9.0894 9.0894 9.7789 9.7789 13.1779 13.1779 13.7077 13.7077 k = 0.2447 0.5000 0.3957 ( 5772 PWs) bands (ev): -38.9317 -38.9317 -15.9236 -15.9236 -15.8793 -15.8793 -12.9724 -12.9724 -12.9190 -12.9190 -12.8648 -12.8648 -1.3247 -1.3247 4.2409 4.2409 6.0299 6.0299 8.8905 8.8905 9.8005 9.8005 12.9931 12.9931 13.5106 13.5106 k = 0.2553 0.5000 0.3957 ( 5784 PWs) bands (ev): -38.9316 -38.9316 -15.9226 -15.9226 -15.8795 -15.8795 -12.9730 -12.9730 -12.9164 -12.9164 -12.8650 -12.8650 -1.2738 -1.2738 4.2913 4.2913 6.0968 6.0968 8.6969 8.6969 9.8227 9.8227 12.8115 12.8115 13.3158 13.3158 k = 0.2660 0.5000 0.3957 ( 5760 PWs) bands (ev): -38.9315 -38.9315 -15.9216 -15.9216 -15.8796 -15.8796 -12.9737 -12.9737 -12.9135 -12.9135 -12.8652 -12.8652 -1.2217 -1.2217 4.3422 4.3422 6.1654 6.1654 8.5092 8.5092 9.8453 9.8453 12.6331 12.6331 13.1235 13.1235 k = 0.2766 0.5000 0.3957 ( 5760 PWs) bands (ev): -38.9315 -38.9315 -15.9206 -15.9206 -15.8797 -15.8797 -12.9746 -12.9746 -12.9104 -12.9104 -12.8653 -12.8653 -1.1684 -1.1684 4.3930 4.3930 6.2350 6.2350 8.3283 8.3283 9.8683 9.8683 12.4583 12.4583 12.9337 12.9337 k = 0.2872 0.5000 0.3957 ( 5764 PWs) bands (ev): -38.9314 -38.9314 -15.9197 -15.9197 -15.8798 -15.8798 -12.9756 -12.9756 -12.9073 -12.9073 -12.8655 -12.8655 -1.1141 -1.1141 4.4434 4.4434 6.3054 6.3054 8.1552 8.1552 9.8915 9.8915 12.2874 12.2874 12.7468 12.7468 k = 0.2979 0.5000 0.3957 ( 5764 PWs) bands (ev): -38.9313 -38.9313 -15.9187 -15.9187 -15.8799 -15.8799 -12.9768 -12.9768 -12.9040 -12.9040 -12.8656 -12.8656 -1.0592 -1.0592 4.4929 4.4929 6.3756 6.3756 7.9912 7.9912 9.9150 9.9150 12.1206 12.1206 12.5629 12.5629 k = 0.3085 0.5000 0.3957 ( 5760 PWs) bands (ev): -38.9313 -38.9313 -15.9179 -15.9179 -15.8800 -15.8800 -12.9780 -12.9780 -12.9008 -12.9008 -12.8657 -12.8657 -1.0037 -1.0037 4.5412 4.5412 6.4445 6.4445 7.8378 7.8378 9.9385 9.9385 11.9582 11.9582 12.3822 12.3822 k = 0.3191 0.5000 0.3957 ( 5752 PWs) bands (ev): -38.9312 -38.9312 -15.9170 -15.9170 -15.8800 -15.8800 -12.9792 -12.9792 -12.8975 -12.8975 -12.8658 -12.8658 -0.9479 -0.9479 4.5875 4.5875 6.5106 6.5106 7.6972 7.6972 9.9620 9.9620 11.8005 11.8005 12.2051 12.2051 k = 0.3298 0.5000 0.3957 ( 5764 PWs) bands (ev): -38.9312 -38.9312 -15.9163 -15.9163 -15.8801 -15.8801 -12.9805 -12.9805 -12.8943 -12.8943 -12.8658 -12.8658 -0.8921 -0.8921 4.6313 4.6313 6.5710 6.5710 7.5726 7.5726 9.9854 9.9854 11.6478 11.6478 12.0316 12.0316 k = 0.3404 0.5000 0.3957 ( 5764 PWs) bands (ev): -38.9311 -38.9311 -15.9155 -15.9155 -15.8802 -15.8802 -12.9818 -12.9818 -12.8911 -12.8911 -12.8659 -12.8659 -0.8367 -0.8367 4.6720 4.6720 6.6217 6.6217 7.4687 7.4687 10.0084 10.0084 11.5004 11.5004 11.8622 11.8622 k = 0.3511 0.5000 0.3957 ( 5764 PWs) bands (ev): -38.9311 -38.9311 -15.9148 -15.9148 -15.8802 -15.8802 -12.9831 -12.9831 -12.8880 -12.8880 -12.8659 -12.8659 -0.7819 -0.7819 4.7089 4.7089 6.6570 6.6570 7.3916 7.3916 10.0310 10.0310 11.3589 11.3589 11.6971 11.6971 k = 0.3617 0.5000 0.3957 ( 5764 PWs) bands (ev): -38.9310 -38.9310 -15.9142 -15.9142 -15.8802 -15.8802 -12.9844 -12.9844 -12.8851 -12.8851 -12.8659 -12.8659 -0.7280 -0.7280 4.7412 4.7412 6.6709 6.6709 7.3476 7.3476 10.0531 10.0531 11.2234 11.2234 11.5369 11.5369 k = 0.3723 0.5000 0.3957 ( 5780 PWs) bands (ev): -38.9310 -38.9310 -15.9136 -15.9136 -15.8802 -15.8802 -12.9856 -12.9856 -12.8822 -12.8822 -12.8659 -12.8659 -0.6756 -0.6756 4.7684 4.7684 6.6614 6.6614 7.3390 7.3390 10.0744 10.0744 11.0945 11.0945 11.3820 11.3820 k = 0.3830 0.5000 0.3957 ( 5776 PWs) bands (ev): -38.9309 -38.9309 -15.9131 -15.9131 -15.8802 -15.8802 -12.9868 -12.9868 -12.8796 -12.8796 -12.8659 -12.8659 -0.6249 -0.6249 4.7901 4.7901 6.6334 6.6334 7.3608 7.3608 10.0947 10.0947 10.9725 10.9725 11.2330 11.2330 k = 0.3936 0.5000 0.3957 ( 5776 PWs) bands (ev): -38.9309 -38.9309 -15.9126 -15.9126 -15.8802 -15.8802 -12.9879 -12.9879 -12.8771 -12.8771 -12.8659 -12.8659 -0.5765 -0.5765 4.8058 4.8058 6.5957 6.5957 7.4040 7.4040 10.1140 10.1140 10.8579 10.8579 11.0907 11.0907 k = 0.4043 0.5000 0.3957 ( 5776 PWs) bands (ev): -38.9309 -38.9309 -15.9122 -15.9122 -15.8802 -15.8802 -12.9889 -12.9889 -12.8748 -12.8748 -12.8659 -12.8659 -0.5307 -0.5307 4.8158 4.8158 6.5559 6.5559 7.4600 7.4600 10.1320 10.1320 10.7510 10.7510 10.9560 10.9560 k = 0.4149 0.5000 0.3957 ( 5780 PWs) bands (ev): -38.9308 -38.9308 -15.9118 -15.9118 -15.8802 -15.8802 -12.9898 -12.9898 -12.8727 -12.8727 -12.8658 -12.8658 -0.4880 -0.4880 4.8202 4.8202 6.5190 6.5190 7.5225 7.5225 10.1485 10.1485 10.6522 10.6522 10.8302 10.8302 k = 0.4255 0.5000 0.3957 ( 5784 PWs) bands (ev): -38.9308 -38.9308 -15.9114 -15.9114 -15.8802 -15.8802 -12.9907 -12.9907 -12.8709 -12.8709 -12.8657 -12.8657 -0.4490 -0.4490 4.8199 4.8199 6.4875 6.4875 7.5873 7.5873 10.1633 10.1633 10.5618 10.5618 10.7149 10.7149 k = 0.4362 0.5000 0.3957 ( 5780 PWs) bands (ev): -38.9308 -38.9308 -15.9111 -15.9111 -15.8802 -15.8802 -12.9914 -12.9914 -12.8694 -12.8694 -12.8655 -12.8655 -0.4140 -0.4140 4.8159 4.8159 6.4621 6.4621 7.6510 7.6510 10.1761 10.1761 10.4796 10.4796 10.6120 10.6120 k = 0.4468 0.5000 0.3957 ( 5784 PWs) bands (ev): -38.9308 -38.9308 -15.9109 -15.9109 -15.8802 -15.8802 -12.9921 -12.9921 -12.8683 -12.8683 -12.8652 -12.8652 -0.3835 -0.3835 4.8095 4.8095 6.4427 6.4427 7.7108 7.7108 10.1867 10.1867 10.4058 10.4058 10.5238 10.5238 k = 0.4574 0.5000 0.3957 ( 5788 PWs) bands (ev): -38.9307 -38.9307 -15.9107 -15.9107 -15.8802 -15.8802 -12.9926 -12.9926 -12.8676 -12.8676 -12.8647 -12.8647 -0.3580 -0.3580 4.8019 4.8019 6.4287 6.4287 7.7643 7.7643 10.1948 10.1948 10.3409 10.3409 10.4524 10.4524 k = 0.4681 0.5000 0.3957 ( 5780 PWs) bands (ev): -38.9307 -38.9307 -15.9105 -15.9105 -15.8802 -15.8802 -12.9930 -12.9930 -12.8672 -12.8672 -12.8642 -12.8642 -0.3377 -0.3377 4.7944 4.7944 6.4190 6.4190 7.8090 7.8090 10.1998 10.1998 10.2867 10.2867 10.3985 10.3985 k = 0.4787 0.5000 0.3957 ( 5796 PWs) bands (ev): -38.9307 -38.9307 -15.9104 -15.9104 -15.8802 -15.8802 -12.9933 -12.9933 -12.8670 -12.8670 -12.8637 -12.8637 -0.3229 -0.3229 4.7883 4.7883 6.4129 6.4129 7.8428 7.8428 10.2008 10.2008 10.2468 10.2468 10.3618 10.3618 k = 0.4894 0.5000 0.3957 ( 5804 PWs) bands (ev): -38.9307 -38.9307 -15.9104 -15.9104 -15.8802 -15.8802 -12.9935 -12.9935 -12.8669 -12.8669 -12.8634 -12.8634 -0.3140 -0.3140 4.7842 4.7842 6.4096 6.4096 7.8639 7.8639 10.1967 10.1967 10.2257 10.2257 10.3408 10.3408 k = 0.5000 0.5000 0.3957 ( 5800 PWs) bands (ev): -38.9307 -38.9307 -15.9104 -15.9104 -15.8802 -15.8802 -12.9936 -12.9936 -12.8668 -12.8668 -12.8633 -12.8633 -0.3110 -0.3110 4.7828 4.7828 6.4085 6.4085 7.8711 7.8711 10.1930 10.1930 10.2206 10.2206 10.3340 10.3340 k = 0.5000 0.5000 0.3957 ( 5800 PWs) bands (ev): -38.9307 -38.9307 -15.9104 -15.9104 -15.8802 -15.8802 -12.9936 -12.9936 -12.8668 -12.8668 -12.8633 -12.8633 -0.3110 -0.3110 4.7828 4.7828 6.4085 6.4085 7.8711 7.8711 10.1930 10.1930 10.2206 10.2206 10.3340 10.3340 k = 0.4924 0.4924 0.3957 ( 5802 PWs) bands (ev): -38.9307 -38.9307 -15.9104 -15.9104 -15.8802 -15.8802 -12.9935 -12.9935 -12.8669 -12.8669 -12.8634 -12.8634 -0.3141 -0.3141 4.7842 4.7842 6.4096 6.4096 7.8638 7.8638 10.1974 10.1974 10.2252 10.2252 10.3408 10.3408 k = 0.4848 0.4848 0.3957 ( 5794 PWs) bands (ev): -38.9307 -38.9307 -15.9104 -15.9104 -15.8802 -15.8802 -12.9933 -12.9933 -12.8669 -12.8669 -12.8637 -12.8637 -0.3232 -0.3232 4.7886 4.7886 6.4128 6.4128 7.8423 7.8423 10.2077 10.2077 10.2411 10.2411 10.3615 10.3615 k = 0.4773 0.4773 0.3957 ( 5794 PWs) bands (ev): -38.9307 -38.9307 -15.9105 -15.9105 -15.8802 -15.8802 -12.9930 -12.9930 -12.8671 -12.8671 -12.8643 -12.8643 -0.3382 -0.3382 4.7958 4.7958 6.4182 6.4182 7.8075 7.8075 10.2198 10.2198 10.2709 10.2709 10.3967 10.3967 k = 0.4697 0.4697 0.3957 ( 5794 PWs) bands (ev): -38.9307 -38.9307 -15.9107 -15.9107 -15.8802 -15.8802 -12.9926 -12.9926 -12.8673 -12.8673 -12.8650 -12.8650 -0.3591 -0.3591 4.8057 4.8057 6.4258 6.4258 7.7608 7.7608 10.2329 10.2329 10.3136 10.3136 10.4465 10.4465 k = 0.4621 0.4621 0.3957 ( 5778 PWs) bands (ev): -38.9307 -38.9307 -15.9109 -15.9109 -15.8802 -15.8802 -12.9920 -12.9920 -12.8675 -12.8675 -12.8660 -12.8660 -0.3858 -0.3858 4.8184 4.8184 6.4357 6.4357 7.7040 7.7040 10.2477 10.2477 10.3670 10.3670 10.5104 10.5104 k = 0.4545 0.4545 0.3957 ( 5778 PWs) bands (ev): -38.9308 -38.9308 -15.9111 -15.9111 -15.8802 -15.8802 -12.9914 -12.9914 -12.8679 -12.8679 -12.8672 -12.8672 -0.4179 -0.4179 4.8337 4.8337 6.4481 6.4481 7.6387 7.6387 10.2645 10.2645 10.4296 10.4296 10.5876 10.5876 k = 0.4470 0.4470 0.3957 ( 5778 PWs) bands (ev): -38.9308 -38.9308 -15.9114 -15.9114 -15.8802 -15.8802 -12.9906 -12.9906 -12.8686 -12.8686 -12.8682 -12.8682 -0.4553 -0.4553 4.8514 4.8514 6.4631 6.4631 7.5667 7.5667 10.2837 10.2837 10.5005 10.5005 10.6768 10.6768 k = 0.4394 0.4394 0.3957 ( 5766 PWs) bands (ev): -38.9308 -38.9308 -15.9117 -15.9117 -15.8803 -15.8803 -12.9897 -12.9897 -12.8702 -12.8702 -12.8686 -12.8686 -0.4978 -0.4978 4.8714 4.8714 6.4807 6.4807 7.4897 7.4897 10.3053 10.3053 10.5786 10.5786 10.7769 10.7769 k = 0.4318 0.4318 0.3957 ( 5758 PWs) bands (ev): -38.9309 -38.9309 -15.9121 -15.9121 -15.8803 -15.8803 -12.9887 -12.9887 -12.8720 -12.8720 -12.8691 -12.8691 -0.5449 -0.5449 4.8935 4.8935 6.5010 6.5010 7.4090 7.4090 10.3294 10.3294 10.6630 10.6630 10.8868 10.8868 k = 0.4242 0.4242 0.3957 ( 5758 PWs) bands (ev): -38.9309 -38.9309 -15.9125 -15.9125 -15.8803 -15.8803 -12.9876 -12.9876 -12.8739 -12.8739 -12.8696 -12.8696 -0.5966 -0.5966 4.9174 4.9174 6.5242 6.5242 7.3260 7.3260 10.3561 10.3561 10.7528 10.7528 11.0061 11.0061 k = 0.4167 0.4167 0.3957 ( 5754 PWs) bands (ev): -38.9309 -38.9309 -15.9130 -15.9130 -15.8804 -15.8804 -12.9863 -12.9863 -12.8761 -12.8761 -12.8702 -12.8702 -0.6523 -0.6523 4.9429 4.9429 6.5502 6.5502 7.2420 7.2420 10.3855 10.3855 10.8468 10.8468 11.1340 11.1340 k = 0.4091 0.4091 0.3957 ( 5756 PWs) bands (ev): -38.9310 -38.9310 -15.9135 -15.9135 -15.8804 -15.8804 -12.9850 -12.9850 -12.8784 -12.8784 -12.8709 -12.8709 -0.7118 -0.7118 4.9695 4.9695 6.5790 6.5790 7.1584 7.1584 10.4176 10.4176 10.9440 10.9440 11.2705 11.2705 k = 0.4015 0.4015 0.3957 ( 5756 PWs) bands (ev): -38.9310 -38.9310 -15.9141 -15.9141 -15.8805 -15.8805 -12.9836 -12.9836 -12.8809 -12.8809 -12.8715 -12.8715 -0.7748 -0.7748 4.9969 4.9969 6.6102 6.6102 7.0764 7.0764 10.4524 10.4524 11.0435 11.0435 11.4153 11.4153 k = 0.3939 0.3939 0.3957 ( 5760 PWs) bands (ev): -38.9311 -38.9311 -15.9147 -15.9147 -15.8806 -15.8806 -12.9821 -12.9821 -12.8835 -12.8835 -12.8723 -12.8723 -0.8409 -0.8409 5.0246 5.0246 6.6431 6.6431 6.9980 6.9980 10.4899 10.4899 11.1444 11.1444 11.5681 11.5681 k = 0.3864 0.3864 0.3957 ( 5744 PWs) bands (ev): -38.9311 -38.9311 -15.9153 -15.9153 -15.8806 -15.8806 -12.9806 -12.9806 -12.8863 -12.8863 -12.8731 -12.8731 -0.9098 -0.9098 5.0518 5.0518 6.6754 6.6754 6.9268 6.9268 10.5301 10.5301 11.2460 11.2460 11.7287 11.7287 k = 0.3788 0.3788 0.3957 ( 5742 PWs) bands (ev): -38.9312 -38.9312 -15.9160 -15.9160 -15.8807 -15.8807 -12.9789 -12.9789 -12.8892 -12.8892 -12.8739 -12.8739 -0.9811 -0.9811 5.0780 5.0780 6.6992 6.6992 6.8716 6.8716 10.5731 10.5731 11.3478 11.3478 11.8969 11.8969 k = 0.3712 0.3712 0.3957 ( 5742 PWs) bands (ev): -38.9313 -38.9313 -15.9167 -15.9167 -15.8808 -15.8808 -12.9772 -12.9772 -12.8922 -12.8922 -12.8748 -12.8748 -1.0547 -1.0547 5.1020 5.1020 6.6946 6.6946 6.8535 6.8535 10.6188 10.6188 11.4492 11.4492 12.0724 12.0724 k = 0.3636 0.3636 0.3957 ( 5746 PWs) bands (ev): -38.9313 -38.9313 -15.9175 -15.9175 -15.8809 -15.8809 -12.9754 -12.9754 -12.8953 -12.8953 -12.8757 -12.8757 -1.1300 -1.1300 5.1230 5.1230 6.6578 6.6578 6.8778 6.8778 10.6673 10.6673 11.5500 11.5500 12.2549 12.2549 k = 0.3561 0.3561 0.3957 ( 5742 PWs) bands (ev): -38.9314 -38.9314 -15.9183 -15.9183 -15.8810 -15.8810 -12.9736 -12.9736 -12.8985 -12.8985 -12.8766 -12.8766 -1.2070 -1.2070 5.1397 5.1397 6.6120 6.6120 6.9227 6.9227 10.7185 10.7185 11.6500 11.6500 12.4439 12.4439 k = 0.3485 0.3485 0.3957 ( 5742 PWs) bands (ev): -38.9315 -38.9315 -15.9191 -15.9191 -15.8811 -15.8811 -12.9718 -12.9718 -12.9018 -12.9018 -12.8776 -12.8776 -1.2852 -1.2852 5.1509 5.1509 6.5698 6.5698 6.9770 6.9770 10.7725 10.7725 11.7490 11.7490 12.6390 12.6390 k = 0.3409 0.3409 0.3957 ( 5738 PWs) bands (ev): -38.9315 -38.9315 -15.9200 -15.9200 -15.8812 -15.8812 -12.9699 -12.9699 -12.9051 -12.9051 -12.8787 -12.8787 -1.3644 -1.3644 5.1552 5.1552 6.5359 6.5359 7.0374 7.0374 10.8293 10.8293 11.8471 11.8471 12.8399 12.8399 k = 0.3333 0.3333 0.3957 ( 5742 PWs) bands (ev): -38.9316 -38.9316 -15.9210 -15.9210 -15.8813 -15.8813 -12.9681 -12.9681 -12.9084 -12.9084 -12.8797 -12.8797 -1.4443 -1.4443 5.1517 5.1517 6.5127 6.5127 7.1028 7.1028 10.8888 10.8888 11.9441 11.9441 13.0461 13.0461 k = 0.3258 0.3258 0.3957 ( 5742 PWs) bands (ev): -38.9317 -38.9317 -15.9219 -15.9219 -15.8814 -15.8814 -12.9663 -12.9663 -12.9117 -12.9117 -12.8808 -12.8808 -1.5248 -1.5248 5.1396 5.1396 6.5015 6.5015 7.1725 7.1725 10.9511 10.9511 12.0402 12.0402 13.2572 13.2572 k = 0.3182 0.3182 0.3957 ( 5750 PWs) bands (ev): -38.9318 -38.9318 -15.9229 -15.9229 -15.8815 -15.8815 -12.9646 -12.9646 -12.9150 -12.9150 -12.8820 -12.8820 -1.6055 -1.6055 5.1187 5.1187 6.5029 6.5029 7.2463 7.2463 11.0161 11.0161 12.1354 12.1354 13.4725 13.4725 k = 0.3106 0.3106 0.3957 ( 5750 PWs) bands (ev): -38.9319 -38.9319 -15.9240 -15.9240 -15.8816 -15.8816 -12.9630 -12.9630 -12.9181 -12.9181 -12.8832 -12.8832 -1.6863 -1.6863 5.0892 5.0892 6.5168 6.5168 7.3242 7.3242 11.0839 11.0839 12.2298 12.2298 13.6916 13.6916 k = 0.3030 0.3030 0.3957 ( 5754 PWs) bands (ev): -38.9319 -38.9319 -15.9251 -15.9251 -15.8818 -15.8818 -12.9616 -12.9616 -12.9210 -12.9210 -12.8844 -12.8844 -1.7669 -1.7669 5.0521 5.0521 6.5426 6.5426 7.4059 7.4059 11.1545 11.1545 12.3235 12.3235 13.9137 13.9137 k = 0.2955 0.2955 0.3957 ( 5754 PWs) bands (ev): -38.9320 -38.9320 -15.9262 -15.9262 -15.8819 -15.8819 -12.9605 -12.9605 -12.9236 -12.9236 -12.8856 -12.8856 -1.8472 -1.8472 5.0082 5.0082 6.5792 6.5792 7.4915 7.4915 11.2279 11.2279 12.4166 12.4166 14.1383 14.1383 k = 0.2879 0.2879 0.3957 ( 5752 PWs) bands (ev): -38.9321 -38.9321 -15.9273 -15.9273 -15.8821 -15.8821 -12.9599 -12.9599 -12.9258 -12.9258 -12.8868 -12.8868 -1.9270 -1.9270 4.9589 4.9589 6.6257 6.6257 7.5807 7.5807 11.3040 11.3040 12.5093 12.5093 14.3645 14.3645 k = 0.2803 0.2803 0.3957 ( 5754 PWs) bands (ev): -38.9322 -38.9322 -15.9285 -15.9285 -15.8822 -15.8822 -12.9598 -12.9598 -12.9274 -12.9274 -12.8881 -12.8881 -2.0061 -2.0061 4.9051 4.9051 6.6809 6.6809 7.6736 7.6736 11.3829 11.3829 12.6017 12.6017 14.5914 14.5914 k = 0.2727 0.2727 0.3957 ( 5762 PWs) bands (ev): -38.9323 -38.9323 -15.9297 -15.9297 -15.8824 -15.8824 -12.9604 -12.9604 -12.9284 -12.9284 -12.8893 -12.8893 -2.0844 -2.0844 4.8481 4.8481 6.7439 6.7439 7.7701 7.7701 11.4646 11.4646 12.6939 12.6939 14.8176 14.8176 k = 0.2652 0.2652 0.3957 ( 5758 PWs) bands (ev): -38.9324 -38.9324 -15.9309 -15.9309 -15.8825 -15.8825 -12.9616 -12.9616 -12.9287 -12.9287 -12.8906 -12.8906 -2.1617 -2.1617 4.7888 4.7888 6.8137 6.8137 7.8700 7.8700 11.5490 11.5490 12.7859 12.7859 15.0420 15.0420 k = 0.2576 0.2576 0.3957 ( 5756 PWs) bands (ev): -38.9325 -38.9325 -15.9322 -15.9322 -15.8827 -15.8827 -12.9635 -12.9635 -12.9283 -12.9283 -12.8919 -12.8919 -2.2378 -2.2378 4.7278 4.7278 6.8895 6.8895 7.9734 7.9734 11.6362 11.6362 12.8780 12.8780 15.2627 15.2627 k = 0.2500 0.2500 0.3957 ( 5740 PWs) bands (ev): -38.9326 -38.9326 -15.9334 -15.9334 -15.8829 -15.8829 -12.9658 -12.9658 -12.9274 -12.9274 -12.8932 -12.8932 -2.3127 -2.3127 4.6659 4.6659 6.9708 6.9708 8.0802 8.0802 11.7262 11.7262 12.9702 12.9702 15.4775 15.4775 k = 0.2424 0.2424 0.3957 ( 5744 PWs) bands (ev): -38.9327 -38.9327 -15.9347 -15.9347 -15.8831 -15.8831 -12.9686 -12.9686 -12.9261 -12.9261 -12.8946 -12.8946 -2.3863 -2.3863 4.6037 4.6037 7.0570 7.0570 8.1902 8.1902 11.8189 11.8189 13.0626 13.0626 15.6839 15.6839 k = 0.2348 0.2348 0.3957 ( 5748 PWs) bands (ev): -38.9327 -38.9327 -15.9360 -15.9360 -15.8833 -15.8833 -12.9716 -12.9716 -12.9245 -12.9245 -12.8959 -12.8959 -2.4584 -2.4584 4.5415 4.5415 7.1476 7.1476 8.3034 8.3034 11.9144 11.9144 13.1552 13.1552 15.8788 15.8788 k = 0.2273 0.2273 0.3957 ( 5748 PWs) bands (ev): -38.9328 -38.9328 -15.9373 -15.9373 -15.8835 -15.8835 -12.9748 -12.9748 -12.9227 -12.9227 -12.8972 -12.8972 -2.5289 -2.5289 4.4797 4.4797 7.2424 7.2424 8.4197 8.4197 12.0126 12.0126 13.2482 13.2482 16.0584 16.0584 k = 0.2197 0.2197 0.3957 ( 5746 PWs) bands (ev): -38.9329 -38.9329 -15.9386 -15.9386 -15.8836 -15.8836 -12.9781 -12.9781 -12.9208 -12.9208 -12.8985 -12.8985 -2.5978 -2.5978 4.4186 4.4186 7.3410 7.3410 8.5391 8.5391 12.1136 12.1136 13.3416 13.3416 16.2190 16.2190 k = 0.2121 0.2121 0.3957 ( 5742 PWs) bands (ev): -38.9330 -38.9330 -15.9399 -15.9399 -15.8838 -15.8838 -12.9815 -12.9815 -12.9188 -12.9188 -12.8998 -12.8998 -2.6650 -2.6650 4.3585 4.3585 7.4430 7.4430 8.6614 8.6614 12.2174 12.2174 13.4354 13.4354 16.3566 16.3566 k = 0.2045 0.2045 0.3957 ( 5738 PWs) bands (ev): -38.9331 -38.9331 -15.9412 -15.9412 -15.8840 -15.8840 -12.9848 -12.9848 -12.9167 -12.9167 -12.9011 -12.9011 -2.7303 -2.7303 4.2996 4.2996 7.5483 7.5483 8.7865 8.7865 12.3238 12.3238 13.5297 13.5297 16.4678 16.4678 k = 0.1970 0.1970 0.3957 ( 5746 PWs) bands (ev): -38.9332 -38.9332 -15.9425 -15.9425 -15.8842 -15.8842 -12.9882 -12.9882 -12.9146 -12.9146 -12.9024 -12.9024 -2.7937 -2.7937 4.2420 4.2420 7.6566 7.6566 8.9143 8.9143 12.4331 12.4331 13.6245 13.6245 16.5504 16.5504 k = 0.1894 0.1894 0.3957 ( 5750 PWs) bands (ev): -38.9333 -38.9333 -15.9438 -15.9438 -15.8844 -15.8844 -12.9916 -12.9916 -12.9125 -12.9125 -12.9036 -12.9036 -2.8552 -2.8552 4.1860 4.1860 7.7678 7.7678 9.0448 9.0448 12.5450 12.5450 13.7197 13.7197 16.6031 16.6031 k = 0.1818 0.1818 0.3957 ( 5746 PWs) bands (ev): -38.9334 -38.9334 -15.9451 -15.9451 -15.8846 -15.8846 -12.9948 -12.9948 -12.9104 -12.9104 -12.9048 -12.9048 -2.9146 -2.9146 4.1315 4.1315 7.8815 7.8815 9.1778 9.1778 12.6596 12.6596 13.8154 13.8154 16.6258 16.6258 k = 0.1742 0.1742 0.3957 ( 5748 PWs) bands (ev): -38.9334 -38.9334 -15.9463 -15.9463 -15.8848 -15.8848 -12.9981 -12.9981 -12.9085 -12.9085 -12.9059 -12.9059 -2.9720 -2.9720 4.0788 4.0788 7.9977 7.9977 9.3132 9.3132 12.7770 12.7770 13.9116 13.9116 16.6193 16.6193 k = 0.1667 0.1667 0.3957 ( 5744 PWs) bands (ev): -38.9335 -38.9335 -15.9476 -15.9476 -15.8850 -15.8850 -13.0012 -13.0012 -12.9078 -12.9078 -12.9057 -12.9057 -3.0272 -3.0272 4.0279 4.0279 8.1159 8.1159 9.4508 9.4508 12.8970 12.8970 14.0082 14.0082 16.5854 16.5854 k = 0.1591 0.1591 0.3957 ( 5748 PWs) bands (ev): -38.9336 -38.9336 -15.9488 -15.9488 -15.8853 -15.8853 -13.0043 -13.0043 -12.9087 -12.9087 -12.9040 -12.9040 -3.0802 -3.0802 3.9789 3.9789 8.2362 8.2362 9.5906 9.5906 13.0196 13.0196 14.1051 14.1051 16.5262 16.5262 k = 0.1515 0.1515 0.3957 ( 5740 PWs) bands (ev): -38.9337 -38.9337 -15.9500 -15.9500 -15.8854 -15.8854 -13.0072 -13.0072 -12.9098 -12.9098 -12.9021 -12.9021 -3.1311 -3.1311 3.9318 3.9318 8.3581 8.3581 9.7324 9.7324 13.1449 13.1449 14.2022 14.2022 16.4443 16.4443 k = 0.1439 0.1439 0.3957 ( 5744 PWs) bands (ev): -38.9337 -38.9337 -15.9512 -15.9512 -15.8856 -15.8856 -13.0101 -13.0101 -12.9108 -12.9108 -12.9002 -12.9002 -3.1796 -3.1796 3.8868 3.8868 8.4814 8.4814 9.8759 9.8759 13.2728 13.2728 14.2994 14.2994 16.3425 16.3425 k = 0.1364 0.1364 0.3957 ( 5724 PWs) bands (ev): -38.9338 -38.9338 -15.9523 -15.9523 -15.8858 -15.8858 -13.0128 -13.0128 -12.9119 -12.9119 -12.8984 -12.8984 -3.2259 -3.2259 3.8438 3.8438 8.6057 8.6057 10.0212 10.0212 13.4032 13.4032 14.3966 14.3966 16.2238 16.2238 k = 0.1288 0.1288 0.3957 ( 5722 PWs) bands (ev): -38.9339 -38.9339 -15.9534 -15.9534 -15.8860 -15.8860 -13.0155 -13.0155 -12.9129 -12.9129 -12.8966 -12.8966 -3.2698 -3.2698 3.8030 3.8030 8.7308 8.7308 10.1678 10.1678 13.5362 13.5362 14.4933 14.4933 16.0910 16.0910 k = 0.1212 0.1212 0.3957 ( 5734 PWs) bands (ev): -38.9339 -38.9339 -15.9545 -15.9545 -15.8862 -15.8862 -13.0180 -13.0180 -12.9139 -12.9139 -12.8949 -12.8949 -3.3113 -3.3113 3.7643 3.7643 8.8563 8.8563 10.3158 10.3158 13.6715 13.6715 14.5893 14.5893 15.9471 15.9471 k = 0.1136 0.1136 0.3957 ( 5734 PWs) bands (ev): -38.9340 -38.9340 -15.9555 -15.9555 -15.8864 -15.8864 -13.0204 -13.0204 -12.9148 -12.9148 -12.8933 -12.8933 -3.3505 -3.3505 3.7278 3.7278 8.9816 8.9816 10.4648 10.4648 13.8093 13.8093 14.6839 14.6839 15.7948 15.7948 k = 0.1061 0.1061 0.3957 ( 5734 PWs) bands (ev): -38.9341 -38.9341 -15.9564 -15.9564 -15.8865 -15.8865 -13.0226 -13.0226 -12.9157 -12.9157 -12.8918 -12.8918 -3.3872 -3.3872 3.6935 3.6935 9.1062 9.1062 10.6145 10.6145 13.9493 13.9493 14.7758 14.7758 15.6374 15.6374 k = 0.0985 0.0985 0.3957 ( 5726 PWs) bands (ev): -38.9341 -38.9341 -15.9573 -15.9573 -15.8867 -15.8867 -13.0247 -13.0247 -12.9165 -12.9165 -12.8903 -12.8903 -3.4215 -3.4215 3.6615 3.6615 9.2296 9.2296 10.7647 10.7647 14.0915 14.0915 14.8622 14.8622 15.4792 15.4792 k = 0.0909 0.0909 0.3957 ( 5726 PWs) bands (ev): -38.9342 -38.9342 -15.9582 -15.9582 -15.8868 -15.8868 -13.0267 -13.0267 -12.9173 -12.9173 -12.8890 -12.8890 -3.4534 -3.4534 3.6318 3.6318 9.3509 9.3509 10.9152 10.9152 14.2356 14.2356 14.9340 14.9340 15.3307 15.3307 k = 0.0833 0.0833 0.3957 ( 5730 PWs) bands (ev): -38.9342 -38.9342 -15.9590 -15.9590 -15.8870 -15.8870 -13.0285 -13.0285 -12.9181 -12.9181 -12.8877 -12.8877 -3.4827 -3.4827 3.6044 3.6044 9.4695 9.4695 11.0654 11.0654 14.3815 14.3815 14.9544 14.9544 15.2299 15.2299 k = 0.0758 0.0758 0.3957 ( 5734 PWs) bands (ev): -38.9342 -38.9342 -15.9597 -15.9597 -15.8871 -15.8871 -13.0302 -13.0302 -12.9187 -12.9187 -12.8866 -12.8866 -3.5095 -3.5095 3.5793 3.5793 9.5844 9.5844 11.2149 11.2149 14.5289 14.5289 14.8663 14.8663 15.2346 15.2346 k = 0.0682 0.0682 0.3957 ( 5726 PWs) bands (ev): -38.9343 -38.9343 -15.9604 -15.9604 -15.8872 -15.8872 -13.0317 -13.0317 -12.9194 -12.9194 -12.8855 -12.8855 -3.5339 -3.5339 3.5566 3.5566 9.6945 9.6945 11.3633 11.3633 14.6771 14.6771 14.7201 14.7201 15.2955 15.2955 k = 0.0606 0.0606 0.3957 ( 5732 PWs) bands (ev): -38.9343 -38.9343 -15.9610 -15.9610 -15.8873 -15.8873 -13.0331 -13.0331 -12.9199 -12.9199 -12.8845 -12.8845 -3.5557 -3.5557 3.5362 3.5362 9.7986 9.7986 11.5097 11.5097 14.5600 14.5600 14.8263 14.8263 15.3682 15.3682 k = 0.0530 0.0530 0.3957 ( 5732 PWs) bands (ev): -38.9344 -38.9344 -15.9616 -15.9616 -15.8874 -15.8874 -13.0343 -13.0343 -12.9204 -12.9204 -12.8837 -12.8837 -3.5749 -3.5749 3.5181 3.5181 9.8954 9.8954 11.6533 11.6533 14.3992 14.3992 14.9747 14.9747 15.4411 15.4411 k = 0.0455 0.0455 0.3957 ( 5728 PWs) bands (ev): -38.9344 -38.9344 -15.9621 -15.9621 -15.8875 -15.8875 -13.0354 -13.0354 -12.9208 -12.9208 -12.8830 -12.8830 -3.5917 -3.5917 3.5025 3.5025 9.9836 9.9836 11.7926 11.7926 14.2420 14.2420 15.1215 15.1215 15.5101 15.5101 k = 0.0379 0.0379 0.3957 ( 5734 PWs) bands (ev): -38.9344 -38.9344 -15.9625 -15.9625 -15.8876 -15.8876 -13.0363 -13.0363 -12.9212 -12.9212 -12.8823 -12.8823 -3.6058 -3.6058 3.4892 3.4892 10.0617 10.0617 11.9257 11.9257 14.0921 14.0921 15.2645 15.2645 15.5727 15.5727 k = 0.0303 0.0303 0.3957 ( 5730 PWs) bands (ev): -38.9344 -38.9344 -15.9628 -15.9628 -15.8877 -15.8877 -13.0370 -13.0370 -12.9215 -12.9215 -12.8818 -12.8818 -3.6174 -3.6174 3.4784 3.4784 10.1281 10.1281 12.0495 12.0495 13.9536 13.9536 15.4004 15.4004 15.6272 15.6272 k = 0.0227 0.0227 0.3957 ( 5722 PWs) bands (ev): -38.9344 -38.9344 -15.9631 -15.9631 -15.8877 -15.8877 -13.0376 -13.0376 -12.9217 -12.9217 -12.8814 -12.8814 -3.6264 -3.6264 3.4699 3.4699 10.1816 10.1816 12.1594 12.1594 13.8316 13.8316 15.5236 15.5236 15.6721 15.6721 k = 0.0152 0.0152 0.3957 ( 5720 PWs) bands (ev): -38.9344 -38.9344 -15.9633 -15.9633 -15.8877 -15.8877 -13.0380 -13.0380 -12.9219 -12.9219 -12.8811 -12.8811 -3.6329 -3.6329 3.4639 3.4639 10.2207 10.2207 12.2485 12.2485 13.7335 13.7335 15.6248 15.6248 15.7073 15.7073 k = 0.0076 0.0076 0.3957 ( 5728 PWs) bands (ev): -38.9345 -38.9345 -15.9634 -15.9634 -15.8878 -15.8878 -13.0382 -13.0382 -12.9220 -12.9220 -12.8810 -12.8810 -3.6367 -3.6367 3.4603 3.4603 10.2446 10.2446 12.3080 12.3080 13.6686 13.6686 15.6883 15.6883 15.7350 15.7350 k = 0.0000 0.0000 0.3957 ( 5730 PWs) bands (ev): -38.9345 -38.9345 -15.9634 -15.9634 -15.8878 -15.8878 -13.0383 -13.0383 -12.9220 -12.9220 -12.8809 -12.8809 -3.6380 -3.6380 3.4591 3.4591 10.2527 10.2527 12.3291 12.3291 13.6456 13.6456 15.7066 15.7066 15.7492 15.7492 k = 0.0000 0.5000-0.0000 ( 5696 PWs) bands (ev): -38.9326 -38.9326 -15.9406 -15.9406 -15.8799 -15.8799 -12.9987 -12.9987 -12.9219 -12.9219 -12.8691 -12.8691 -2.3597 -2.3597 3.2872 3.2872 8.4876 8.4876 11.0977 11.0977 12.4081 12.4081 12.6541 12.6541 14.1040 14.1040 k = 0.0000 0.5000 0.0107 ( 5696 PWs) bands (ev): -38.9326 -38.9326 -15.9406 -15.9406 -15.8799 -15.8799 -12.9987 -12.9987 -12.9219 -12.9219 -12.8691 -12.8691 -2.3591 -2.3591 3.2878 3.2878 8.4728 8.4728 11.1133 11.1133 12.3882 12.3882 12.6626 12.6626 14.1209 14.1209 k = 0.0000 0.5000 0.0214 ( 5712 PWs) bands (ev): -38.9326 -38.9326 -15.9406 -15.9406 -15.8798 -15.8798 -12.9987 -12.9987 -12.9220 -12.9220 -12.8690 -12.8690 -2.3571 -2.3571 3.2894 3.2894 8.4296 8.4296 11.1590 11.1590 12.3349 12.3349 12.6834 12.6834 14.1700 14.1700 k = 0.0000 0.5000 0.0321 ( 5710 PWs) bands (ev): -38.9326 -38.9326 -15.9406 -15.9406 -15.8798 -15.8798 -12.9986 -12.9986 -12.9220 -12.9220 -12.8689 -12.8689 -2.3538 -2.3538 3.2922 3.2922 8.3611 8.3611 11.2310 11.2310 12.2587 12.2587 12.7108 12.7108 14.2473 14.2473 k = 0.0000 0.5000 0.0428 ( 5718 PWs) bands (ev): -38.9326 -38.9326 -15.9406 -15.9406 -15.8798 -15.8798 -12.9986 -12.9986 -12.9221 -12.9221 -12.8688 -12.8688 -2.3493 -2.3493 3.2960 3.2960 8.2716 8.2716 11.3238 11.3238 12.1672 12.1672 12.7430 12.7430 14.3475 14.3475 k = 0.0000 0.5000 0.0535 ( 5720 PWs) bands (ev): -38.9326 -38.9326 -15.9406 -15.9406 -15.8797 -15.8797 -12.9986 -12.9986 -12.9222 -12.9222 -12.8687 -12.8687 -2.3434 -2.3434 3.3008 3.3008 8.1654 8.1654 11.4311 11.4311 12.0665 12.0665 12.7811 12.7811 14.4657 14.4657 k = 0.0000 0.5000 0.0642 ( 5720 PWs) bands (ev): -38.9326 -38.9326 -15.9406 -15.9406 -15.8797 -15.8797 -12.9985 -12.9985 -12.9223 -12.9223 -12.8685 -12.8685 -2.3364 -2.3364 3.3067 3.3067 8.0468 8.0468 11.5441 11.5441 11.9628 11.9628 12.8273 12.8273 14.5978 14.5978 k = 0.0000 0.5000 0.0749 ( 5724 PWs) bands (ev): -38.9326 -38.9326 -15.9406 -15.9406 -15.8796 -15.8796 -12.9985 -12.9985 -12.9224 -12.9224 -12.8682 -12.8682 -2.3281 -2.3281 3.3136 3.3136 7.9191 7.9191 11.6430 11.6430 11.8727 11.8727 12.8842 12.8842 14.7403 14.7403 k = 0.0000 0.5000 0.0856 ( 5732 PWs) bands (ev): -38.9326 -38.9326 -15.9406 -15.9406 -15.8795 -15.8795 -12.9984 -12.9984 -12.9225 -12.9225 -12.8680 -12.8680 -2.3187 -2.3187 3.3214 3.3214 7.7851 7.7851 11.6512 11.6512 11.8694 11.8694 12.9549 12.9549 14.8906 14.8906 k = 0.0000 0.5000 0.0962 ( 5734 PWs) bands (ev): -38.9326 -38.9326 -15.9406 -15.9406 -15.8794 -15.8794 -12.9984 -12.9984 -12.9226 -12.9226 -12.8677 -12.8677 -2.3081 -2.3081 3.3301 3.3301 7.6472 7.6472 11.5604 11.5604 11.9574 11.9574 13.0424 13.0424 15.0465 15.0465 k = 0.0000 0.5000 0.1069 ( 5730 PWs) bands (ev): -38.9326 -38.9326 -15.9406 -15.9406 -15.8793 -15.8793 -12.9983 -12.9983 -12.9228 -12.9228 -12.8674 -12.8674 -2.2965 -2.2965 3.3396 3.3396 7.5072 7.5072 11.4482 11.4482 12.0561 12.0561 13.1489 13.1489 15.2062 15.2062 k = 0.0000 0.5000 0.1176 ( 5740 PWs) bands (ev): -38.9326 -38.9326 -15.9406 -15.9406 -15.8793 -15.8793 -12.9982 -12.9982 -12.9230 -12.9230 -12.8670 -12.8670 -2.2839 -2.2839 3.3498 3.3498 7.3664 7.3664 11.3318 11.3318 12.1468 12.1468 13.2755 13.2755 15.3681 15.3681 k = 0.0000 0.5000 0.1283 ( 5740 PWs) bands (ev): -38.9326 -38.9326 -15.9406 -15.9406 -15.8791 -15.8791 -12.9981 -12.9981 -12.9231 -12.9231 -12.8667 -12.8667 -2.2704 -2.2704 3.3608 3.3608 7.2259 7.2259 11.2149 11.2149 12.2260 12.2260 13.4210 13.4210 15.5304 15.5304 k = 0.0000 0.5000 0.1390 ( 5748 PWs) bands (ev): -38.9326 -38.9326 -15.9406 -15.9406 -15.8790 -15.8790 -12.9981 -12.9981 -12.9233 -12.9233 -12.8663 -12.8663 -2.2560 -2.2560 3.3723 3.3723 7.0869 7.0869 11.0991 11.0991 12.2940 12.2940 13.5833 13.5833 15.6916 15.6916 k = 0.0000 0.5000 0.1497 ( 5756 PWs) bands (ev): -38.9326 -38.9326 -15.9406 -15.9406 -15.8789 -15.8789 -12.9980 -12.9980 -12.9235 -12.9235 -12.8659 -12.8659 -2.2408 -2.2408 3.3843 3.3843 6.9498 6.9498 10.9851 10.9851 12.3522 12.3522 13.7592 13.7592 15.8498 15.8498 k = 0.0000 0.5000 0.1604 ( 5756 PWs) bands (ev): -38.9326 -38.9326 -15.9406 -15.9406 -15.8788 -15.8788 -12.9979 -12.9979 -12.9237 -12.9237 -12.8654 -12.8654 -2.2249 -2.2249 3.3968 3.3968 6.8156 6.8156 10.8735 10.8735 12.4027 12.4027 13.9455 13.9455 16.0029 16.0029 k = 0.0000 0.5000 0.1711 ( 5758 PWs) bands (ev): -38.9326 -38.9326 -15.9406 -15.9406 -15.8787 -15.8787 -12.9978 -12.9978 -12.9239 -12.9239 -12.8650 -12.8650 -2.2084 -2.2084 3.4095 3.4095 6.6846 6.6846 10.7647 10.7647 12.4472 12.4472 14.1395 14.1395 16.1487 16.1487 k = 0.0000 0.5000 0.1818 ( 5758 PWs) bands (ev): -38.9326 -38.9326 -15.9406 -15.9406 -15.8785 -15.8785 -12.9977 -12.9977 -12.9241 -12.9241 -12.8646 -12.8646 -2.1915 -2.1915 3.4225 3.4225 6.5573 6.5573 10.6590 10.6590 12.4870 12.4870 14.3386 14.3386 16.2847 16.2847 k = 0.0000 0.5000 0.1925 ( 5758 PWs) bands (ev): -38.9326 -38.9326 -15.9406 -15.9406 -15.8784 -15.8784 -12.9976 -12.9976 -12.9244 -12.9244 -12.8641 -12.8641 -2.1741 -2.1741 3.4355 3.4355 6.4343 6.4343 10.5568 10.5568 12.5232 12.5232 14.5406 14.5406 16.4087 16.4087 k = 0.0000 0.5000 0.2032 ( 5746 PWs) bands (ev): -38.9326 -38.9326 -15.9406 -15.9406 -15.8783 -15.8783 -12.9975 -12.9975 -12.9246 -12.9246 -12.8637 -12.8637 -2.1565 -2.1565 3.4486 3.4486 6.3158 6.3158 10.4582 10.4582 12.5566 12.5566 14.7436 14.7436 16.5191 16.5191 k = 0.0000 0.5000 0.2139 ( 5754 PWs) bands (ev): -38.9326 -38.9326 -15.9406 -15.9406 -15.8781 -15.8781 -12.9974 -12.9974 -12.9248 -12.9248 -12.8632 -12.8632 -2.1388 -2.1388 3.4615 3.4615 6.2022 6.2022 10.3636 10.3636 12.5877 12.5877 14.9458 14.9458 16.6149 16.6149 k = 0.0000 0.5000 0.2246 ( 5742 PWs) bands (ev): -38.9326 -38.9326 -15.9406 -15.9406 -15.8780 -15.8780 -12.9973 -12.9973 -12.9250 -12.9250 -12.8628 -12.8628 -2.1210 -2.1210 3.4741 3.4741 6.0938 6.0938 10.2731 10.2731 12.6169 12.6169 15.1457 15.1457 16.6964 16.6964 k = 0.0000 0.5000 0.2353 ( 5746 PWs) bands (ev): -38.9326 -38.9326 -15.9406 -15.9406 -15.8779 -15.8779 -12.9973 -12.9973 -12.9252 -12.9252 -12.8624 -12.8624 -2.1033 -2.1033 3.4864 3.4864 5.9910 5.9910 10.1870 10.1870 12.6443 12.6443 15.3416 15.3416 16.7648 16.7648 k = 0.0000 0.5000 0.2460 ( 5736 PWs) bands (ev): -38.9326 -38.9326 -15.9406 -15.9406 -15.8778 -15.8778 -12.9972 -12.9972 -12.9254 -12.9254 -12.8619 -12.8619 -2.0859 -2.0859 3.4982 3.4982 5.8938 5.8938 10.1053 10.1053 12.6702 12.6702 15.5320 15.5320 16.8220 16.8220 k = 0.0000 0.5000 0.2567 ( 5734 PWs) bands (ev): -38.9326 -38.9326 -15.9406 -15.9406 -15.8776 -15.8776 -12.9971 -12.9971 -12.9256 -12.9256 -12.8615 -12.8615 -2.0689 -2.0689 3.5094 3.5094 5.8027 5.8027 10.0284 10.0284 12.6946 12.6946 15.7152 15.7152 16.8703 16.8703 k = 0.0000 0.5000 0.2673 ( 5734 PWs) bands (ev): -38.9326 -38.9326 -15.9406 -15.9406 -15.8775 -15.8775 -12.9970 -12.9970 -12.9258 -12.9258 -12.8611 -12.8611 -2.0524 -2.0524 3.5200 3.5200 5.7178 5.7178 9.9564 9.9564 12.7175 12.7175 15.8897 15.8897 16.9122 16.9122 k = 0.0000 0.5000 0.2780 ( 5730 PWs) bands (ev): -38.9326 -38.9326 -15.9406 -15.9406 -15.8774 -15.8774 -12.9969 -12.9969 -12.9259 -12.9259 -12.8608 -12.8608 -2.0365 -2.0365 3.5297 3.5297 5.6392 5.6392 9.8894 9.8894 12.7390 12.7390 16.0535 16.0535 16.9503 16.9503 k = 0.0000 0.5000 0.2887 ( 5730 PWs) bands (ev): -38.9326 -38.9326 -15.9406 -15.9406 -15.8773 -15.8773 -12.9969 -12.9969 -12.9261 -12.9261 -12.8604 -12.8604 -2.0215 -2.0215 3.5387 3.5387 5.5672 5.5672 9.8276 9.8276 12.7589 12.7589 16.2047 16.2047 16.9871 16.9871 k = 0.0000 0.5000 0.2994 ( 5734 PWs) bands (ev): -38.9326 -38.9326 -15.9406 -15.9406 -15.8772 -15.8772 -12.9968 -12.9968 -12.9263 -12.9263 -12.8601 -12.8601 -2.0074 -2.0074 3.5467 3.5467 5.5018 5.5018 9.7712 9.7712 12.7772 12.7772 16.3409 16.3409 17.0256 17.0256 k = 0.0000 0.5000 0.3101 ( 5746 PWs) bands (ev): -38.9326 -38.9326 -15.9406 -15.9406 -15.8771 -15.8771 -12.9968 -12.9968 -12.9264 -12.9264 -12.8598 -12.8598 -1.9944 -1.9944 3.5539 3.5539 5.4432 5.4432 9.7203 9.7203 12.7939 12.7939 16.4594 16.4594 17.0686 17.0686 k = 0.0000 0.5000 0.3208 ( 5748 PWs) bands (ev): -38.9326 -38.9326 -15.9406 -15.9406 -15.8771 -15.8771 -12.9967 -12.9967 -12.9265 -12.9265 -12.8595 -12.8595 -1.9825 -1.9825 3.5601 3.5601 5.3915 5.3915 9.6750 9.6750 12.8089 12.8089 16.5578 16.5578 17.1188 17.1188 k = 0.0000 0.5000 0.3315 ( 5744 PWs) bands (ev): -38.9326 -38.9326 -15.9406 -15.9406 -15.8770 -15.8770 -12.9967 -12.9967 -12.9267 -12.9267 -12.8593 -12.8593 -1.9720 -1.9720 3.5654 3.5654 5.3466 5.3466 9.6355 9.6355 12.8220 12.8220 16.6349 16.6349 17.1771 17.1771 k = 0.0000 0.5000 0.3422 ( 5740 PWs) bands (ev): -38.9326 -38.9326 -15.9406 -15.9406 -15.8769 -15.8769 -12.9966 -12.9966 -12.9267 -12.9267 -12.8591 -12.8591 -1.9629 -1.9629 3.5698 3.5698 5.3087 5.3087 9.6019 9.6019 12.8333 12.8333 16.6920 16.6920 17.2414 17.2414 k = 0.0000 0.5000 0.3529 ( 5740 PWs) bands (ev): -38.9326 -38.9326 -15.9406 -15.9406 -15.8769 -15.8769 -12.9966 -12.9966 -12.9268 -12.9268 -12.8589 -12.8589 -1.9554 -1.9554 3.5733 3.5733 5.2776 5.2776 9.5743 9.5743 12.8426 12.8426 16.7323 16.7323 17.3073 17.3073 k = 0.0000 0.5000 0.3636 ( 5736 PWs) bands (ev): -38.9325 -38.9325 -15.9406 -15.9406 -15.8768 -15.8768 -12.9966 -12.9966 -12.9269 -12.9269 -12.8588 -12.8588 -1.9494 -1.9494 3.5760 3.5760 5.2535 5.2535 9.5527 9.5527 12.8499 12.8499 16.7595 16.7595 17.3687 17.3687 k = 0.0000 0.5000 0.3743 ( 5748 PWs) bands (ev): -38.9326 -38.9326 -15.9406 -15.9406 -15.8768 -15.8768 -12.9965 -12.9965 -12.9269 -12.9269 -12.8587 -12.8587 -1.9451 -1.9451 3.5778 3.5778 5.2363 5.2363 9.5372 9.5372 12.8552 12.8552 16.7768 16.7768 17.4190 17.4190 k = 0.0000 0.5000 0.3850 ( 5756 PWs) bands (ev): -38.9326 -38.9326 -15.9406 -15.9406 -15.8768 -15.8768 -12.9965 -12.9965 -12.9270 -12.9270 -12.8586 -12.8586 -1.9425 -1.9425 3.5790 3.5790 5.2260 5.2260 9.5279 9.5279 12.8584 12.8584 16.7864 16.7864 17.4343 17.4343 k = 0.0000 0.5000 0.3957 ( 5748 PWs) bands (ev): -38.9326 -38.9326 -15.9406 -15.9406 -15.8768 -15.8768 -12.9965 -12.9965 -12.9270 -12.9270 -12.8586 -12.8586 -1.9416 -1.9416 3.5793 3.5793 5.2226 5.2226 9.5248 9.5248 12.8594 12.8594 16.7895 16.7895 17.4367 17.4367 k = 0.5000 0.5000-0.0000 ( 5756 PWs) bands (ev): -38.9308 -38.9308 -15.9093 -15.9093 -15.8827 -15.8827 -12.9889 -12.9889 -12.8783 -12.8783 -12.8608 -12.8608 -0.6577 -0.6577 4.2458 4.2458 5.4717 5.4717 10.3286 10.3286 10.4986 10.4986 13.7936 13.7936 14.1277 14.1277 k = 0.5000 0.5000 0.0107 ( 5756 PWs) bands (ev): -38.9308 -38.9308 -15.9093 -15.9093 -15.8827 -15.8827 -12.9889 -12.9889 -12.8783 -12.8783 -12.8608 -12.8608 -0.6572 -0.6572 4.2467 4.2467 5.4730 5.4730 10.3286 10.3286 10.4901 10.4901 13.7777 13.7777 14.1104 14.1104 k = 0.5000 0.5000 0.0214 ( 5756 PWs) bands (ev): -38.9308 -38.9308 -15.9093 -15.9093 -15.8826 -15.8826 -12.9889 -12.9889 -12.8783 -12.8783 -12.8608 -12.8608 -0.6555 -0.6555 4.2493 4.2493 5.4767 5.4767 10.3285 10.3285 10.4647 10.4647 13.7313 13.7313 14.0601 14.0601 k = 0.5000 0.5000 0.0321 ( 5760 PWs) bands (ev): -38.9308 -38.9308 -15.9093 -15.9093 -15.8826 -15.8826 -12.9889 -12.9889 -12.8782 -12.8782 -12.8608 -12.8608 -0.6527 -0.6527 4.2537 4.2537 5.4830 5.4830 10.3283 10.3283 10.4233 10.4233 13.6581 13.6581 13.9811 13.9811 k = 0.5000 0.5000 0.0428 ( 5744 PWs) bands (ev): -38.9308 -38.9308 -15.9093 -15.9093 -15.8826 -15.8826 -12.9890 -12.9890 -12.8780 -12.8780 -12.8608 -12.8608 -0.6489 -0.6489 4.2597 4.2597 5.4916 5.4916 10.3280 10.3280 10.3671 10.3671 13.5629 13.5629 13.8789 13.8789 k = 0.5000 0.5000 0.0535 ( 5728 PWs) bands (ev): -38.9307 -38.9307 -15.9093 -15.9093 -15.8825 -15.8825 -12.9891 -12.9891 -12.8778 -12.8778 -12.8609 -12.8609 -0.6439 -0.6439 4.2675 4.2675 5.5028 5.5028 10.2979 10.2979 10.3276 10.3276 13.4506 13.4506 13.7590 13.7590 k = 0.5000 0.5000 0.0642 ( 5736 PWs) bands (ev): -38.9308 -38.9308 -15.9094 -15.9094 -15.8825 -15.8825 -12.9891 -12.9891 -12.8776 -12.8776 -12.8609 -12.8609 -0.6380 -0.6380 4.2769 4.2769 5.5163 5.5163 10.2172 10.2172 10.3272 10.3272 13.3254 13.3254 13.6261 13.6261 k = 0.5000 0.5000 0.0749 ( 5736 PWs) bands (ev): -38.9308 -38.9308 -15.9094 -15.9094 -15.8824 -15.8824 -12.9893 -12.9893 -12.8774 -12.8774 -12.8610 -12.8610 -0.6310 -0.6310 4.2879 4.2879 5.5322 5.5322 10.1270 10.1270 10.3267 10.3267 13.1911 13.1911 13.4841 13.4841 k = 0.5000 0.5000 0.0856 ( 5736 PWs) bands (ev): -38.9307 -38.9307 -15.9094 -15.9094 -15.8824 -15.8824 -12.9894 -12.9894 -12.8771 -12.8771 -12.8610 -12.8610 -0.6230 -0.6230 4.3004 4.3004 5.5505 5.5505 10.0291 10.0291 10.3261 10.3261 13.0505 13.0505 13.3358 13.3358 k = 0.5000 0.5000 0.0962 ( 5744 PWs) bands (ev): -38.9308 -38.9308 -15.9094 -15.9094 -15.8823 -15.8823 -12.9895 -12.9895 -12.8767 -12.8767 -12.8611 -12.8611 -0.6141 -0.6141 4.3144 4.3144 5.5710 5.5710 9.9250 9.9250 10.3255 10.3255 12.9058 12.9058 13.1835 13.1835 k = 0.5000 0.5000 0.1069 ( 5744 PWs) bands (ev): -38.9307 -38.9307 -15.9095 -15.9095 -15.8822 -15.8822 -12.9896 -12.9896 -12.8764 -12.8764 -12.8612 -12.8612 -0.6043 -0.6043 4.3297 4.3297 5.5937 5.5937 9.8164 9.8164 10.3248 10.3248 12.7587 12.7587 13.0288 13.0288 k = 0.5000 0.5000 0.1176 ( 5752 PWs) bands (ev): -38.9307 -38.9307 -15.9095 -15.9095 -15.8821 -15.8821 -12.9898 -12.9898 -12.8760 -12.8760 -12.8613 -12.8613 -0.5937 -0.5937 4.3464 4.3464 5.6186 5.6186 9.7047 9.7047 10.3240 10.3240 12.6106 12.6106 12.8731 12.8731 k = 0.5000 0.5000 0.1283 ( 5752 PWs) bands (ev): -38.9307 -38.9307 -15.9096 -15.9096 -15.8820 -15.8820 -12.9900 -12.9900 -12.8756 -12.8756 -12.8614 -12.8614 -0.5823 -0.5823 4.3644 4.3644 5.6455 5.6455 9.5910 9.5910 10.3232 10.3232 12.4625 12.4625 12.7174 12.7174 k = 0.5000 0.5000 0.1390 ( 5776 PWs) bands (ev): -38.9308 -38.9308 -15.9096 -15.9096 -15.8820 -15.8820 -12.9901 -12.9901 -12.8752 -12.8752 -12.8615 -12.8615 -0.5702 -0.5702 4.3834 4.3834 5.6744 5.6744 9.4765 9.4765 10.3223 10.3223 12.3153 12.3153 12.5625 12.5625 k = 0.5000 0.5000 0.1497 ( 5788 PWs) bands (ev): -38.9308 -38.9308 -15.9096 -15.9096 -15.8819 -15.8819 -12.9903 -12.9903 -12.8748 -12.8748 -12.8616 -12.8616 -0.5574 -0.5574 4.4034 4.4034 5.7052 5.7052 9.3621 9.3621 10.3214 10.3214 12.1697 12.1697 12.4091 12.4091 k = 0.5000 0.5000 0.1604 ( 5796 PWs) bands (ev): -38.9308 -38.9308 -15.9097 -15.9097 -15.8818 -15.8818 -12.9905 -12.9905 -12.8743 -12.8743 -12.8617 -12.8617 -0.5441 -0.5441 4.4243 4.4243 5.7377 5.7377 9.2488 9.2488 10.3205 10.3205 12.0263 12.0263 12.2577 12.2577 k = 0.5000 0.5000 0.1711 ( 5796 PWs) bands (ev): -38.9308 -38.9308 -15.9097 -15.9097 -15.8817 -15.8817 -12.9907 -12.9907 -12.8738 -12.8738 -12.8618 -12.8618 -0.5304 -0.5304 4.4459 4.4459 5.7719 5.7719 9.1371 9.1371 10.3195 10.3195 11.8856 11.8856 12.1088 12.1088 k = 0.5000 0.5000 0.1818 ( 5796 PWs) bands (ev): -38.9308 -38.9308 -15.9098 -15.9098 -15.8816 -15.8816 -12.9909 -12.9909 -12.8733 -12.8733 -12.8619 -12.8619 -0.5162 -0.5162 4.4681 4.4681 5.8075 5.8075 9.0279 9.0279 10.3184 10.3184 11.7481 11.7481 11.9628 11.9628 k = 0.5000 0.5000 0.1925 ( 5796 PWs) bands (ev): -38.9308 -38.9308 -15.9098 -15.9098 -15.8815 -15.8815 -12.9911 -12.9911 -12.8729 -12.8729 -12.8620 -12.8620 -0.5018 -0.5018 4.4908 4.4908 5.8443 5.8443 8.9217 8.9217 10.3174 10.3174 11.6141 11.6141 11.8201 11.8201 k = 0.5000 0.5000 0.2032 ( 5772 PWs) bands (ev): -38.9307 -38.9307 -15.9098 -15.9098 -15.8813 -15.8813 -12.9913 -12.9913 -12.8724 -12.8724 -12.8621 -12.8621 -0.4871 -0.4871 4.5137 4.5137 5.8823 5.8823 8.8189 8.8189 10.3163 10.3163 11.4841 11.4841 11.6811 11.6811 k = 0.5000 0.5000 0.2139 ( 5772 PWs) bands (ev): -38.9307 -38.9307 -15.9099 -15.9099 -15.8812 -15.8812 -12.9915 -12.9915 -12.8719 -12.8719 -12.8622 -12.8622 -0.4724 -0.4724 4.5368 4.5368 5.9212 5.9212 8.7201 8.7201 10.3152 10.3152 11.3583 11.3583 11.5462 11.5462 k = 0.5000 0.5000 0.2246 ( 5756 PWs) bands (ev): -38.9307 -38.9307 -15.9099 -15.9099 -15.8811 -15.8811 -12.9917 -12.9917 -12.8714 -12.8714 -12.8623 -12.8623 -0.4577 -0.4577 4.5597 4.5597 5.9608 5.9608 8.6257 8.6257 10.3140 10.3140 11.2372 11.2372 11.4157 11.4157 k = 0.5000 0.5000 0.2353 ( 5768 PWs) bands (ev): -38.9307 -38.9307 -15.9100 -15.9100 -15.8810 -15.8810 -12.9919 -12.9919 -12.8709 -12.8709 -12.8624 -12.8624 -0.4431 -0.4431 4.5825 4.5825 6.0008 6.0008 8.5359 8.5359 10.3128 10.3128 11.1211 11.1211 11.2900 11.2900 k = 0.5000 0.5000 0.2460 ( 5752 PWs) bands (ev): -38.9307 -38.9307 -15.9100 -15.9100 -15.8809 -15.8809 -12.9921 -12.9921 -12.8704 -12.8704 -12.8625 -12.8625 -0.4287 -0.4287 4.6047 4.6047 6.0410 6.0410 8.4512 8.4512 10.3116 10.3116 11.0102 11.0102 11.1695 11.1695 k = 0.5000 0.5000 0.2567 ( 5760 PWs) bands (ev): -38.9307 -38.9307 -15.9101 -15.9101 -15.8808 -15.8808 -12.9922 -12.9922 -12.8700 -12.8700 -12.8626 -12.8626 -0.4147 -0.4147 4.6264 4.6264 6.0809 6.0809 8.3718 8.3718 10.3103 10.3103 10.9050 10.9050 11.0545 11.0545 k = 0.5000 0.5000 0.2673 ( 5768 PWs) bands (ev): -38.9307 -38.9307 -15.9101 -15.9101 -15.8807 -15.8807 -12.9924 -12.9924 -12.8696 -12.8696 -12.8627 -12.8627 -0.4012 -0.4012 4.6473 4.6473 6.1204 6.1204 8.2978 8.2978 10.3089 10.3089 10.8057 10.8057 10.9456 10.9456 k = 0.5000 0.5000 0.2780 ( 5768 PWs) bands (ev): -38.9307 -38.9307 -15.9101 -15.9101 -15.8806 -15.8806 -12.9926 -12.9926 -12.8692 -12.8692 -12.8628 -12.8628 -0.3882 -0.3882 4.6672 4.6672 6.1590 6.1590 8.2295 8.2295 10.3075 10.3075 10.7128 10.7128 10.8432 10.8432 k = 0.5000 0.5000 0.2887 ( 5768 PWs) bands (ev): -38.9307 -38.9307 -15.9102 -15.9102 -15.8806 -15.8806 -12.9928 -12.9928 -12.8688 -12.8688 -12.8629 -12.8629 -0.3759 -0.3759 4.6859 4.6859 6.1963 6.1963 8.1671 8.1671 10.3058 10.3058 10.6264 10.6264 10.7477 10.7477 k = 0.5000 0.5000 0.2994 ( 5768 PWs) bands (ev): -38.9307 -38.9307 -15.9102 -15.9102 -15.8805 -15.8805 -12.9929 -12.9929 -12.8684 -12.8684 -12.8629 -12.8629 -0.3644 -0.3644 4.7034 4.7034 6.2320 6.2320 8.1105 8.1105 10.3037 10.3037 10.5470 10.5470 10.6598 10.6598 k = 0.5000 0.5000 0.3101 ( 5748 PWs) bands (ev): -38.9307 -38.9307 -15.9102 -15.9102 -15.8804 -15.8804 -12.9930 -12.9930 -12.8681 -12.8681 -12.8630 -12.8630 -0.3538 -0.3538 4.7194 4.7194 6.2656 6.2656 8.0600 8.0600 10.3012 10.3012 10.4749 10.4749 10.5802 10.5802 k = 0.5000 0.5000 0.3208 ( 5748 PWs) bands (ev): -38.9307 -38.9307 -15.9102 -15.9102 -15.8803 -15.8803 -12.9931 -12.9931 -12.8678 -12.8678 -12.8631 -12.8631 -0.3442 -0.3442 4.7338 4.7338 6.2966 6.2966 8.0155 8.0155 10.2976 10.2976 10.4103 10.4103 10.5098 10.5098 k = 0.5000 0.5000 0.3315 ( 5780 PWs) bands (ev): -38.9307 -38.9307 -15.9103 -15.9103 -15.8803 -15.8803 -12.9933 -12.9933 -12.8676 -12.8676 -12.8631 -12.8631 -0.3356 -0.3356 4.7465 4.7465 6.3246 6.3246 7.9770 7.9770 10.2922 10.2922 10.3536 10.3536 10.4498 10.4498 k = 0.5000 0.5000 0.3422 ( 5780 PWs) bands (ev): -38.9307 -38.9307 -15.9103 -15.9103 -15.8803 -15.8803 -12.9933 -12.9933 -12.8673 -12.8673 -12.8632 -12.8632 -0.3283 -0.3283 4.7574 4.7574 6.3493 6.3493 7.9445 7.9445 10.2836 10.2836 10.3052 10.3052 10.4023 10.4023 k = 0.5000 0.5000 0.3529 ( 5788 PWs) bands (ev): -38.9307 -38.9307 -15.9103 -15.9103 -15.8802 -15.8802 -12.9934 -12.9934 -12.8672 -12.8672 -12.8632 -12.8632 -0.3222 -0.3222 4.7665 4.7665 6.3700 6.3700 7.9180 7.9180 10.2651 10.2651 10.2700 10.2700 10.3692 10.3692 k = 0.5000 0.5000 0.3636 ( 5780 PWs) bands (ev): -38.9307 -38.9307 -15.9103 -15.9103 -15.8802 -15.8802 -12.9935 -12.9935 -12.8670 -12.8670 -12.8633 -12.8633 -0.3173 -0.3173 4.7736 4.7736 6.3866 6.3866 7.8974 7.8974 10.2337 10.2337 10.2526 10.2526 10.3498 10.3498 k = 0.5000 0.5000 0.3743 ( 5788 PWs) bands (ev): -38.9307 -38.9307 -15.9103 -15.9103 -15.8802 -15.8802 -12.9935 -12.9935 -12.8669 -12.8669 -12.8633 -12.8633 -0.3138 -0.3138 4.7787 4.7787 6.3987 6.3987 7.8828 7.8828 10.2112 10.2112 10.2360 10.2360 10.3399 10.3399 k = 0.5000 0.5000 0.3850 ( 5796 PWs) bands (ev): -38.9307 -38.9307 -15.9103 -15.9103 -15.8802 -15.8802 -12.9936 -12.9936 -12.8668 -12.8668 -12.8633 -12.8633 -0.3117 -0.3117 4.7818 4.7818 6.4061 6.4061 7.8740 7.8740 10.1976 10.1976 10.2246 10.2246 10.3354 10.3354 k = 0.5000 0.5000 0.3957 ( 5800 PWs) bands (ev): -38.9307 -38.9307 -15.9104 -15.9104 -15.8802 -15.8802 -12.9936 -12.9936 -12.8668 -12.8668 -12.8633 -12.8633 -0.3110 -0.3110 4.7828 4.7828 6.4085 6.4085 7.8711 7.8711 10.1930 10.1930 10.2206 10.2206 10.3340 10.3340 Writing output data file LiBi.save init_run : 0.28s CPU 0.40s WALL ( 1 calls) electrons : 79.56s CPU 81.07s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 79.55s CPU 81.06s 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 : 0.03s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.06s WALL ( 440 calls) cegterg : 71.86s CPU 72.85s WALL ( 491 calls) Called by sum_band: Called by *egterg: h_psi : 50.30s CPU 50.91s WALL ( 7957 calls) s_psi : 0.92s CPU 1.03s WALL ( 7957 calls) g_psi : 0.18s CPU 0.17s WALL ( 7026 calls) cdiaghg : 19.44s CPU 19.98s WALL ( 7466 calls) cegterg:over : 2.46s CPU 2.41s WALL ( 7026 calls) cegterg:upda : 2.10s CPU 2.16s WALL ( 7026 calls) cegterg:last : 1.18s CPU 1.26s WALL ( 1371 calls) cdiaghg:chol : 1.22s CPU 1.10s WALL ( 7466 calls) cdiaghg:inve : 0.33s CPU 0.34s WALL ( 7466 calls) cdiaghg:para : 1.27s CPU 1.32s WALL ( 14932 calls) Called by h_psi: h_psi:vloc : 47.91s CPU 48.40s WALL ( 7957 calls) h_psi:vnl : 2.32s CPU 2.40s WALL ( 7957 calls) add_vuspsi : 1.14s CPU 1.19s WALL ( 7957 calls) General routines calbec : 1.17s CPU 1.20s WALL ( 7957 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 45.64s CPU 46.00s WALL ( 440280 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.26s WALL ( 880 calls) Parallel routines fft_scatter : 14.60s CPU 14.91s WALL ( 440303 calls) PWSCF : 1m33.60s CPU 1m46.88s WALL This run was terminated on: 14:28:43 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=