Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:28:52 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: ./CsNaS.save/ 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 59 58 16 3369 3294 490 Max 60 59 17 3374 3315 497 Sum 2145 2093 593 121341 118985 17765 bravais-lattice index = 14 lattice parameter (alat) = 9.1104 a.u. unit-cell volume = 1232.1746 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.110369 celldm(2)= 1.000000 celldm(3)= 1.629537 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 1.629537 ) 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 0.613671 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 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 PseudoPot. # 2 for Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Cs read from file: /users/gautes/Pseudo/Cs.rel-pbe-oncvpsp.UPF MD5 check sum: b26d75608c6aa7e713949ad9f7a49707 Pseudo is Norm-conserving, Zval = 9.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 2414 points, 14 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 l(11) = 3 l(12) = 3 l(13) = 3 l(14) = 3 atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Na 9.00 22.98980 Na( 1.00) Cs 9.00 132.90550 Cs( 1.00) 16 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) 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 ) f =( 0.5000000 ) ( -1 0 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( 0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) 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 ) f =( 0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) 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 ) f =( 0.5000000 ) ( 1 0 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) f =( 0.5000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(15) = ( 0.0000000 -1.0000000 0.0000000 ) f =( 0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) f =( -0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) 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= 295 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 2) = ( 0.0000000 0.0151515 -0.0000000), wk = 0.0033898 k( 3) = ( 0.0000000 0.0303030 -0.0000000), wk = 0.0033898 k( 4) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0033898 k( 5) = ( 0.0000000 0.0606061 -0.0000000), wk = 0.0033898 k( 6) = ( 0.0000000 0.0757576 -0.0000000), wk = 0.0033898 k( 7) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0033898 k( 8) = ( 0.0000000 0.1060606 -0.0000000), wk = 0.0033898 k( 9) = ( 0.0000000 0.1212121 -0.0000000), wk = 0.0033898 k( 10) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0033898 k( 11) = ( 0.0000000 0.1515151 -0.0000000), wk = 0.0033898 k( 12) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0033898 k( 13) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0033898 k( 14) = ( 0.0000000 0.1969697 -0.0000000), wk = 0.0033898 k( 15) = ( 0.0000000 0.2121212 -0.0000000), wk = 0.0033898 k( 16) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0033898 k( 17) = ( 0.0000000 0.2424242 -0.0000000), wk = 0.0033898 k( 18) = ( 0.0000000 0.2575758 -0.0000000), wk = 0.0033898 k( 19) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0033898 k( 20) = ( 0.0000000 0.2878788 -0.0000000), wk = 0.0033898 k( 21) = ( 0.0000000 0.3030303 -0.0000000), wk = 0.0033898 k( 22) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0033898 k( 23) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0033898 k( 24) = ( 0.0000000 0.3484849 -0.0000000), wk = 0.0033898 k( 25) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0033898 k( 26) = ( 0.0000000 0.3787879 -0.0000000), wk = 0.0033898 k( 27) = ( 0.0000000 0.3939394 -0.0000000), wk = 0.0033898 k( 28) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0033898 k( 29) = ( 0.0000000 0.4242424 -0.0000000), wk = 0.0033898 k( 30) = ( 0.0000000 0.4393939 -0.0000000), wk = 0.0033898 k( 31) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0033898 k( 32) = ( 0.0000000 0.4696970 -0.0000000), wk = 0.0033898 k( 33) = ( 0.0000000 0.4848485 -0.0000000), wk = 0.0033898 k( 34) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033898 k( 35) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033898 k( 36) = ( 0.0151515 0.5000000 -0.0000000), wk = 0.0033898 k( 37) = ( 0.0303030 0.5000000 -0.0000000), wk = 0.0033898 k( 38) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0033898 k( 39) = ( 0.0606061 0.5000000 -0.0000000), wk = 0.0033898 k( 40) = ( 0.0757576 0.5000000 -0.0000000), wk = 0.0033898 k( 41) = ( 0.0909091 0.5000000 -0.0000000), wk = 0.0033898 k( 42) = ( 0.1060606 0.5000000 -0.0000000), wk = 0.0033898 k( 43) = ( 0.1212121 0.5000000 -0.0000000), wk = 0.0033898 k( 44) = ( 0.1363636 0.5000000 -0.0000000), wk = 0.0033898 k( 45) = ( 0.1515151 0.5000000 -0.0000000), wk = 0.0033898 k( 46) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0033898 k( 47) = ( 0.1818182 0.5000000 -0.0000000), wk = 0.0033898 k( 48) = ( 0.1969697 0.5000000 -0.0000000), wk = 0.0033898 k( 49) = ( 0.2121212 0.5000000 -0.0000000), wk = 0.0033898 k( 50) = ( 0.2272727 0.5000000 -0.0000000), wk = 0.0033898 k( 51) = ( 0.2424242 0.5000000 -0.0000000), wk = 0.0033898 k( 52) = ( 0.2575758 0.5000000 -0.0000000), wk = 0.0033898 k( 53) = ( 0.2727273 0.5000000 -0.0000000), wk = 0.0033898 k( 54) = ( 0.2878788 0.5000000 -0.0000000), wk = 0.0033898 k( 55) = ( 0.3030303 0.5000000 -0.0000000), wk = 0.0033898 k( 56) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0033898 k( 57) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0033898 k( 58) = ( 0.3484849 0.5000000 -0.0000000), wk = 0.0033898 k( 59) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0033898 k( 60) = ( 0.3787879 0.5000000 -0.0000000), wk = 0.0033898 k( 61) = ( 0.3939394 0.5000000 -0.0000000), wk = 0.0033898 k( 62) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0033898 k( 63) = ( 0.4242424 0.5000000 -0.0000000), wk = 0.0033898 k( 64) = ( 0.4393939 0.5000000 -0.0000000), wk = 0.0033898 k( 65) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0033898 k( 66) = ( 0.4696970 0.5000000 -0.0000000), wk = 0.0033898 k( 67) = ( 0.4848485 0.5000000 -0.0000000), wk = 0.0033898 k( 68) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033898 k( 69) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033898 k( 70) = ( 0.4893617 0.4893617 -0.0000000), wk = 0.0033898 k( 71) = ( 0.4787234 0.4787234 -0.0000000), wk = 0.0033898 k( 72) = ( 0.4680851 0.4680851 -0.0000000), wk = 0.0033898 k( 73) = ( 0.4574468 0.4574468 -0.0000000), wk = 0.0033898 k( 74) = ( 0.4468085 0.4468085 -0.0000000), wk = 0.0033898 k( 75) = ( 0.4361702 0.4361702 -0.0000000), wk = 0.0033898 k( 76) = ( 0.4255319 0.4255319 -0.0000000), wk = 0.0033898 k( 77) = ( 0.4148936 0.4148936 -0.0000000), wk = 0.0033898 k( 78) = ( 0.4042553 0.4042553 -0.0000000), wk = 0.0033898 k( 79) = ( 0.3936170 0.3936170 -0.0000000), wk = 0.0033898 k( 80) = ( 0.3829787 0.3829787 -0.0000000), wk = 0.0033898 k( 81) = ( 0.3723404 0.3723404 -0.0000000), wk = 0.0033898 k( 82) = ( 0.3617021 0.3617021 -0.0000000), wk = 0.0033898 k( 83) = ( 0.3510638 0.3510638 -0.0000000), wk = 0.0033898 k( 84) = ( 0.3404255 0.3404255 -0.0000000), wk = 0.0033898 k( 85) = ( 0.3297872 0.3297872 -0.0000000), wk = 0.0033898 k( 86) = ( 0.3191489 0.3191489 -0.0000000), wk = 0.0033898 k( 87) = ( 0.3085106 0.3085106 -0.0000000), wk = 0.0033898 k( 88) = ( 0.2978723 0.2978723 -0.0000000), wk = 0.0033898 k( 89) = ( 0.2872340 0.2872340 -0.0000000), wk = 0.0033898 k( 90) = ( 0.2765957 0.2765957 -0.0000000), wk = 0.0033898 k( 91) = ( 0.2659574 0.2659574 -0.0000000), wk = 0.0033898 k( 92) = ( 0.2553191 0.2553191 -0.0000000), wk = 0.0033898 k( 93) = ( 0.2446809 0.2446808 -0.0000000), wk = 0.0033898 k( 94) = ( 0.2340425 0.2340425 -0.0000000), wk = 0.0033898 k( 95) = ( 0.2234043 0.2234043 -0.0000000), wk = 0.0033898 k( 96) = ( 0.2127660 0.2127660 -0.0000000), wk = 0.0033898 k( 97) = ( 0.2021277 0.2021277 -0.0000000), wk = 0.0033898 k( 98) = ( 0.1914894 0.1914894 -0.0000000), wk = 0.0033898 k( 99) = ( 0.1808511 0.1808511 -0.0000000), wk = 0.0033898 k( 100) = ( 0.1702128 0.1702128 -0.0000000), wk = 0.0033898 k( 101) = ( 0.1595745 0.1595745 -0.0000000), wk = 0.0033898 k( 102) = ( 0.1489362 0.1489362 -0.0000000), wk = 0.0033898 k( 103) = ( 0.1382979 0.1382979 -0.0000000), wk = 0.0033898 k( 104) = ( 0.1276596 0.1276596 -0.0000000), wk = 0.0033898 k( 105) = ( 0.1170213 0.1170213 -0.0000000), wk = 0.0033898 k( 106) = ( 0.1063830 0.1063830 -0.0000000), wk = 0.0033898 k( 107) = ( 0.0957447 0.0957447 -0.0000000), wk = 0.0033898 k( 108) = ( 0.0851064 0.0851064 -0.0000000), wk = 0.0033898 k( 109) = ( 0.0744681 0.0744681 -0.0000000), wk = 0.0033898 k( 110) = ( 0.0638298 0.0638298 -0.0000000), wk = 0.0033898 k( 111) = ( 0.0531915 0.0531915 -0.0000000), wk = 0.0033898 k( 112) = ( 0.0425532 0.0425532 -0.0000000), wk = 0.0033898 k( 113) = ( 0.0319149 0.0319149 -0.0000000), wk = 0.0033898 k( 114) = ( 0.0212766 0.0212766 -0.0000000), wk = 0.0033898 k( 115) = ( 0.0106383 0.0106383 -0.0000000), wk = 0.0033898 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 118) = ( 0.0000000 0.0000000 0.0153418), wk = 0.0033898 k( 119) = ( 0.0000000 0.0000000 0.0306836), wk = 0.0033898 k( 120) = ( 0.0000000 0.0000000 0.0460253), wk = 0.0033898 k( 121) = ( 0.0000000 0.0000000 0.0613671), wk = 0.0033898 k( 122) = ( 0.0000000 0.0000000 0.0767089), wk = 0.0033898 k( 123) = ( 0.0000000 0.0000000 0.0920507), wk = 0.0033898 k( 124) = ( 0.0000000 0.0000000 0.1073924), wk = 0.0033898 k( 125) = ( 0.0000000 0.0000000 0.1227342), wk = 0.0033898 k( 126) = ( 0.0000000 0.0000000 0.1380760), wk = 0.0033898 k( 127) = ( 0.0000000 0.0000000 0.1534178), wk = 0.0033898 k( 128) = ( 0.0000000 0.0000000 0.1687595), wk = 0.0033898 k( 129) = ( 0.0000000 0.0000000 0.1841013), wk = 0.0033898 k( 130) = ( 0.0000000 0.0000000 0.1994431), wk = 0.0033898 k( 131) = ( 0.0000000 0.0000000 0.2147849), wk = 0.0033898 k( 132) = ( 0.0000000 0.0000000 0.2301267), wk = 0.0033898 k( 133) = ( 0.0000000 0.0000000 0.2454684), wk = 0.0033898 k( 134) = ( 0.0000000 0.0000000 0.2608102), wk = 0.0033898 k( 135) = ( 0.0000000 0.0000000 0.2761520), wk = 0.0033898 k( 136) = ( 0.0000000 0.0000000 0.2914938), wk = 0.0033898 k( 137) = ( 0.0000000 0.0000000 0.3068355), wk = 0.0033898 k( 138) = ( 0.0000000 0.0000000 0.3068355), wk = 0.0033898 k( 139) = ( 0.0000000 0.0151515 0.3068355), wk = 0.0033898 k( 140) = ( 0.0000000 0.0303030 0.3068355), wk = 0.0033898 k( 141) = ( 0.0000000 0.0454546 0.3068355), wk = 0.0033898 k( 142) = ( 0.0000000 0.0606061 0.3068355), wk = 0.0033898 k( 143) = ( 0.0000000 0.0757576 0.3068355), wk = 0.0033898 k( 144) = ( 0.0000000 0.0909091 0.3068355), wk = 0.0033898 k( 145) = ( 0.0000000 0.1060606 0.3068355), wk = 0.0033898 k( 146) = ( 0.0000000 0.1212121 0.3068355), wk = 0.0033898 k( 147) = ( 0.0000000 0.1363636 0.3068355), wk = 0.0033898 k( 148) = ( 0.0000000 0.1515151 0.3068355), wk = 0.0033898 k( 149) = ( 0.0000000 0.1666667 0.3068355), wk = 0.0033898 k( 150) = ( 0.0000000 0.1818182 0.3068355), wk = 0.0033898 k( 151) = ( 0.0000000 0.1969697 0.3068355), wk = 0.0033898 k( 152) = ( 0.0000000 0.2121212 0.3068355), wk = 0.0033898 k( 153) = ( 0.0000000 0.2272727 0.3068355), wk = 0.0033898 k( 154) = ( 0.0000000 0.2424242 0.3068355), wk = 0.0033898 k( 155) = ( 0.0000000 0.2575758 0.3068355), wk = 0.0033898 k( 156) = ( 0.0000000 0.2727273 0.3068355), wk = 0.0033898 k( 157) = ( 0.0000000 0.2878788 0.3068355), wk = 0.0033898 k( 158) = ( 0.0000000 0.3030303 0.3068355), wk = 0.0033898 k( 159) = ( 0.0000000 0.3181818 0.3068355), wk = 0.0033898 k( 160) = ( 0.0000000 0.3333333 0.3068355), wk = 0.0033898 k( 161) = ( 0.0000000 0.3484849 0.3068355), wk = 0.0033898 k( 162) = ( 0.0000000 0.3636364 0.3068355), wk = 0.0033898 k( 163) = ( 0.0000000 0.3787879 0.3068355), wk = 0.0033898 k( 164) = ( 0.0000000 0.3939394 0.3068355), wk = 0.0033898 k( 165) = ( 0.0000000 0.4090909 0.3068355), wk = 0.0033898 k( 166) = ( 0.0000000 0.4242424 0.3068355), wk = 0.0033898 k( 167) = ( 0.0000000 0.4393939 0.3068355), wk = 0.0033898 k( 168) = ( 0.0000000 0.4545455 0.3068355), wk = 0.0033898 k( 169) = ( 0.0000000 0.4696970 0.3068355), wk = 0.0033898 k( 170) = ( 0.0000000 0.4848485 0.3068355), wk = 0.0033898 k( 171) = ( 0.0000000 0.5000000 0.3068355), wk = 0.0033898 k( 172) = ( 0.0000000 0.5000000 0.3068355), wk = 0.0033898 k( 173) = ( 0.0151515 0.5000000 0.3068355), wk = 0.0033898 k( 174) = ( 0.0303030 0.5000000 0.3068355), wk = 0.0033898 k( 175) = ( 0.0454546 0.5000000 0.3068355), wk = 0.0033898 k( 176) = ( 0.0606061 0.5000000 0.3068355), wk = 0.0033898 k( 177) = ( 0.0757576 0.5000000 0.3068355), wk = 0.0033898 k( 178) = ( 0.0909091 0.5000000 0.3068355), wk = 0.0033898 k( 179) = ( 0.1060606 0.5000000 0.3068355), wk = 0.0033898 k( 180) = ( 0.1212121 0.5000000 0.3068355), wk = 0.0033898 k( 181) = ( 0.1363636 0.5000000 0.3068355), wk = 0.0033898 k( 182) = ( 0.1515151 0.5000000 0.3068355), wk = 0.0033898 k( 183) = ( 0.1666667 0.5000000 0.3068355), wk = 0.0033898 k( 184) = ( 0.1818182 0.5000000 0.3068355), wk = 0.0033898 k( 185) = ( 0.1969697 0.5000000 0.3068355), wk = 0.0033898 k( 186) = ( 0.2121212 0.5000000 0.3068355), wk = 0.0033898 k( 187) = ( 0.2272727 0.5000000 0.3068355), wk = 0.0033898 k( 188) = ( 0.2424242 0.5000000 0.3068355), wk = 0.0033898 k( 189) = ( 0.2575758 0.5000000 0.3068355), wk = 0.0033898 k( 190) = ( 0.2727273 0.5000000 0.3068355), wk = 0.0033898 k( 191) = ( 0.2878788 0.5000000 0.3068355), wk = 0.0033898 k( 192) = ( 0.3030303 0.5000000 0.3068355), wk = 0.0033898 k( 193) = ( 0.3181818 0.5000000 0.3068355), wk = 0.0033898 k( 194) = ( 0.3333333 0.5000000 0.3068355), wk = 0.0033898 k( 195) = ( 0.3484849 0.5000000 0.3068355), wk = 0.0033898 k( 196) = ( 0.3636364 0.5000000 0.3068355), wk = 0.0033898 k( 197) = ( 0.3787879 0.5000000 0.3068355), wk = 0.0033898 k( 198) = ( 0.3939394 0.5000000 0.3068355), wk = 0.0033898 k( 199) = ( 0.4090909 0.5000000 0.3068355), wk = 0.0033898 k( 200) = ( 0.4242424 0.5000000 0.3068355), wk = 0.0033898 k( 201) = ( 0.4393939 0.5000000 0.3068355), wk = 0.0033898 k( 202) = ( 0.4545455 0.5000000 0.3068355), wk = 0.0033898 k( 203) = ( 0.4696970 0.5000000 0.3068355), wk = 0.0033898 k( 204) = ( 0.4848485 0.5000000 0.3068355), wk = 0.0033898 k( 205) = ( 0.5000000 0.5000000 0.3068355), wk = 0.0033898 k( 206) = ( 0.5000000 0.5000000 0.3068355), wk = 0.0033898 k( 207) = ( 0.4893617 0.4893617 0.3068355), wk = 0.0033898 k( 208) = ( 0.4787234 0.4787234 0.3068355), wk = 0.0033898 k( 209) = ( 0.4680851 0.4680851 0.3068355), wk = 0.0033898 k( 210) = ( 0.4574468 0.4574468 0.3068355), wk = 0.0033898 k( 211) = ( 0.4468085 0.4468085 0.3068355), wk = 0.0033898 k( 212) = ( 0.4361702 0.4361702 0.3068355), wk = 0.0033898 k( 213) = ( 0.4255319 0.4255319 0.3068355), wk = 0.0033898 k( 214) = ( 0.4148936 0.4148936 0.3068355), wk = 0.0033898 k( 215) = ( 0.4042553 0.4042553 0.3068355), wk = 0.0033898 k( 216) = ( 0.3936170 0.3936170 0.3068355), wk = 0.0033898 k( 217) = ( 0.3829787 0.3829787 0.3068355), wk = 0.0033898 k( 218) = ( 0.3723404 0.3723404 0.3068355), wk = 0.0033898 k( 219) = ( 0.3617021 0.3617021 0.3068355), wk = 0.0033898 k( 220) = ( 0.3510638 0.3510638 0.3068355), wk = 0.0033898 k( 221) = ( 0.3404255 0.3404255 0.3068355), wk = 0.0033898 k( 222) = ( 0.3297872 0.3297872 0.3068355), wk = 0.0033898 k( 223) = ( 0.3191489 0.3191489 0.3068355), wk = 0.0033898 k( 224) = ( 0.3085106 0.3085106 0.3068355), wk = 0.0033898 k( 225) = ( 0.2978723 0.2978723 0.3068355), wk = 0.0033898 k( 226) = ( 0.2872340 0.2872340 0.3068355), wk = 0.0033898 k( 227) = ( 0.2765957 0.2765957 0.3068355), wk = 0.0033898 k( 228) = ( 0.2659574 0.2659574 0.3068355), wk = 0.0033898 k( 229) = ( 0.2553191 0.2553191 0.3068355), wk = 0.0033898 k( 230) = ( 0.2446809 0.2446808 0.3068355), wk = 0.0033898 k( 231) = ( 0.2340425 0.2340425 0.3068355), wk = 0.0033898 k( 232) = ( 0.2234043 0.2234043 0.3068355), wk = 0.0033898 k( 233) = ( 0.2127660 0.2127660 0.3068355), wk = 0.0033898 k( 234) = ( 0.2021277 0.2021277 0.3068355), wk = 0.0033898 k( 235) = ( 0.1914894 0.1914894 0.3068355), wk = 0.0033898 k( 236) = ( 0.1808511 0.1808511 0.3068355), wk = 0.0033898 k( 237) = ( 0.1702128 0.1702128 0.3068355), wk = 0.0033898 k( 238) = ( 0.1595745 0.1595745 0.3068355), wk = 0.0033898 k( 239) = ( 0.1489362 0.1489362 0.3068355), wk = 0.0033898 k( 240) = ( 0.1382979 0.1382979 0.3068355), wk = 0.0033898 k( 241) = ( 0.1276596 0.1276596 0.3068355), wk = 0.0033898 k( 242) = ( 0.1170213 0.1170213 0.3068355), wk = 0.0033898 k( 243) = ( 0.1063830 0.1063830 0.3068355), wk = 0.0033898 k( 244) = ( 0.0957447 0.0957447 0.3068355), wk = 0.0033898 k( 245) = ( 0.0851064 0.0851064 0.3068355), wk = 0.0033898 k( 246) = ( 0.0744681 0.0744681 0.3068355), wk = 0.0033898 k( 247) = ( 0.0638298 0.0638298 0.3068355), wk = 0.0033898 k( 248) = ( 0.0531915 0.0531915 0.3068355), wk = 0.0033898 k( 249) = ( 0.0425532 0.0425532 0.3068355), wk = 0.0033898 k( 250) = ( 0.0319149 0.0319149 0.3068355), wk = 0.0033898 k( 251) = ( 0.0212766 0.0212766 0.3068355), wk = 0.0033898 k( 252) = ( 0.0106383 0.0106383 0.3068355), wk = 0.0033898 k( 253) = ( 0.0000000 0.0000000 0.3068355), wk = 0.0033898 k( 254) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033898 k( 255) = ( 0.0000000 0.5000000 0.0153418), wk = 0.0033898 k( 256) = ( 0.0000000 0.5000000 0.0306836), wk = 0.0033898 k( 257) = ( 0.0000000 0.5000000 0.0460253), wk = 0.0033898 k( 258) = ( 0.0000000 0.5000000 0.0613671), wk = 0.0033898 k( 259) = ( 0.0000000 0.5000000 0.0767089), wk = 0.0033898 k( 260) = ( 0.0000000 0.5000000 0.0920507), wk = 0.0033898 k( 261) = ( 0.0000000 0.5000000 0.1073924), wk = 0.0033898 k( 262) = ( 0.0000000 0.5000000 0.1227342), wk = 0.0033898 k( 263) = ( 0.0000000 0.5000000 0.1380760), wk = 0.0033898 k( 264) = ( 0.0000000 0.5000000 0.1534178), wk = 0.0033898 k( 265) = ( 0.0000000 0.5000000 0.1687595), wk = 0.0033898 k( 266) = ( 0.0000000 0.5000000 0.1841013), wk = 0.0033898 k( 267) = ( 0.0000000 0.5000000 0.1994431), wk = 0.0033898 k( 268) = ( 0.0000000 0.5000000 0.2147849), wk = 0.0033898 k( 269) = ( 0.0000000 0.5000000 0.2301267), wk = 0.0033898 k( 270) = ( 0.0000000 0.5000000 0.2454684), wk = 0.0033898 k( 271) = ( 0.0000000 0.5000000 0.2608102), wk = 0.0033898 k( 272) = ( 0.0000000 0.5000000 0.2761520), wk = 0.0033898 k( 273) = ( 0.0000000 0.5000000 0.2914938), wk = 0.0033898 k( 274) = ( 0.0000000 0.5000000 0.3068355), wk = 0.0033898 k( 275) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033898 k( 276) = ( 0.5000000 0.5000000 0.0153418), wk = 0.0033898 k( 277) = ( 0.5000000 0.5000000 0.0306836), wk = 0.0033898 k( 278) = ( 0.5000000 0.5000000 0.0460253), wk = 0.0033898 k( 279) = ( 0.5000000 0.5000000 0.0613671), wk = 0.0033898 k( 280) = ( 0.5000000 0.5000000 0.0767089), wk = 0.0033898 k( 281) = ( 0.5000000 0.5000000 0.0920507), wk = 0.0033898 k( 282) = ( 0.5000000 0.5000000 0.1073924), wk = 0.0033898 k( 283) = ( 0.5000000 0.5000000 0.1227342), wk = 0.0033898 k( 284) = ( 0.5000000 0.5000000 0.1380760), wk = 0.0033898 k( 285) = ( 0.5000000 0.5000000 0.1534178), wk = 0.0033898 k( 286) = ( 0.5000000 0.5000000 0.1687595), wk = 0.0033898 k( 287) = ( 0.5000000 0.5000000 0.1841013), wk = 0.0033898 k( 288) = ( 0.5000000 0.5000000 0.1994431), wk = 0.0033898 k( 289) = ( 0.5000000 0.5000000 0.2147849), wk = 0.0033898 k( 290) = ( 0.5000000 0.5000000 0.2301267), wk = 0.0033898 k( 291) = ( 0.5000000 0.5000000 0.2454684), wk = 0.0033898 k( 292) = ( 0.5000000 0.5000000 0.2608102), wk = 0.0033898 k( 293) = ( 0.5000000 0.5000000 0.2761520), wk = 0.0033898 k( 294) = ( 0.5000000 0.5000000 0.2914938), wk = 0.0033898 k( 295) = ( 0.5000000 0.5000000 0.3068355), wk = 0.0033898 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 2) = ( 0.0000000 0.0151515 0.0000000), wk = 0.0033898 k( 3) = ( 0.0000000 0.0303030 0.0000000), wk = 0.0033898 k( 4) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0033898 k( 5) = ( 0.0000000 0.0606061 0.0000000), wk = 0.0033898 k( 6) = ( 0.0000000 0.0757576 -0.0000000), wk = 0.0033898 k( 7) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0033898 k( 8) = ( 0.0000000 0.1060606 0.0000000), wk = 0.0033898 k( 9) = ( 0.0000000 0.1212121 0.0000000), wk = 0.0033898 k( 10) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0033898 k( 11) = ( 0.0000000 0.1515151 -0.0000000), wk = 0.0033898 k( 12) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0033898 k( 13) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0033898 k( 14) = ( 0.0000000 0.1969697 -0.0000000), wk = 0.0033898 k( 15) = ( 0.0000000 0.2121212 0.0000000), wk = 0.0033898 k( 16) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0033898 k( 17) = ( 0.0000000 0.2424242 0.0000000), wk = 0.0033898 k( 18) = ( 0.0000000 0.2575758 -0.0000000), wk = 0.0033898 k( 19) = ( 0.0000000 0.2727273 0.0000000), wk = 0.0033898 k( 20) = ( 0.0000000 0.2878788 -0.0000000), wk = 0.0033898 k( 21) = ( 0.0000000 0.3030303 -0.0000000), wk = 0.0033898 k( 22) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0033898 k( 23) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0033898 k( 24) = ( 0.0000000 0.3484849 -0.0000000), wk = 0.0033898 k( 25) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0033898 k( 26) = ( 0.0000000 0.3787879 -0.0000000), wk = 0.0033898 k( 27) = ( 0.0000000 0.3939394 -0.0000000), wk = 0.0033898 k( 28) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0033898 k( 29) = ( 0.0000000 0.4242424 0.0000000), wk = 0.0033898 k( 30) = ( 0.0000000 0.4393939 -0.0000000), wk = 0.0033898 k( 31) = ( 0.0000000 0.4545455 0.0000000), wk = 0.0033898 k( 32) = ( 0.0000000 0.4696970 -0.0000000), wk = 0.0033898 k( 33) = ( 0.0000000 0.4848485 0.0000000), wk = 0.0033898 k( 34) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033898 k( 35) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033898 k( 36) = ( 0.0151515 0.5000000 0.0000000), wk = 0.0033898 k( 37) = ( 0.0303030 0.5000000 -0.0000000), wk = 0.0033898 k( 38) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0033898 k( 39) = ( 0.0606061 0.5000000 -0.0000000), wk = 0.0033898 k( 40) = ( 0.0757576 0.5000000 -0.0000000), wk = 0.0033898 k( 41) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0033898 k( 42) = ( 0.1060606 0.5000000 -0.0000000), wk = 0.0033898 k( 43) = ( 0.1212121 0.5000000 0.0000000), wk = 0.0033898 k( 44) = ( 0.1363636 0.5000000 0.0000000), wk = 0.0033898 k( 45) = ( 0.1515151 0.5000000 0.0000000), wk = 0.0033898 k( 46) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0033898 k( 47) = ( 0.1818182 0.5000000 -0.0000000), wk = 0.0033898 k( 48) = ( 0.1969697 0.5000000 -0.0000000), wk = 0.0033898 k( 49) = ( 0.2121212 0.5000000 -0.0000000), wk = 0.0033898 k( 50) = ( 0.2272727 0.5000000 -0.0000000), wk = 0.0033898 k( 51) = ( 0.2424242 0.5000000 -0.0000000), wk = 0.0033898 k( 52) = ( 0.2575758 0.5000000 0.0000000), wk = 0.0033898 k( 53) = ( 0.2727273 0.5000000 0.0000000), wk = 0.0033898 k( 54) = ( 0.2878788 0.5000000 -0.0000000), wk = 0.0033898 k( 55) = ( 0.3030303 0.5000000 -0.0000000), wk = 0.0033898 k( 56) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0033898 k( 57) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0033898 k( 58) = ( 0.3484849 0.5000000 -0.0000000), wk = 0.0033898 k( 59) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0033898 k( 60) = ( 0.3787879 0.5000000 -0.0000000), wk = 0.0033898 k( 61) = ( 0.3939394 0.5000000 0.0000000), wk = 0.0033898 k( 62) = ( 0.4090909 0.5000000 0.0000000), wk = 0.0033898 k( 63) = ( 0.4242424 0.5000000 0.0000000), wk = 0.0033898 k( 64) = ( 0.4393939 0.5000000 0.0000000), wk = 0.0033898 k( 65) = ( 0.4545455 0.5000000 0.0000000), wk = 0.0033898 k( 66) = ( 0.4696970 0.5000000 0.0000000), wk = 0.0033898 k( 67) = ( 0.4848485 0.5000000 0.0000000), wk = 0.0033898 k( 68) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033898 k( 69) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033898 k( 70) = ( 0.4893617 0.4893617 0.0000000), wk = 0.0033898 k( 71) = ( 0.4787234 0.4787234 0.0000000), wk = 0.0033898 k( 72) = ( 0.4680851 0.4680851 0.0000000), wk = 0.0033898 k( 73) = ( 0.4574468 0.4574468 0.0000000), wk = 0.0033898 k( 74) = ( 0.4468085 0.4468085 0.0000000), wk = 0.0033898 k( 75) = ( 0.4361702 0.4361702 0.0000000), wk = 0.0033898 k( 76) = ( 0.4255319 0.4255319 -0.0000000), wk = 0.0033898 k( 77) = ( 0.4148936 0.4148936 0.0000000), wk = 0.0033898 k( 78) = ( 0.4042553 0.4042553 -0.0000000), wk = 0.0033898 k( 79) = ( 0.3936170 0.3936170 -0.0000000), wk = 0.0033898 k( 80) = ( 0.3829787 0.3829787 0.0000000), wk = 0.0033898 k( 81) = ( 0.3723404 0.3723404 -0.0000000), wk = 0.0033898 k( 82) = ( 0.3617021 0.3617021 -0.0000000), wk = 0.0033898 k( 83) = ( 0.3510638 0.3510638 0.0000000), wk = 0.0033898 k( 84) = ( 0.3404255 0.3404255 -0.0000000), wk = 0.0033898 k( 85) = ( 0.3297872 0.3297872 0.0000000), wk = 0.0033898 k( 86) = ( 0.3191489 0.3191489 -0.0000000), wk = 0.0033898 k( 87) = ( 0.3085106 0.3085106 -0.0000000), wk = 0.0033898 k( 88) = ( 0.2978723 0.2978723 0.0000000), wk = 0.0033898 k( 89) = ( 0.2872340 0.2872340 -0.0000000), wk = 0.0033898 k( 90) = ( 0.2765957 0.2765957 0.0000000), wk = 0.0033898 k( 91) = ( 0.2659574 0.2659574 0.0000000), wk = 0.0033898 k( 92) = ( 0.2553191 0.2553191 0.0000000), wk = 0.0033898 k( 93) = ( 0.2446809 0.2446809 0.0000000), wk = 0.0033898 k( 94) = ( 0.2340425 0.2340425 0.0000000), wk = 0.0033898 k( 95) = ( 0.2234043 0.2234043 0.0000000), wk = 0.0033898 k( 96) = ( 0.2127660 0.2127660 0.0000000), wk = 0.0033898 k( 97) = ( 0.2021277 0.2021277 -0.0000000), wk = 0.0033898 k( 98) = ( 0.1914894 0.1914894 0.0000000), wk = 0.0033898 k( 99) = ( 0.1808511 0.1808511 0.0000000), wk = 0.0033898 k( 100) = ( 0.1702128 0.1702128 0.0000000), wk = 0.0033898 k( 101) = ( 0.1595745 0.1595745 -0.0000000), wk = 0.0033898 k( 102) = ( 0.1489362 0.1489362 0.0000000), wk = 0.0033898 k( 103) = ( 0.1382979 0.1382979 0.0000000), wk = 0.0033898 k( 104) = ( 0.1276596 0.1276596 0.0000000), wk = 0.0033898 k( 105) = ( 0.1170213 0.1170213 0.0000000), wk = 0.0033898 k( 106) = ( 0.1063830 0.1063830 0.0000000), wk = 0.0033898 k( 107) = ( 0.0957447 0.0957447 0.0000000), wk = 0.0033898 k( 108) = ( 0.0851064 0.0851064 0.0000000), wk = 0.0033898 k( 109) = ( 0.0744681 0.0744681 0.0000000), wk = 0.0033898 k( 110) = ( 0.0638298 0.0638298 0.0000000), wk = 0.0033898 k( 111) = ( 0.0531915 0.0531915 0.0000000), wk = 0.0033898 k( 112) = ( 0.0425532 0.0425532 0.0000000), wk = 0.0033898 k( 113) = ( 0.0319149 0.0319149 0.0000000), wk = 0.0033898 k( 114) = ( 0.0212766 0.0212766 -0.0000000), wk = 0.0033898 k( 115) = ( 0.0106383 0.0106383 -0.0000000), wk = 0.0033898 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 118) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0033898 k( 119) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0033898 k( 120) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0033898 k( 121) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0033898 k( 122) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0033898 k( 123) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0033898 k( 124) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0033898 k( 125) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0033898 k( 126) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0033898 k( 127) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0033898 k( 128) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0033898 k( 129) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0033898 k( 130) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0033898 k( 131) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0033898 k( 132) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0033898 k( 133) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0033898 k( 134) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0033898 k( 135) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0033898 k( 136) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0033898 k( 137) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033898 k( 138) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033898 k( 139) = ( 0.0000000 0.0151515 0.5000000), wk = 0.0033898 k( 140) = ( 0.0000000 0.0303030 0.5000000), wk = 0.0033898 k( 141) = ( 0.0000000 0.0454546 0.5000000), wk = 0.0033898 k( 142) = ( 0.0000000 0.0606061 0.5000000), wk = 0.0033898 k( 143) = ( 0.0000000 0.0757576 0.5000000), wk = 0.0033898 k( 144) = ( 0.0000000 0.0909091 0.5000000), wk = 0.0033898 k( 145) = ( 0.0000000 0.1060606 0.5000000), wk = 0.0033898 k( 146) = ( 0.0000000 0.1212121 0.5000000), wk = 0.0033898 k( 147) = ( 0.0000000 0.1363636 0.5000000), wk = 0.0033898 k( 148) = ( 0.0000000 0.1515151 0.5000000), wk = 0.0033898 k( 149) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0033898 k( 150) = ( 0.0000000 0.1818182 0.5000000), wk = 0.0033898 k( 151) = ( 0.0000000 0.1969697 0.5000000), wk = 0.0033898 k( 152) = ( 0.0000000 0.2121212 0.5000000), wk = 0.0033898 k( 153) = ( 0.0000000 0.2272727 0.5000000), wk = 0.0033898 k( 154) = ( 0.0000000 0.2424242 0.5000000), wk = 0.0033898 k( 155) = ( 0.0000000 0.2575758 0.5000000), wk = 0.0033898 k( 156) = ( 0.0000000 0.2727273 0.5000000), wk = 0.0033898 k( 157) = ( 0.0000000 0.2878788 0.5000000), wk = 0.0033898 k( 158) = ( 0.0000000 0.3030303 0.5000000), wk = 0.0033898 k( 159) = ( 0.0000000 0.3181818 0.5000000), wk = 0.0033898 k( 160) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0033898 k( 161) = ( 0.0000000 0.3484849 0.5000000), wk = 0.0033898 k( 162) = ( 0.0000000 0.3636364 0.5000000), wk = 0.0033898 k( 163) = ( 0.0000000 0.3787879 0.5000000), wk = 0.0033898 k( 164) = ( 0.0000000 0.3939394 0.5000000), wk = 0.0033898 k( 165) = ( 0.0000000 0.4090909 0.5000000), wk = 0.0033898 k( 166) = ( 0.0000000 0.4242424 0.5000000), wk = 0.0033898 k( 167) = ( 0.0000000 0.4393939 0.5000000), wk = 0.0033898 k( 168) = ( 0.0000000 0.4545455 0.5000000), wk = 0.0033898 k( 169) = ( 0.0000000 0.4696970 0.5000000), wk = 0.0033898 k( 170) = ( 0.0000000 0.4848485 0.5000000), wk = 0.0033898 k( 171) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0033898 k( 172) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0033898 k( 173) = ( 0.0151515 0.5000000 0.5000000), wk = 0.0033898 k( 174) = ( 0.0303030 0.5000000 0.5000000), wk = 0.0033898 k( 175) = ( 0.0454546 0.5000000 0.5000000), wk = 0.0033898 k( 176) = ( 0.0606061 0.5000000 0.5000000), wk = 0.0033898 k( 177) = ( 0.0757576 0.5000000 0.5000000), wk = 0.0033898 k( 178) = ( 0.0909091 0.5000000 0.5000000), wk = 0.0033898 k( 179) = ( 0.1060606 0.5000000 0.5000000), wk = 0.0033898 k( 180) = ( 0.1212121 0.5000000 0.5000000), wk = 0.0033898 k( 181) = ( 0.1363636 0.5000000 0.5000000), wk = 0.0033898 k( 182) = ( 0.1515151 0.5000000 0.5000000), wk = 0.0033898 k( 183) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0033898 k( 184) = ( 0.1818182 0.5000000 0.5000000), wk = 0.0033898 k( 185) = ( 0.1969697 0.5000000 0.5000000), wk = 0.0033898 k( 186) = ( 0.2121212 0.5000000 0.5000000), wk = 0.0033898 k( 187) = ( 0.2272727 0.5000000 0.5000000), wk = 0.0033898 k( 188) = ( 0.2424242 0.5000000 0.5000000), wk = 0.0033898 k( 189) = ( 0.2575758 0.5000000 0.5000000), wk = 0.0033898 k( 190) = ( 0.2727273 0.5000000 0.5000000), wk = 0.0033898 k( 191) = ( 0.2878788 0.5000000 0.5000000), wk = 0.0033898 k( 192) = ( 0.3030303 0.5000000 0.5000000), wk = 0.0033898 k( 193) = ( 0.3181818 0.5000000 0.5000000), wk = 0.0033898 k( 194) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0033898 k( 195) = ( 0.3484849 0.5000000 0.5000000), wk = 0.0033898 k( 196) = ( 0.3636364 0.5000000 0.5000000), wk = 0.0033898 k( 197) = ( 0.3787879 0.5000000 0.5000000), wk = 0.0033898 k( 198) = ( 0.3939394 0.5000000 0.5000000), wk = 0.0033898 k( 199) = ( 0.4090909 0.5000000 0.5000000), wk = 0.0033898 k( 200) = ( 0.4242424 0.5000000 0.5000000), wk = 0.0033898 k( 201) = ( 0.4393939 0.5000000 0.5000000), wk = 0.0033898 k( 202) = ( 0.4545455 0.5000000 0.5000000), wk = 0.0033898 k( 203) = ( 0.4696970 0.5000000 0.5000000), wk = 0.0033898 k( 204) = ( 0.4848485 0.5000000 0.5000000), wk = 0.0033898 k( 205) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033898 k( 206) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033898 k( 207) = ( 0.4893617 0.4893617 0.5000000), wk = 0.0033898 k( 208) = ( 0.4787234 0.4787234 0.5000000), wk = 0.0033898 k( 209) = ( 0.4680851 0.4680851 0.5000000), wk = 0.0033898 k( 210) = ( 0.4574468 0.4574468 0.5000000), wk = 0.0033898 k( 211) = ( 0.4468085 0.4468085 0.5000000), wk = 0.0033898 k( 212) = ( 0.4361702 0.4361702 0.5000000), wk = 0.0033898 k( 213) = ( 0.4255319 0.4255319 0.5000000), wk = 0.0033898 k( 214) = ( 0.4148936 0.4148936 0.5000000), wk = 0.0033898 k( 215) = ( 0.4042553 0.4042553 0.5000000), wk = 0.0033898 k( 216) = ( 0.3936170 0.3936170 0.5000000), wk = 0.0033898 k( 217) = ( 0.3829787 0.3829787 0.5000000), wk = 0.0033898 k( 218) = ( 0.3723404 0.3723404 0.5000000), wk = 0.0033898 k( 219) = ( 0.3617021 0.3617021 0.5000000), wk = 0.0033898 k( 220) = ( 0.3510638 0.3510638 0.5000000), wk = 0.0033898 k( 221) = ( 0.3404255 0.3404255 0.5000000), wk = 0.0033898 k( 222) = ( 0.3297872 0.3297872 0.5000000), wk = 0.0033898 k( 223) = ( 0.3191489 0.3191489 0.5000000), wk = 0.0033898 k( 224) = ( 0.3085106 0.3085106 0.5000000), wk = 0.0033898 k( 225) = ( 0.2978723 0.2978723 0.5000000), wk = 0.0033898 k( 226) = ( 0.2872340 0.2872340 0.5000000), wk = 0.0033898 k( 227) = ( 0.2765957 0.2765957 0.5000000), wk = 0.0033898 k( 228) = ( 0.2659574 0.2659574 0.5000000), wk = 0.0033898 k( 229) = ( 0.2553191 0.2553191 0.5000000), wk = 0.0033898 k( 230) = ( 0.2446809 0.2446809 0.5000000), wk = 0.0033898 k( 231) = ( 0.2340425 0.2340425 0.5000000), wk = 0.0033898 k( 232) = ( 0.2234043 0.2234043 0.5000000), wk = 0.0033898 k( 233) = ( 0.2127660 0.2127660 0.5000000), wk = 0.0033898 k( 234) = ( 0.2021277 0.2021277 0.5000000), wk = 0.0033898 k( 235) = ( 0.1914894 0.1914894 0.5000000), wk = 0.0033898 k( 236) = ( 0.1808511 0.1808511 0.5000000), wk = 0.0033898 k( 237) = ( 0.1702128 0.1702128 0.5000000), wk = 0.0033898 k( 238) = ( 0.1595745 0.1595745 0.5000000), wk = 0.0033898 k( 239) = ( 0.1489362 0.1489362 0.5000000), wk = 0.0033898 k( 240) = ( 0.1382979 0.1382979 0.5000000), wk = 0.0033898 k( 241) = ( 0.1276596 0.1276596 0.5000000), wk = 0.0033898 k( 242) = ( 0.1170213 0.1170213 0.5000000), wk = 0.0033898 k( 243) = ( 0.1063830 0.1063830 0.5000000), wk = 0.0033898 k( 244) = ( 0.0957447 0.0957447 0.5000000), wk = 0.0033898 k( 245) = ( 0.0851064 0.0851064 0.5000000), wk = 0.0033898 k( 246) = ( 0.0744681 0.0744681 0.5000000), wk = 0.0033898 k( 247) = ( 0.0638298 0.0638298 0.5000000), wk = 0.0033898 k( 248) = ( 0.0531915 0.0531915 0.5000000), wk = 0.0033898 k( 249) = ( 0.0425532 0.0425532 0.5000000), wk = 0.0033898 k( 250) = ( 0.0319149 0.0319149 0.5000000), wk = 0.0033898 k( 251) = ( 0.0212766 0.0212766 0.5000000), wk = 0.0033898 k( 252) = ( 0.0106383 0.0106383 0.5000000), wk = 0.0033898 k( 253) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033898 k( 254) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033898 k( 255) = ( 0.0000000 0.5000000 0.0250000), wk = 0.0033898 k( 256) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0033898 k( 257) = ( 0.0000000 0.5000000 0.0750000), wk = 0.0033898 k( 258) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0033898 k( 259) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0033898 k( 260) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0033898 k( 261) = ( 0.0000000 0.5000000 0.1750000), wk = 0.0033898 k( 262) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0033898 k( 263) = ( 0.0000000 0.5000000 0.2250000), wk = 0.0033898 k( 264) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0033898 k( 265) = ( 0.0000000 0.5000000 0.2750000), wk = 0.0033898 k( 266) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0033898 k( 267) = ( 0.0000000 0.5000000 0.3250000), wk = 0.0033898 k( 268) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0033898 k( 269) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0033898 k( 270) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0033898 k( 271) = ( 0.0000000 0.5000000 0.4250000), wk = 0.0033898 k( 272) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0033898 k( 273) = ( 0.0000000 0.5000000 0.4750000), wk = 0.0033898 k( 274) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0033898 k( 275) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033898 k( 276) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0033898 k( 277) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0033898 k( 278) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0033898 k( 279) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0033898 k( 280) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0033898 k( 281) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0033898 k( 282) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0033898 k( 283) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0033898 k( 284) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0033898 k( 285) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0033898 k( 286) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0033898 k( 287) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0033898 k( 288) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0033898 k( 289) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0033898 k( 290) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0033898 k( 291) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0033898 k( 292) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0033898 k( 293) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0033898 k( 294) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0033898 k( 295) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033898 Dense grid: 121341 G-vectors FFT dimensions: ( 54, 54, 90) Smooth grid: 118985 G-vectors FFT dimensions: ( 54, 54, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.73 Mb ( 824, 58) NL pseudopotentials 1.38 Mb ( 412, 220) Each V/rho on FFT grid 0.13 Mb ( 8748) Each G-vector array 0.03 Mb ( 3372) G-vector shells 0.01 Mb ( 1668) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.92 Mb ( 824, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.39 Mb ( 220, 2, 58) The potential is recalculated from file : ./CsNaS.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.8 secs Computing kpt #: 2 total cpu time spent up to now is 5.5 secs Computing kpt #: 3 total cpu time spent up to now is 7.2 secs Computing kpt #: 4 total cpu time spent up to now is 8.6 secs Computing kpt #: 5 total cpu time spent up to now is 9.9 secs Computing kpt #: 6 total cpu time spent up to now is 11.3 secs Computing kpt #: 7 total cpu time spent up to now is 12.6 secs Computing kpt #: 8 total cpu time spent up to now is 14.0 secs Computing kpt #: 9 total cpu time spent up to now is 15.3 secs Computing kpt #: 10 total cpu time spent up to now is 16.6 secs Computing kpt #: 11 total cpu time spent up to now is 17.9 secs Computing kpt #: 12 total cpu time spent up to now is 19.3 secs Computing kpt #: 13 total cpu time spent up to now is 20.6 secs Computing kpt #: 14 total cpu time spent up to now is 22.1 secs Computing kpt #: 15 total cpu time spent up to now is 23.5 secs Computing kpt #: 16 total cpu time spent up to now is 24.8 secs Computing kpt #: 17 total cpu time spent up to now is 26.2 secs Computing kpt #: 18 total cpu time spent up to now is 27.7 secs Computing kpt #: 19 total cpu time spent up to now is 29.0 secs Computing kpt #: 20 total cpu time spent up to now is 30.4 secs Computing kpt #: 21 total cpu time spent up to now is 31.8 secs Computing kpt #: 22 total cpu time spent up to now is 33.2 secs Computing kpt #: 23 total cpu time spent up to now is 34.6 secs Computing kpt #: 24 total cpu time spent up to now is 35.9 secs Computing kpt #: 25 total cpu time spent up to now is 37.2 secs Computing kpt #: 26 total cpu time spent up to now is 38.6 secs Computing kpt #: 27 total cpu time spent up to now is 40.0 secs Computing kpt #: 28 total cpu time spent up to now is 41.3 secs Computing kpt #: 29 total cpu time spent up to now is 42.7 secs Computing kpt #: 30 total cpu time spent up to now is 44.0 secs Computing kpt #: 31 total cpu time spent up to now is 45.4 secs Computing kpt #: 32 total cpu time spent up to now is 46.7 secs Computing kpt #: 33 total cpu time spent up to now is 48.1 secs Computing kpt #: 34 total cpu time spent up to now is 49.4 secs Computing kpt #: 35 total cpu time spent up to now is 50.8 secs Computing kpt #: 36 total cpu time spent up to now is 52.1 secs Computing kpt #: 37 total cpu time spent up to now is 53.5 secs Computing kpt #: 38 total cpu time spent up to now is 54.9 secs Computing kpt #: 39 total cpu time spent up to now is 56.3 secs Computing kpt #: 40 total cpu time spent up to now is 57.6 secs Computing kpt #: 41 total cpu time spent up to now is 59.0 secs Computing kpt #: 42 total cpu time spent up to now is 60.3 secs Computing kpt #: 43 total cpu time spent up to now is 61.6 secs Computing kpt #: 44 total cpu time spent up to now is 62.9 secs Computing kpt #: 45 total cpu time spent up to now is 64.2 secs Computing kpt #: 46 total cpu time spent up to now is 65.5 secs Computing kpt #: 47 total cpu time spent up to now is 66.8 secs Computing kpt #: 48 total cpu time spent up to now is 68.4 secs Computing kpt #: 49 total cpu time spent up to now is 70.0 secs Computing kpt #: 50 total cpu time spent up to now is 71.3 secs Computing kpt #: 51 total cpu time spent up to now is 72.7 secs Computing kpt #: 52 total cpu time spent up to now is 74.0 secs Computing kpt #: 53 total cpu time spent up to now is 75.4 secs Computing kpt #: 54 total cpu time spent up to now is 76.8 secs Computing kpt #: 55 total cpu time spent up to now is 78.2 secs Computing kpt #: 56 total cpu time spent up to now is 79.5 secs Computing kpt #: 57 total cpu time spent up to now is 80.9 secs Computing kpt #: 58 total cpu time spent up to now is 82.4 secs Computing kpt #: 59 total cpu time spent up to now is 84.2 secs Computing kpt #: 60 total cpu time spent up to now is 85.9 secs Computing kpt #: 61 total cpu time spent up to now is 87.6 secs Computing kpt #: 62 total cpu time spent up to now is 89.7 secs Computing kpt #: 63 total cpu time spent up to now is 92.1 secs Computing kpt #: 64 total cpu time spent up to now is 94.2 secs Computing kpt #: 65 total cpu time spent up to now is 97.1 secs Computing kpt #: 66 total cpu time spent up to now is 99.9 secs Computing kpt #: 67 total cpu time spent up to now is 102.5 secs Computing kpt #: 68 total cpu time spent up to now is 103.8 secs Computing kpt #: 69 total cpu time spent up to now is 105.1 secs Computing kpt #: 70 total cpu time spent up to now is 107.7 secs Computing kpt #: 71 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 110.7 secs Computing kpt #: 72 total cpu time spent up to now is 113.2 secs Computing kpt #: 73 total cpu time spent up to now is 115.7 secs Computing kpt #: 74 total cpu time spent up to now is 118.2 secs Computing kpt #: 75 total cpu time spent up to now is 120.7 secs Computing kpt #: 76 total cpu time spent up to now is 123.2 secs Computing kpt #: 77 total cpu time spent up to now is 125.2 secs Computing kpt #: 78 total cpu time spent up to now is 126.6 secs Computing kpt #: 79 total cpu time spent up to now is 128.0 secs Computing kpt #: 80 total cpu time spent up to now is 129.3 secs Computing kpt #: 81 total cpu time spent up to now is 130.7 secs Computing kpt #: 82 total cpu time spent up to now is 132.0 secs Computing kpt #: 83 total cpu time spent up to now is 133.4 secs Computing kpt #: 84 total cpu time spent up to now is 134.7 secs Computing kpt #: 85 total cpu time spent up to now is 136.0 secs Computing kpt #: 86 total cpu time spent up to now is 137.4 secs Computing kpt #: 87 total cpu time spent up to now is 138.7 secs Computing kpt #: 88 total cpu time spent up to now is 140.1 secs Computing kpt #: 89 total cpu time spent up to now is 141.4 secs Computing kpt #: 90 total cpu time spent up to now is 142.7 secs Computing kpt #: 91 total cpu time spent up to now is 144.1 secs Computing kpt #: 92 total cpu time spent up to now is 145.4 secs Computing kpt #: 93 total cpu time spent up to now is 146.5 secs Computing kpt #: 94 total cpu time spent up to now is 147.7 secs Computing kpt #: 95 total cpu time spent up to now is 149.0 secs Computing kpt #: 96 total cpu time spent up to now is 150.3 secs Computing kpt #: 97 total cpu time spent up to now is 151.6 secs Computing kpt #: 98 total cpu time spent up to now is 152.9 secs Computing kpt #: 99 total cpu time spent up to now is 154.3 secs Computing kpt #: 100 total cpu time spent up to now is 155.6 secs Computing kpt #: 101 total cpu time spent up to now is 156.9 secs Computing kpt #: 102 total cpu time spent up to now is 158.2 secs Computing kpt #: 103 total cpu time spent up to now is 159.5 secs Computing kpt #: 104 total cpu time spent up to now is 160.9 secs Computing kpt #: 105 total cpu time spent up to now is 162.2 secs Computing kpt #: 106 total cpu time spent up to now is 163.6 secs Computing kpt #: 107 total cpu time spent up to now is 165.0 secs Computing kpt #: 108 total cpu time spent up to now is 166.3 secs Computing kpt #: 109 total cpu time spent up to now is 167.7 secs Computing kpt #: 110 total cpu time spent up to now is 169.0 secs Computing kpt #: 111 total cpu time spent up to now is 170.4 secs Computing kpt #: 112 total cpu time spent up to now is 171.7 secs Computing kpt #: 113 total cpu time spent up to now is 173.0 secs Computing kpt #: 114 total cpu time spent up to now is 174.4 secs Computing kpt #: 115 total cpu time spent up to now is 175.8 secs Computing kpt #: 116 total cpu time spent up to now is 177.3 secs Computing kpt #: 117 total cpu time spent up to now is 179.0 secs Computing kpt #: 118 total cpu time spent up to now is 180.3 secs Computing kpt #: 119 total cpu time spent up to now is 181.9 secs Computing kpt #: 120 total cpu time spent up to now is 183.6 secs Computing kpt #: 121 total cpu time spent up to now is 185.4 secs Computing kpt #: 122 total cpu time spent up to now is 187.2 secs Computing kpt #: 123 total cpu time spent up to now is 189.0 secs Computing kpt #: 124 total cpu time spent up to now is 190.7 secs Computing kpt #: 125 total cpu time spent up to now is 192.4 secs Computing kpt #: 126 total cpu time spent up to now is 194.1 secs Computing kpt #: 127 total cpu time spent up to now is 195.9 secs Computing kpt #: 128 total cpu time spent up to now is 197.6 secs Computing kpt #: 129 total cpu time spent up to now is 199.3 secs Computing kpt #: 130 total cpu time spent up to now is 201.0 secs Computing kpt #: 131 total cpu time spent up to now is 202.8 secs Computing kpt #: 132 total cpu time spent up to now is 204.6 secs Computing kpt #: 133 total cpu time spent up to now is 206.0 secs Computing kpt #: 134 total cpu time spent up to now is 207.7 secs Computing kpt #: 135 total cpu time spent up to now is 209.4 secs Computing kpt #: 136 total cpu time spent up to now is 211.1 secs Computing kpt #: 137 total cpu time spent up to now is 212.8 secs Computing kpt #: 138 total cpu time spent up to now is 214.5 secs Computing kpt #: 139 total cpu time spent up to now is 215.8 secs Computing kpt #: 140 total cpu time spent up to now is 217.4 secs Computing kpt #: 141 total cpu time spent up to now is 218.8 secs Computing kpt #: 142 total cpu time spent up to now is 220.1 secs Computing kpt #: 143 total cpu time spent up to now is 221.4 secs Computing kpt #: 144 total cpu time spent up to now is 222.8 secs Computing kpt #: 145 total cpu time spent up to now is 224.2 secs Computing kpt #: 146 total cpu time spent up to now is 225.6 secs Computing kpt #: 147 total cpu time spent up to now is 227.0 secs Computing kpt #: 148 total cpu time spent up to now is 228.4 secs Computing kpt #: 149 total cpu time spent up to now is 229.7 secs Computing kpt #: 150 total cpu time spent up to now is 231.1 secs Computing kpt #: 151 total cpu time spent up to now is 232.4 secs Computing kpt #: 152 total cpu time spent up to now is 233.8 secs Computing kpt #: 153 total cpu time spent up to now is 235.2 secs Computing kpt #: 154 total cpu time spent up to now is 236.5 secs Computing kpt #: 155 total cpu time spent up to now is 237.9 secs Computing kpt #: 156 total cpu time spent up to now is 239.3 secs Computing kpt #: 157 total cpu time spent up to now is 240.7 secs Computing kpt #: 158 total cpu time spent up to now is 242.2 secs Computing kpt #: 159 total cpu time spent up to now is 243.6 secs Computing kpt #: 160 total cpu time spent up to now is 245.1 secs Computing kpt #: 161 total cpu time spent up to now is 246.5 secs Computing kpt #: 162 total cpu time spent up to now is 247.9 secs Computing kpt #: 163 total cpu time spent up to now is 249.4 secs Computing kpt #: 164 total cpu time spent up to now is 250.8 secs Computing kpt #: 165 total cpu time spent up to now is 252.2 secs Computing kpt #: 166 total cpu time spent up to now is 253.6 secs Computing kpt #: 167 total cpu time spent up to now is 254.9 secs Computing kpt #: 168 total cpu time spent up to now is 256.3 secs Computing kpt #: 169 total cpu time spent up to now is 257.8 secs Computing kpt #: 170 total cpu time spent up to now is 259.2 secs Computing kpt #: 171 total cpu time spent up to now is 260.5 secs Computing kpt #: 172 total cpu time spent up to now is 261.9 secs Computing kpt #: 173 total cpu time spent up to now is 263.2 secs Computing kpt #: 174 total cpu time spent up to now is 264.6 secs Computing kpt #: 175 total cpu time spent up to now is 265.9 secs Computing kpt #: 176 total cpu time spent up to now is 267.3 secs Computing kpt #: 177 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 270.4 secs Computing kpt #: 178 total cpu time spent up to now is 272.6 secs Computing kpt #: 179 total cpu time spent up to now is 274.8 secs Computing kpt #: 180 total cpu time spent up to now is 276.3 secs Computing kpt #: 181 total cpu time spent up to now is 278.0 secs Computing kpt #: 182 total cpu time spent up to now is 279.5 secs Computing kpt #: 183 total cpu time spent up to now is 281.1 secs Computing kpt #: 184 total cpu time spent up to now is 283.4 secs Computing kpt #: 185 total cpu time spent up to now is 285.1 secs Computing kpt #: 186 total cpu time spent up to now is 286.8 secs Computing kpt #: 187 total cpu time spent up to now is 288.5 secs Computing kpt #: 188 total cpu time spent up to now is 290.3 secs Computing kpt #: 189 total cpu time spent up to now is 292.0 secs Computing kpt #: 190 total cpu time spent up to now is 293.5 secs Computing kpt #: 191 total cpu time spent up to now is 295.2 secs Computing kpt #: 192 total cpu time spent up to now is 296.6 secs Computing kpt #: 193 total cpu time spent up to now is 297.9 secs Computing kpt #: 194 total cpu time spent up to now is 299.3 secs Computing kpt #: 195 total cpu time spent up to now is 300.6 secs Computing kpt #: 196 total cpu time spent up to now is 301.9 secs Computing kpt #: 197 total cpu time spent up to now is 303.3 secs Computing kpt #: 198 total cpu time spent up to now is 304.6 secs Computing kpt #: 199 total cpu time spent up to now is 306.0 secs Computing kpt #: 200 total cpu time spent up to now is 307.3 secs Computing kpt #: 201 total cpu time spent up to now is 308.7 secs Computing kpt #: 202 total cpu time spent up to now is 310.0 secs Computing kpt #: 203 total cpu time spent up to now is 311.4 secs Computing kpt #: 204 total cpu time spent up to now is 312.7 secs Computing kpt #: 205 total cpu time spent up to now is 314.0 secs Computing kpt #: 206 total cpu time spent up to now is 315.3 secs Computing kpt #: 207 total cpu time spent up to now is 316.6 secs Computing kpt #: 208 total cpu time spent up to now is 317.9 secs Computing kpt #: 209 total cpu time spent up to now is 319.3 secs Computing kpt #: 210 total cpu time spent up to now is 320.7 secs Computing kpt #: 211 total cpu time spent up to now is 322.0 secs Computing kpt #: 212 total cpu time spent up to now is 323.4 secs Computing kpt #: 213 total cpu time spent up to now is 324.8 secs Computing kpt #: 214 total cpu time spent up to now is 326.1 secs Computing kpt #: 215 total cpu time spent up to now is 327.5 secs Computing kpt #: 216 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 330.5 secs Computing kpt #: 217 total cpu time spent up to now is 332.0 secs Computing kpt #: 218 total cpu time spent up to now is 333.5 secs Computing kpt #: 219 total cpu time spent up to now is 335.0 secs Computing kpt #: 220 total cpu time spent up to now is 336.6 secs Computing kpt #: 221 total cpu time spent up to now is 338.2 secs Computing kpt #: 222 total cpu time spent up to now is 339.7 secs Computing kpt #: 223 total cpu time spent up to now is 341.5 secs Computing kpt #: 224 total cpu time spent up to now is 343.2 secs Computing kpt #: 225 total cpu time spent up to now is 344.7 secs Computing kpt #: 226 total cpu time spent up to now is 346.2 secs Computing kpt #: 227 total cpu time spent up to now is 347.7 secs Computing kpt #: 228 total cpu time spent up to now is 349.5 secs Computing kpt #: 229 total cpu time spent up to now is 351.2 secs Computing kpt #: 230 total cpu time spent up to now is 353.0 secs Computing kpt #: 231 total cpu time spent up to now is 354.6 secs Computing kpt #: 232 total cpu time spent up to now is 356.4 secs Computing kpt #: 233 total cpu time spent up to now is 358.3 secs Computing kpt #: 234 total cpu time spent up to now is 360.0 secs Computing kpt #: 235 total cpu time spent up to now is 361.7 secs Computing kpt #: 236 total cpu time spent up to now is 363.0 secs Computing kpt #: 237 total cpu time spent up to now is 364.4 secs Computing kpt #: 238 total cpu time spent up to now is 365.7 secs Computing kpt #: 239 total cpu time spent up to now is 367.1 secs Computing kpt #: 240 total cpu time spent up to now is 368.8 secs Computing kpt #: 241 total cpu time spent up to now is 370.3 secs Computing kpt #: 242 total cpu time spent up to now is 371.6 secs Computing kpt #: 243 total cpu time spent up to now is 373.0 secs Computing kpt #: 244 total cpu time spent up to now is 374.4 secs Computing kpt #: 245 total cpu time spent up to now is 375.7 secs Computing kpt #: 246 total cpu time spent up to now is 377.1 secs Computing kpt #: 247 total cpu time spent up to now is 378.4 secs Computing kpt #: 248 total cpu time spent up to now is 379.8 secs Computing kpt #: 249 total cpu time spent up to now is 381.2 secs Computing kpt #: 250 total cpu time spent up to now is 382.7 secs Computing kpt #: 251 total cpu time spent up to now is 384.1 secs Computing kpt #: 252 total cpu time spent up to now is 385.8 secs Computing kpt #: 253 total cpu time spent up to now is 387.5 secs Computing kpt #: 254 total cpu time spent up to now is 388.8 secs Computing kpt #: 255 total cpu time spent up to now is 390.1 secs Computing kpt #: 256 total cpu time spent up to now is 391.5 secs Computing kpt #: 257 total cpu time spent up to now is 392.8 secs Computing kpt #: 258 total cpu time spent up to now is 394.1 secs Computing kpt #: 259 total cpu time spent up to now is 395.4 secs Computing kpt #: 260 total cpu time spent up to now is 396.7 secs Computing kpt #: 261 total cpu time spent up to now is 398.1 secs Computing kpt #: 262 total cpu time spent up to now is 399.4 secs Computing kpt #: 263 total cpu time spent up to now is 400.8 secs Computing kpt #: 264 total cpu time spent up to now is 402.1 secs Computing kpt #: 265 total cpu time spent up to now is 403.5 secs Computing kpt #: 266 total cpu time spent up to now is 404.8 secs Computing kpt #: 267 total cpu time spent up to now is 406.2 secs Computing kpt #: 268 total cpu time spent up to now is 407.5 secs Computing kpt #: 269 total cpu time spent up to now is 408.9 secs Computing kpt #: 270 total cpu time spent up to now is 410.2 secs Computing kpt #: 271 total cpu time spent up to now is 411.6 secs Computing kpt #: 272 total cpu time spent up to now is 413.0 secs Computing kpt #: 273 total cpu time spent up to now is 414.3 secs Computing kpt #: 274 total cpu time spent up to now is 415.7 secs Computing kpt #: 275 total cpu time spent up to now is 417.0 secs Computing kpt #: 276 total cpu time spent up to now is 418.3 secs Computing kpt #: 277 total cpu time spent up to now is 419.7 secs Computing kpt #: 278 total cpu time spent up to now is 421.0 secs Computing kpt #: 279 total cpu time spent up to now is 422.3 secs Computing kpt #: 280 total cpu time spent up to now is 423.6 secs Computing kpt #: 281 total cpu time spent up to now is 425.0 secs Computing kpt #: 282 total cpu time spent up to now is 426.3 secs Computing kpt #: 283 total cpu time spent up to now is 427.6 secs Computing kpt #: 284 total cpu time spent up to now is 428.9 secs Computing kpt #: 285 total cpu time spent up to now is 430.1 secs Computing kpt #: 286 total cpu time spent up to now is 431.2 secs Computing kpt #: 287 total cpu time spent up to now is 432.3 secs Computing kpt #: 288 total cpu time spent up to now is 433.4 secs Computing kpt #: 289 total cpu time spent up to now is 434.5 secs Computing kpt #: 290 total cpu time spent up to now is 435.6 secs Computing kpt #: 291 total cpu time spent up to now is 436.7 secs Computing kpt #: 292 total cpu time spent up to now is 437.8 secs Computing kpt #: 293 total cpu time spent up to now is 438.9 secs Computing kpt #: 294 total cpu time spent up to now is 440.0 secs Computing kpt #: 295 total cpu time spent up to now is 441.1 secs ethr = 2.08E-08, avg # of iterations = 33.2 total cpu time spent up to now is 441.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 14863 PWs) bands (ev): -46.4325 -46.4325 -46.4279 -46.4279 -18.4961 -18.4961 -18.4742 -18.4742 -18.3238 -18.3238 -18.3114 -18.3114 -18.3048 -18.3048 -18.2806 -18.2806 -15.4860 -15.4860 -15.3095 -15.3095 -5.6563 -5.6563 -5.6452 -5.6452 -4.3694 -4.3694 -3.8998 -3.8998 -3.0570 -3.0570 -2.9121 -2.9121 -2.4495 -2.4495 -2.4077 -2.4077 3.4527 3.4527 4.0190 4.0190 4.0632 4.0632 4.1505 4.1505 4.2137 4.2137 4.2765 4.2765 7.0243 7.0243 7.0999 7.0999 8.8469 8.8469 9.1223 9.1223 9.3829 9.3829 k = 0.0000 0.0152-0.0000 ( 14857 PWs) bands (ev): -46.4325 -46.4325 -46.4279 -46.4279 -18.4961 -18.4961 -18.4742 -18.4742 -18.3238 -18.3238 -18.3114 -18.3114 -18.3048 -18.3048 -18.2806 -18.2806 -15.4858 -15.4858 -15.3096 -15.3096 -5.6568 -5.6568 -5.6452 -5.6452 -4.3692 -4.3692 -3.9000 -3.9000 -3.0568 -3.0568 -2.9118 -2.9118 -2.4498 -2.4498 -2.4077 -2.4077 3.4534 3.4534 4.0156 4.0156 4.0647 4.0647 4.1503 4.1503 4.2119 4.2119 4.2742 4.2742 7.0294 7.0294 7.1032 7.1032 8.8500 8.8500 9.1214 9.1214 9.3754 9.3754 k = 0.0000 0.0303-0.0000 ( 14841 PWs) bands (ev): -46.4325 -46.4325 -46.4279 -46.4279 -18.4961 -18.4961 -18.4742 -18.4742 -18.3237 -18.3237 -18.3114 -18.3114 -18.3048 -18.3048 -18.2807 -18.2807 -15.4854 -15.4854 -15.3098 -15.3098 -5.6583 -5.6583 -5.6452 -5.6452 -4.3686 -4.3686 -3.9006 -3.9006 -3.0563 -3.0563 -2.9109 -2.9109 -2.4507 -2.4507 -2.4077 -2.4077 3.4556 3.4556 4.0063 4.0063 4.0680 4.0680 4.1496 4.1496 4.2065 4.2065 4.2679 4.2679 7.0445 7.0445 7.1134 7.1134 8.8590 8.8590 9.1185 9.1185 9.3512 9.3512 k = 0.0000 0.0455-0.0000 ( 14832 PWs) bands (ev): -46.4324 -46.4324 -46.4280 -46.4280 -18.4960 -18.4960 -18.4742 -18.4742 -18.3236 -18.3236 -18.3114 -18.3114 -18.3048 -18.3048 -18.2808 -18.2808 -15.4847 -15.4847 -15.3100 -15.3100 -5.6605 -5.6605 -5.6453 -5.6453 -4.3675 -4.3675 -3.9016 -3.9016 -3.0555 -3.0555 -2.9094 -2.9094 -2.4523 -2.4523 -2.4078 -2.4078 3.4591 3.4591 3.9928 3.9928 4.0713 4.0713 4.1480 4.1480 4.1973 4.1973 4.2583 4.2583 7.0693 7.0693 7.1302 7.1302 8.8739 8.8739 9.1128 9.1128 9.3103 9.3103 k = 0.0000 0.0606-0.0000 ( 14834 PWs) bands (ev): -46.4324 -46.4324 -46.4280 -46.4280 -18.4959 -18.4959 -18.4743 -18.4743 -18.3235 -18.3235 -18.3114 -18.3114 -18.3049 -18.3049 -18.2810 -18.2810 -15.4838 -15.4838 -15.3105 -15.3105 -5.6634 -5.6634 -5.6458 -5.6458 -4.3659 -4.3659 -3.9030 -3.9030 -3.0543 -3.0543 -2.9074 -2.9074 -2.4545 -2.4545 -2.4079 -2.4079 3.4641 3.4641 3.9763 3.9763 4.0737 4.0737 4.1445 4.1445 4.1848 4.1848 4.2469 4.2469 7.1032 7.1032 7.1536 7.1536 8.8945 8.8945 9.1023 9.1023 9.2602 9.2602 k = 0.0000 0.0758-0.0000 ( 14822 PWs) bands (ev): -46.4324 -46.4324 -46.4280 -46.4280 -18.4958 -18.4958 -18.4744 -18.4744 -18.3233 -18.3233 -18.3114 -18.3114 -18.3049 -18.3049 -18.2812 -18.2812 -15.4825 -15.4825 -15.3110 -15.3110 -5.6669 -5.6669 -5.6466 -5.6466 -4.3639 -4.3639 -3.9048 -3.9048 -3.0527 -3.0527 -2.9048 -2.9048 -2.4573 -2.4573 -2.4080 -2.4080 3.4703 3.4703 3.9571 3.9571 4.0745 4.0745 4.1354 4.1354 4.1723 4.1723 4.2347 4.2347 7.1458 7.1458 7.1834 7.1834 8.9202 8.9202 9.0819 9.0819 9.2117 9.2117 k = 0.0000 0.0909-0.0000 ( 14824 PWs) bands (ev): -46.4324 -46.4324 -46.4280 -46.4280 -18.4956 -18.4956 -18.4745 -18.4745 -18.3230 -18.3230 -18.3114 -18.3114 -18.3050 -18.3050 -18.2815 -18.2815 -15.4810 -15.4810 -15.3116 -15.3116 -5.6708 -5.6708 -5.6479 -5.6479 -4.3615 -4.3615 -3.9070 -3.9070 -3.0508 -3.0508 -2.9016 -2.9016 -2.4607 -2.4607 -2.4083 -2.4083 3.4779 3.4779 3.9355 3.9355 4.0730 4.0730 4.1167 4.1167 4.1647 4.1647 4.2226 4.2226 7.1961 7.1961 7.2194 7.2194 8.9505 8.9505 9.0450 9.0450 9.1757 9.1757 k = 0.0000 0.1061-0.0000 ( 14832 PWs) bands (ev): -46.4323 -46.4323 -46.4281 -46.4281 -18.4955 -18.4955 -18.4747 -18.4747 -18.3228 -18.3228 -18.3113 -18.3113 -18.3051 -18.3051 -18.2819 -18.2819 -15.4793 -15.4793 -15.3124 -15.3124 -5.6751 -5.6751 -5.6496 -5.6496 -4.3586 -4.3586 -3.9096 -3.9096 -3.0485 -3.0485 -2.8980 -2.8980 -2.4646 -2.4646 -2.4086 -2.4086 3.4866 3.4866 3.9117 3.9117 4.0662 4.0662 4.0927 4.0927 4.1611 4.1611 4.2108 4.2108 7.2533 7.2533 7.2614 7.2614 8.9809 8.9809 8.9955 8.9955 9.1544 9.1544 k = 0.0000 0.1212-0.0000 ( 14856 PWs) bands (ev): -46.4323 -46.4323 -46.4281 -46.4281 -18.4953 -18.4953 -18.4748 -18.4748 -18.3225 -18.3225 -18.3113 -18.3113 -18.3052 -18.3052 -18.2823 -18.2823 -15.4773 -15.4773 -15.3133 -15.3133 -5.6798 -5.6798 -5.6517 -5.6517 -4.3552 -4.3552 -3.9126 -3.9126 -3.0458 -3.0458 -2.8937 -2.8937 -2.4692 -2.4692 -2.4091 -2.4091 3.4964 3.4964 3.8860 3.8860 4.0432 4.0432 4.0780 4.0780 4.1581 4.1581 4.2001 4.2001 7.3086 7.3086 7.3170 7.3170 8.9292 8.9292 9.0225 9.0225 9.1413 9.1413 k = 0.0000 0.1364-0.0000 ( 14856 PWs) bands (ev): -46.4323 -46.4323 -46.4281 -46.4281 -18.4951 -18.4951 -18.4750 -18.4750 -18.3221 -18.3221 -18.3113 -18.3113 -18.3053 -18.3053 -18.2827 -18.2827 -15.4750 -15.4750 -15.3143 -15.3143 -5.6848 -5.6848 -5.6543 -5.6543 -4.3513 -4.3513 -3.9159 -3.9159 -3.0427 -3.0427 -2.8891 -2.8891 -2.4742 -2.4742 -2.4097 -2.4097 3.5072 3.5072 3.8586 3.8586 4.0077 4.0077 4.0711 4.0711 4.1532 4.1532 4.1917 4.1917 7.3613 7.3613 7.3855 7.3855 8.8659 8.8659 9.0594 9.0594 9.1318 9.1318 k = 0.0000 0.1515-0.0000 ( 14864 PWs) bands (ev): -46.4322 -46.4322 -46.4282 -46.4282 -18.4948 -18.4948 -18.4752 -18.4752 -18.3217 -18.3217 -18.3113 -18.3113 -18.3054 -18.3054 -18.2832 -18.2832 -15.4725 -15.4725 -15.3155 -15.3155 -5.6901 -5.6901 -5.6574 -5.6574 -4.3468 -4.3468 -3.9197 -3.9197 -3.0393 -3.0393 -2.8839 -2.8839 -2.4798 -2.4798 -2.4105 -2.4105 3.5188 3.5188 3.8298 3.8298 3.9682 3.9682 4.0649 4.0649 4.1446 4.1446 4.1868 4.1868 7.4186 7.4186 7.4583 7.4583 8.8034 8.8034 9.0932 9.0932 9.1246 9.1246 k = 0.0000 0.1667-0.0000 ( 14874 PWs) bands (ev): -46.4322 -46.4322 -46.4282 -46.4282 -18.4946 -18.4946 -18.4755 -18.4755 -18.3213 -18.3213 -18.3112 -18.3112 -18.3055 -18.3055 -18.2837 -18.2837 -15.4698 -15.4698 -15.3167 -15.3167 -5.6956 -5.6956 -5.6608 -5.6608 -4.3419 -4.3419 -3.9238 -3.9238 -3.0354 -3.0354 -2.8783 -2.8783 -2.4858 -2.4858 -2.4116 -2.4116 3.5309 3.5309 3.7997 3.7997 3.9272 3.9272 4.0582 4.0582 4.1326 4.1326 4.1851 4.1851 7.4800 7.4800 7.5346 7.5346 8.7439 8.7439 9.1104 9.1104 9.1276 9.1276 k = 0.0000 0.1818-0.0000 ( 14886 PWs) bands (ev): -46.4321 -46.4321 -46.4283 -46.4283 -18.4943 -18.4943 -18.4757 -18.4757 -18.3208 -18.3208 -18.3112 -18.3112 -18.3057 -18.3057 -18.2843 -18.2843 -15.4669 -15.4669 -15.3181 -15.3181 -5.7012 -5.7012 -5.6647 -5.6647 -4.3365 -4.3365 -3.9283 -3.9283 -3.0311 -3.0311 -2.8724 -2.8724 -2.4922 -2.4922 -2.4130 -2.4130 3.5430 3.5430 3.7688 3.7688 3.8859 3.8859 4.0509 4.0509 4.1183 4.1183 4.1850 4.1850 7.5446 7.5446 7.6134 7.6134 8.6887 8.6887 9.1053 9.1053 9.1331 9.1331 k = 0.0000 0.1970-0.0000 ( 14878 PWs) bands (ev): -46.4320 -46.4320 -46.4284 -46.4284 -18.4940 -18.4940 -18.4760 -18.4760 -18.3202 -18.3202 -18.3112 -18.3112 -18.3058 -18.3058 -18.2850 -18.2850 -15.4638 -15.4638 -15.3197 -15.3197 -5.7069 -5.7069 -5.6689 -5.6689 -4.3305 -4.3305 -3.9332 -3.9332 -3.0263 -3.0263 -2.8661 -2.8661 -2.4989 -2.4989 -2.4146 -2.4146 3.5544 3.5544 3.7374 3.7374 3.8458 3.8458 4.0430 4.0430 4.1027 4.1027 4.1857 4.1857 7.6113 7.6113 7.6938 7.6938 8.6393 8.6393 9.0976 9.0976 9.1103 9.1103 k = 0.0000 0.2121-0.0000 ( 14890 PWs) bands (ev): -46.4320 -46.4320 -46.4284 -46.4284 -18.4937 -18.4937 -18.4762 -18.4762 -18.3197 -18.3197 -18.3111 -18.3111 -18.3060 -18.3060 -18.2856 -18.2856 -15.4605 -15.4605 -15.3214 -15.3214 -5.7127 -5.7127 -5.6735 -5.6735 -4.3239 -4.3239 -3.9384 -3.9384 -3.0211 -3.0211 -2.8596 -2.8596 -2.5060 -2.5060 -2.4166 -2.4166 3.5639 3.5639 3.7061 3.7061 3.8082 3.8082 4.0345 4.0345 4.0865 4.0865 4.1866 4.1866 7.6786 7.6786 7.7748 7.7748 8.5974 8.5974 9.0852 9.0852 9.0918 9.0918 k = 0.0000 0.2273-0.0000 ( 14892 PWs) bands (ev): -46.4319 -46.4319 -46.4285 -46.4285 -18.4933 -18.4933 -18.4765 -18.4765 -18.3191 -18.3191 -18.3111 -18.3111 -18.3061 -18.3061 -18.2863 -18.2863 -15.4570 -15.4570 -15.3232 -15.3232 -5.7185 -5.7185 -5.6784 -5.6784 -4.3169 -4.3169 -3.9441 -3.9441 -3.0154 -3.0154 -2.8528 -2.8528 -2.5132 -2.5132 -2.4190 -2.4190 3.5693 3.5693 3.6753 3.6753 3.7755 3.7755 4.0255 4.0255 4.0700 4.0700 4.1872 4.1872 7.7445 7.7445 7.8553 7.8553 8.5651 8.5651 9.0656 9.0656 9.0826 9.0826 k = 0.0000 0.2424-0.0000 ( 14882 PWs) bands (ev): -46.4318 -46.4318 -46.4286 -46.4286 -18.4929 -18.4929 -18.4769 -18.4769 -18.3185 -18.3185 -18.3110 -18.3110 -18.3063 -18.3063 -18.2871 -18.2871 -15.4533 -15.4533 -15.3252 -15.3252 -5.7242 -5.7242 -5.6836 -5.6836 -4.3092 -4.3092 -3.9502 -3.9502 -3.0093 -3.0093 -2.8460 -2.8460 -2.5205 -2.5205 -2.4217 -2.4217 3.5672 3.5672 3.6455 3.6455 3.7512 3.7512 4.0162 4.0162 4.0534 4.0534 4.1874 4.1874 7.8063 7.8063 7.9342 7.9342 8.5450 8.5450 9.0483 9.0483 9.0705 9.0705 k = 0.0000 0.2576-0.0000 ( 14878 PWs) bands (ev): -46.4318 -46.4318 -46.4286 -46.4286 -18.4925 -18.4925 -18.4772 -18.4772 -18.3178 -18.3178 -18.3109 -18.3109 -18.3064 -18.3064 -18.2878 -18.2878 -15.4495 -15.4495 -15.3273 -15.3273 -5.7298 -5.7298 -5.6890 -5.6890 -4.3011 -4.3011 -3.9567 -3.9567 -3.0027 -3.0027 -2.8393 -2.8393 -2.5279 -2.5279 -2.4250 -2.4250 3.5552 3.5552 3.6164 3.6164 3.7386 3.7386 4.0065 4.0065 4.0369 4.0369 4.1869 4.1869 7.8606 7.8606 8.0103 8.0103 8.5402 8.5402 9.0325 9.0325 9.0384 9.0384 k = 0.0000 0.2727-0.0000 ( 14884 PWs) bands (ev): -46.4317 -46.4317 -46.4287 -46.4287 -18.4921 -18.4921 -18.4776 -18.4776 -18.3171 -18.3171 -18.3109 -18.3109 -18.3066 -18.3066 -18.2887 -18.2887 -15.4456 -15.4456 -15.3295 -15.3295 -5.7352 -5.7352 -5.6947 -5.6947 -4.2924 -4.2924 -3.9637 -3.9637 -2.9956 -2.9956 -2.8326 -2.8326 -2.5351 -2.5351 -2.4286 -2.4286 3.5345 3.5345 3.5868 3.5868 3.7380 3.7380 3.9967 3.9967 4.0208 4.0208 4.1857 4.1857 7.9043 7.9043 8.0818 8.0818 8.5539 8.5539 8.9959 8.9959 9.0245 9.0245 k = 0.0000 0.2879-0.0000 ( 14870 PWs) bands (ev): -46.4316 -46.4316 -46.4288 -46.4288 -18.4917 -18.4917 -18.4779 -18.4779 -18.3163 -18.3163 -18.3108 -18.3108 -18.3068 -18.3068 -18.2895 -18.2895 -15.4415 -15.4415 -15.3319 -15.3319 -5.7403 -5.7403 -5.7004 -5.7004 -4.2832 -4.2832 -3.9711 -3.9711 -2.9881 -2.9881 -2.8263 -2.8263 -2.5421 -2.5421 -2.4328 -2.4328 3.5087 3.5087 3.5565 3.5565 3.7464 3.7464 3.9867 3.9867 4.0052 4.0052 4.1836 4.1836 7.9354 7.9354 8.1471 8.1471 8.5877 8.5877 8.9565 8.9565 9.0175 9.0175 k = 0.0000 0.3030-0.0000 ( 14872 PWs) bands (ev): -46.4315 -46.4315 -46.4289 -46.4289 -18.4912 -18.4912 -18.4783 -18.4783 -18.3156 -18.3156 -18.3107 -18.3107 -18.3070 -18.3070 -18.2904 -18.2904 -15.4373 -15.4373 -15.3344 -15.3344 -5.7452 -5.7452 -5.7063 -5.7063 -4.2735 -4.2735 -3.9789 -3.9789 -2.9801 -2.9801 -2.8204 -2.8204 -2.5486 -2.5486 -2.4374 -2.4374 3.4812 3.4812 3.5261 3.5261 3.7603 3.7603 3.9767 3.9767 3.9903 3.9903 4.1806 4.1806 7.9544 7.9544 8.2040 8.2040 8.6407 8.6407 8.9203 8.9203 9.0145 9.0145 k = 0.0000 0.3182-0.0000 ( 14868 PWs) bands (ev): -46.4314 -46.4314 -46.4290 -46.4290 -18.4908 -18.4908 -18.4787 -18.4787 -18.3148 -18.3148 -18.3106 -18.3106 -18.3072 -18.3072 -18.2913 -18.2913 -15.4330 -15.4330 -15.3371 -15.3371 -5.7498 -5.7498 -5.7122 -5.7122 -4.2633 -4.2633 -3.9872 -3.9872 -2.9717 -2.9717 -2.8152 -2.8152 -2.5545 -2.5545 -2.4425 -2.4425 3.4535 3.4535 3.4964 3.4964 3.7774 3.7774 3.9667 3.9667 3.9763 3.9763 4.1764 4.1764 7.9639 7.9639 8.2499 8.2499 8.7098 8.7098 8.8902 8.8902 9.0151 9.0151 k = 0.0000 0.3333-0.0000 ( 14868 PWs) bands (ev): -46.4313 -46.4313 -46.4291 -46.4291 -18.4903 -18.4903 -18.4792 -18.4792 -18.3140 -18.3140 -18.3105 -18.3105 -18.3073 -18.3073 -18.2922 -18.2922 -15.4287 -15.4287 -15.3400 -15.3400 -5.7540 -5.7540 -5.7181 -5.7181 -4.2526 -4.2526 -3.9959 -3.9959 -2.9629 -2.9629 -2.8109 -2.8109 -2.5595 -2.5595 -2.4481 -2.4481 3.4268 3.4268 3.4678 3.4678 3.7966 3.7966 3.9568 3.9568 3.9633 3.9633 4.1712 4.1712 7.9673 7.9673 8.2825 8.2825 8.7910 8.7910 8.8690 8.8690 9.0190 9.0190 k = 0.0000 0.3485-0.0000 ( 14884 PWs) bands (ev): -46.4312 -46.4312 -46.4292 -46.4292 -18.4898 -18.4898 -18.4796 -18.4796 -18.3132 -18.3132 -18.3104 -18.3104 -18.3075 -18.3075 -18.2931 -18.2931 -15.4243 -15.4243 -15.3429 -15.3429 -5.7577 -5.7577 -5.7239 -5.7239 -4.2416 -4.2416 -4.0051 -4.0051 -2.9537 -2.9537 -2.8076 -2.8076 -2.5635 -2.5635 -2.4542 -2.4542 3.4017 3.4017 3.4408 3.4408 3.8170 3.8170 3.9467 3.9467 3.9518 3.9518 4.1647 4.1647 7.9675 7.9675 8.3000 8.3000 8.8564 8.8564 8.8823 8.8823 9.0212 9.0212 k = 0.0000 0.3636-0.0000 ( 14896 PWs) bands (ev): -46.4311 -46.4311 -46.4293 -46.4293 -18.4894 -18.4894 -18.4801 -18.4801 -18.3123 -18.3123 -18.3102 -18.3102 -18.3077 -18.3077 -18.2941 -18.2941 -15.4198 -15.4198 -15.3461 -15.3461 -5.7610 -5.7610 -5.7295 -5.7295 -4.2301 -4.2301 -4.0147 -4.0147 -2.9441 -2.9441 -2.8057 -2.8057 -2.5663 -2.5663 -2.4607 -2.4607 3.3786 3.3786 3.4155 3.4155 3.8380 3.8380 3.9367 3.9367 3.9419 3.9419 4.1570 4.1570 7.9670 7.9670 8.3025 8.3025 8.8565 8.8565 8.9746 8.9746 9.0191 9.0191 k = 0.0000 0.3788-0.0000 ( 14900 PWs) bands (ev): -46.4310 -46.4310 -46.4294 -46.4294 -18.4889 -18.4889 -18.4805 -18.4805 -18.3116 -18.3116 -18.3100 -18.3100 -18.3079 -18.3079 -18.2951 -18.2951 -15.4153 -15.4153 -15.3493 -15.3493 -5.7638 -5.7638 -5.7350 -5.7350 -4.2184 -4.2184 -4.0248 -4.0248 -2.9342 -2.9342 -2.8052 -2.8052 -2.5677 -2.5677 -2.4677 -2.4677 3.3577 3.3577 3.3920 3.3920 3.8592 3.8592 3.9271 3.9271 3.9334 3.9334 4.1480 4.1480 7.9672 7.9672 8.2922 8.2922 8.8642 8.8642 9.0095 9.0095 9.0565 9.0565 k = 0.0000 0.3939-0.0000 ( 14898 PWs) bands (ev): -46.4309 -46.4309 -46.4295 -46.4295 -18.4883 -18.4883 -18.4810 -18.4810 -18.3109 -18.3109 -18.3096 -18.3096 -18.3081 -18.3081 -18.2961 -18.2961 -15.4108 -15.4108 -15.3527 -15.3527 -5.7661 -5.7661 -5.7403 -5.7403 -4.2063 -4.2063 -4.0353 -4.0353 -2.9240 -2.9240 -2.8062 -2.8062 -2.5676 -2.5676 -2.4751 -2.4751 3.3393 3.3393 3.3707 3.3707 3.8798 3.8798 3.9185 3.9185 3.9267 3.9267 4.1377 4.1377 7.9692 7.9692 8.2723 8.2723 8.8772 8.8772 9.0054 9.0054 9.0808 9.0808 k = 0.0000 0.4091-0.0000 ( 14896 PWs) bands (ev): -46.4308 -46.4308 -46.4296 -46.4296 -18.4878 -18.4878 -18.4815 -18.4815 -18.3104 -18.3104 -18.3091 -18.3091 -18.3082 -18.3082 -18.2971 -18.2971 -15.4063 -15.4063 -15.3562 -15.3562 -5.7679 -5.7679 -5.7452 -5.7452 -4.1940 -4.1940 -4.0462 -4.0462 -2.9136 -2.9136 -2.8088 -2.8088 -2.5660 -2.5660 -2.4828 -2.4828 3.3236 3.3236 3.3515 3.3515 3.8969 3.8969 3.9112 3.9112 3.9242 3.9242 4.1262 4.1262 7.9737 7.9737 8.2460 8.2460 8.8928 8.8928 9.0007 9.0007 9.1063 9.1063 k = 0.0000 0.4242-0.0000 ( 14900 PWs) bands (ev): -46.4307 -46.4307 -46.4297 -46.4297 -18.4873 -18.4873 -18.4820 -18.4820 -18.3102 -18.3102 -18.3086 -18.3086 -18.3080 -18.3080 -18.2981 -18.2981 -15.4018 -15.4018 -15.3599 -15.3599 -5.7690 -5.7690 -5.7498 -5.7498 -4.1815 -4.1815 -4.0574 -4.0574 -2.9031 -2.9031 -2.8129 -2.8129 -2.5630 -2.5630 -2.4907 -2.4907 3.3106 3.3106 3.3346 3.3346 3.9016 3.9016 3.9056 3.9056 3.9342 3.9342 4.1134 4.1134 7.9812 7.9812 8.2160 8.2160 8.9089 8.9089 8.9959 8.9959 9.1354 9.1354 k = 0.0000 0.4394-0.0000 ( 14912 PWs) bands (ev): -46.4306 -46.4306 -46.4298 -46.4298 -18.4868 -18.4868 -18.4825 -18.4825 -18.3100 -18.3100 -18.3087 -18.3087 -18.3072 -18.3072 -18.2991 -18.2991 -15.3973 -15.3973 -15.3637 -15.3637 -5.7696 -5.7696 -5.7540 -5.7540 -4.1689 -4.1689 -4.0690 -4.0690 -2.8924 -2.8924 -2.8185 -2.8185 -2.5587 -2.5587 -2.4990 -2.4990 3.3004 3.3004 3.3202 3.3202 3.8983 3.8983 3.9014 3.9014 3.9529 3.9529 4.0994 4.0994 7.9919 7.9919 8.1846 8.1846 8.9240 8.9240 8.9911 8.9911 9.1683 9.1683 k = 0.0000 0.4545-0.0000 ( 14898 PWs) bands (ev): -46.4305 -46.4305 -46.4299 -46.4299 -18.4862 -18.4862 -18.4830 -18.4830 -18.3098 -18.3098 -18.3088 -18.3088 -18.3062 -18.3062 -18.3001 -18.3001 -15.3928 -15.3928 -15.3675 -15.3675 -5.7697 -5.7697 -5.7578 -5.7578 -4.1562 -4.1562 -4.0809 -4.0809 -2.8818 -2.8818 -2.8253 -2.8253 -2.5532 -2.5532 -2.5073 -2.5073 3.2931 3.2931 3.3082 3.3082 3.8948 3.8948 3.8975 3.8975 3.9731 3.9731 4.0842 4.0842 8.0060 8.0060 8.1531 8.1531 8.9375 8.9375 8.9861 8.9861 9.2050 9.2050 k = 0.0000 0.4697-0.0000 ( 14894 PWs) bands (ev): -46.4304 -46.4304 -46.4300 -46.4300 -18.4857 -18.4857 -18.4835 -18.4835 -18.3097 -18.3097 -18.3090 -18.3090 -18.3053 -18.3053 -18.3012 -18.3012 -15.3884 -15.3884 -15.3715 -15.3715 -5.7691 -5.7691 -5.7611 -5.7611 -4.1434 -4.1434 -4.0931 -4.0931 -2.8713 -2.8713 -2.8331 -2.8331 -2.5468 -2.5468 -2.5157 -2.5157 3.2886 3.2886 3.2988 3.2988 3.8923 3.8923 3.8944 3.8944 3.9933 3.9933 4.0679 4.0679 8.0233 8.0233 8.1226 8.1226 8.9492 8.9492 8.9807 8.9807 9.2453 9.2453 k = 0.0000 0.4848-0.0000 ( 14892 PWs) bands (ev): -46.4303 -46.4303 -46.4301 -46.4301 -18.4851 -18.4851 -18.4841 -18.4841 -18.3095 -18.3095 -18.3092 -18.3092 -18.3042 -18.3042 -18.3022 -18.3022 -15.3841 -15.3841 -15.3756 -15.3756 -5.7679 -5.7679 -5.7639 -5.7639 -4.1307 -4.1307 -4.1054 -4.1054 -2.8611 -2.8611 -2.8418 -2.8418 -2.5397 -2.5397 -2.5239 -2.5239 3.2870 3.2870 3.2921 3.2921 3.8911 3.8911 3.8922 3.8922 4.0131 4.0131 4.0505 4.0505 8.0439 8.0439 8.0939 8.0939 8.9591 8.9591 8.9745 8.9745 9.2893 9.2893 k = 0.0000 0.5000-0.0000 ( 14886 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4846 -18.4846 -18.4846 -18.4846 -18.3093 -18.3093 -18.3093 -18.3093 -18.3032 -18.3032 -18.3032 -18.3032 -15.3798 -15.3798 -15.3798 -15.3798 -5.7662 -5.7662 -5.7662 -5.7662 -4.1180 -4.1180 -4.1180 -4.1180 -2.8512 -2.8512 -2.8512 -2.8512 -2.5320 -2.5320 -2.5320 -2.5320 3.2882 3.2882 3.2882 3.2882 3.8911 3.8911 3.8911 3.8911 4.0322 4.0322 4.0322 4.0322 8.0675 8.0675 8.0675 8.0675 8.9675 8.9675 8.9675 8.9675 9.3368 9.3368 k = 0.0000 0.5000-0.0000 ( 14886 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4846 -18.4846 -18.4846 -18.4846 -18.3093 -18.3093 -18.3093 -18.3093 -18.3032 -18.3032 -18.3032 -18.3032 -15.3798 -15.3798 -15.3798 -15.3798 -5.7662 -5.7662 -5.7662 -5.7662 -4.1180 -4.1180 -4.1180 -4.1180 -2.8512 -2.8512 -2.8512 -2.8512 -2.5320 -2.5320 -2.5320 -2.5320 3.2882 3.2882 3.2882 3.2882 3.8911 3.8911 3.8911 3.8911 4.0322 4.0322 4.0322 4.0322 8.0675 8.0675 8.0675 8.0675 8.9675 8.9675 8.9675 8.9675 9.3368 9.3368 k = 0.0152 0.5000-0.0000 ( 14884 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4846 -18.4846 -18.4846 -18.4846 -18.3095 -18.3095 -18.3093 -18.3093 -18.3032 -18.3032 -18.3030 -18.3030 -15.3798 -15.3798 -15.3798 -15.3798 -5.7659 -5.7659 -5.7657 -5.7657 -4.1187 -4.1187 -4.1181 -4.1181 -2.8617 -2.8617 -2.8415 -2.8415 -2.5432 -2.5432 -2.5219 -2.5219 3.2865 3.2865 3.2918 3.2918 3.8854 3.8854 3.8922 3.8922 4.0311 4.0311 4.0374 4.0374 8.0658 8.0658 8.0673 8.0673 8.9613 8.9613 8.9664 8.9664 9.3440 9.3440 k = 0.0303 0.5000-0.0000 ( 14884 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4847 -18.4847 -18.4846 -18.4846 -18.3099 -18.3099 -18.3096 -18.3096 -18.3029 -18.3029 -18.3027 -18.3027 -15.3797 -15.3797 -15.3797 -15.3797 -5.7648 -5.7648 -5.7643 -5.7643 -4.1201 -4.1201 -4.1190 -4.1190 -2.8730 -2.8730 -2.8327 -2.8327 -2.5555 -2.5555 -2.5130 -2.5130 3.2868 3.2868 3.2975 3.2975 3.8762 3.8762 3.8887 3.8887 4.0342 4.0342 4.0458 4.0458 8.0623 8.0623 8.0653 8.0653 8.9493 8.9493 8.9587 8.9587 9.3657 9.3657 k = 0.0455 0.5000-0.0000 ( 14894 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4847 -18.4847 -18.4847 -18.4847 -18.3104 -18.3104 -18.3099 -18.3099 -18.3025 -18.3025 -18.3022 -18.3022 -15.3795 -15.3795 -15.3795 -15.3795 -5.7629 -5.7629 -5.7622 -5.7622 -4.1223 -4.1223 -4.1207 -4.1207 -2.8849 -2.8849 -2.8248 -2.8248 -2.5687 -2.5687 -2.5054 -2.5054 3.2891 3.2891 3.3050 3.3050 3.8646 3.8646 3.8814 3.8814 4.0407 4.0407 4.0562 4.0562 8.0572 8.0572 8.0617 8.0617 8.9334 8.9334 8.9462 8.9462 9.3990 9.3990 k = 0.0606 0.5000-0.0000 ( 14914 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4848 -18.4848 -18.4847 -18.4847 -18.3109 -18.3109 -18.3105 -18.3105 -18.3020 -18.3020 -18.3016 -18.3016 -15.3792 -15.3792 -15.3792 -15.3792 -5.7603 -5.7603 -5.7593 -5.7593 -4.1253 -4.1253 -4.1232 -4.1232 -2.8973 -2.8973 -2.8179 -2.8179 -2.5827 -2.5827 -2.4991 -2.4991 3.2932 3.2932 3.3143 3.3143 3.8516 3.8516 3.8715 3.8715 4.0494 4.0494 4.0674 4.0674 8.0510 8.0510 8.0569 8.0569 8.9158 8.9158 8.9308 8.9308 9.4400 9.4400 k = 0.0758 0.5000-0.0000 ( 14918 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4849 -18.4849 -18.4848 -18.4848 -18.3116 -18.3116 -18.3110 -18.3110 -18.3014 -18.3014 -18.3010 -18.3010 -15.3789 -15.3789 -15.3789 -15.3789 -5.7568 -5.7568 -5.7555 -5.7555 -4.1291 -4.1291 -4.1265 -4.1265 -2.9102 -2.9102 -2.8121 -2.8121 -2.5974 -2.5974 -2.4941 -2.4941 3.2991 3.2991 3.3252 3.3252 3.8382 3.8382 3.8604 3.8604 4.0590 4.0590 4.0789 4.0789 8.0440 8.0440 8.0513 8.0513 8.8977 8.8977 8.9143 8.9143 9.4870 9.4870 k = 0.0909 0.5000-0.0000 ( 14926 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4849 -18.4849 -18.4848 -18.4848 -18.3122 -18.3122 -18.3116 -18.3116 -18.3008 -18.3008 -18.3003 -18.3003 -15.3785 -15.3785 -15.3785 -15.3785 -5.7526 -5.7526 -5.7511 -5.7511 -4.1336 -4.1336 -4.1305 -4.1305 -2.9234 -2.9234 -2.8075 -2.8075 -2.6125 -2.6125 -2.4905 -2.4905 3.3067 3.3067 3.3375 3.3375 3.8248 3.8248 3.8488 3.8488 4.0688 4.0688 4.0899 4.0899 8.0370 8.0370 8.0455 8.0455 8.8800 8.8800 8.8975 8.8975 9.5384 9.5384 k = 0.1061 0.5000-0.0000 ( 14902 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4850 -18.4850 -18.4849 -18.4849 -18.3128 -18.3128 -18.3122 -18.3122 -18.3001 -18.3001 -18.2996 -18.2996 -15.3780 -15.3780 -15.3780 -15.3780 -5.7476 -5.7476 -5.7459 -5.7459 -4.1389 -4.1389 -4.1353 -4.1353 -2.9368 -2.9368 -2.8041 -2.8041 -2.6279 -2.6279 -2.4883 -2.4883 3.3156 3.3156 3.3510 3.3510 3.8120 3.8120 3.8375 3.8375 4.0781 4.0781 4.1000 4.1000 8.0304 8.0304 8.0400 8.0400 8.8630 8.8630 8.8811 8.8811 9.5927 9.5927 k = 0.1212 0.5000-0.0000 ( 14904 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4851 -18.4851 -18.4850 -18.4850 -18.3135 -18.3135 -18.3129 -18.3129 -18.2994 -18.2994 -18.2989 -18.2989 -15.3775 -15.3775 -15.3775 -15.3775 -5.7420 -5.7420 -5.7400 -5.7400 -4.1448 -4.1448 -4.1409 -4.1409 -2.9504 -2.9504 -2.8021 -2.8021 -2.6433 -2.6433 -2.4874 -2.4874 3.3258 3.3258 3.3653 3.3653 3.8002 3.8002 3.8269 3.8269 4.0864 4.0864 4.1090 4.1090 8.0247 8.0247 8.0354 8.0354 8.8469 8.8469 8.8651 8.8651 9.6489 9.6489 k = 0.1364 0.5000-0.0000 ( 14904 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4852 -18.4852 -18.4851 -18.4851 -18.3141 -18.3141 -18.3135 -18.3135 -18.2986 -18.2986 -18.2982 -18.2982 -15.3769 -15.3769 -15.3769 -15.3769 -5.7356 -5.7356 -5.7335 -5.7335 -4.1515 -4.1515 -4.1473 -4.1473 -2.9640 -2.9640 -2.8016 -2.8016 -2.6584 -2.6584 -2.4878 -2.4878 3.3369 3.3369 3.3802 3.3802 3.7897 3.7897 3.8175 3.8175 4.0935 4.0935 4.1166 4.1166 8.0206 8.0206 8.0320 8.0320 8.8314 8.8314 8.8497 8.8497 9.7065 9.7065 k = 0.1515 0.5000-0.0000 ( 14884 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4854 -18.4854 -18.4852 -18.4852 -18.3148 -18.3148 -18.3142 -18.3142 -18.2979 -18.2979 -18.2975 -18.2975 -15.3763 -15.3763 -15.3763 -15.3763 -5.7287 -5.7287 -5.7263 -5.7263 -4.1588 -4.1588 -4.1543 -4.1543 -2.9774 -2.9774 -2.8028 -2.8028 -2.6728 -2.6728 -2.4894 -2.4894 3.3486 3.3486 3.3953 3.3953 3.7809 3.7809 3.8097 3.8097 4.0991 4.0991 4.1227 4.1227 8.0183 8.0183 8.0304 8.0304 8.8166 8.8166 8.8347 8.8347 9.7654 9.7654 k = 0.1667 0.5000-0.0000 ( 14874 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4855 -18.4855 -18.4853 -18.4853 -18.3154 -18.3154 -18.3148 -18.3148 -18.2972 -18.2972 -18.2968 -18.2968 -15.3756 -15.3756 -15.3756 -15.3756 -5.7211 -5.7211 -5.7186 -5.7186 -4.1667 -4.1667 -4.1620 -4.1620 -2.9906 -2.9906 -2.8060 -2.8060 -2.6862 -2.6862 -2.4923 -2.4923 3.3607 3.3607 3.4103 3.4103 3.7740 3.7740 3.8037 3.8037 4.1032 4.1032 4.1272 4.1272 8.0184 8.0184 8.0309 8.0309 8.8022 8.8022 8.8200 8.8200 9.8255 9.8255 k = 0.1818 0.5000-0.0000 ( 14872 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4856 -18.4856 -18.4854 -18.4854 -18.3160 -18.3160 -18.3154 -18.3154 -18.2965 -18.2965 -18.2961 -18.2961 -15.3749 -15.3749 -15.3749 -15.3749 -5.7131 -5.7131 -5.7104 -5.7104 -4.1752 -4.1752 -4.1704 -4.1704 -3.0035 -3.0035 -2.8115 -2.8115 -2.6980 -2.6980 -2.4963 -2.4963 3.3729 3.3729 3.4247 3.4247 3.7694 3.7694 3.7997 3.7997 4.1055 4.1055 4.1299 4.1299 8.0209 8.0209 8.0337 8.0337 8.7882 8.7882 8.8056 8.8056 9.8870 9.8870 k = 0.1970 0.5000-0.0000 ( 14876 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4858 -18.4858 -18.4856 -18.4856 -18.3166 -18.3166 -18.3160 -18.3160 -18.2958 -18.2958 -18.2954 -18.2954 -15.3741 -15.3741 -15.3741 -15.3741 -5.7045 -5.7045 -5.7017 -5.7017 -4.1842 -4.1842 -4.1794 -4.1794 -3.0160 -3.0160 -2.8193 -2.8193 -2.7079 -2.7079 -2.5014 -2.5014 3.3849 3.3849 3.4383 3.4383 3.7671 3.7671 3.7979 3.7979 4.1060 4.1060 4.1309 4.1309 8.0262 8.0262 8.0391 8.0391 8.7743 8.7743 8.7913 8.7913 9.9503 9.9503 k = 0.2121 0.5000-0.0000 ( 14874 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4859 -18.4859 -18.4857 -18.4857 -18.3171 -18.3171 -18.3166 -18.3166 -18.2952 -18.2952 -18.2948 -18.2948 -15.3734 -15.3734 -15.3733 -15.3733 -5.6956 -5.6956 -5.6926 -5.6926 -4.1938 -4.1938 -4.1889 -4.1889 -3.0279 -3.0279 -2.8295 -2.8295 -2.7159 -2.7159 -2.5074 -2.5074 3.3965 3.3965 3.4507 3.4507 3.7673 3.7673 3.7984 3.7984 4.1048 4.1048 4.1303 4.1303 8.0342 8.0342 8.0470 8.0470 8.7605 8.7605 8.7771 8.7771 10.0154 10.0154 k = 0.2273 0.5000-0.0000 ( 14876 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4861 -18.4861 -18.4859 -18.4859 -18.3177 -18.3177 -18.3171 -18.3171 -18.2945 -18.2945 -18.2941 -18.2941 -15.3726 -15.3726 -15.3725 -15.3725 -5.6863 -5.6863 -5.6832 -5.6832 -4.2037 -4.2037 -4.1988 -4.1988 -3.0392 -3.0392 -2.8418 -2.8418 -2.7220 -2.7220 -2.5144 -2.5144 3.4074 3.4074 3.4616 3.4616 3.7701 3.7701 3.8012 3.8012 4.1019 4.1019 4.1281 4.1281 8.0449 8.0449 8.0574 8.0574 8.7468 8.7468 8.7629 8.7629 10.0825 10.0825 k = 0.2424 0.5000-0.0000 ( 14880 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4862 -18.4862 -18.4860 -18.4860 -18.3182 -18.3182 -18.3177 -18.3177 -18.2939 -18.2939 -18.2935 -18.2935 -15.3718 -15.3718 -15.3717 -15.3717 -5.6767 -5.6767 -5.6735 -5.6735 -4.2139 -4.2139 -4.2092 -4.2092 -3.0498 -3.0498 -2.8557 -2.8557 -2.7265 -2.7265 -2.5221 -2.5221 3.4176 3.4176 3.4712 3.4712 3.7752 3.7752 3.8063 3.8063 4.0974 4.0974 4.1244 4.1244 8.0583 8.0583 8.0704 8.0704 8.7332 8.7332 8.7487 8.7487 10.1514 10.1514 k = 0.2576 0.5000-0.0000 ( 14882 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4864 -18.4864 -18.4862 -18.4862 -18.3187 -18.3187 -18.3182 -18.3182 -18.2933 -18.2933 -18.2930 -18.2930 -15.3709 -15.3709 -15.3709 -15.3709 -5.6669 -5.6669 -5.6637 -5.6637 -4.2244 -4.2244 -4.2199 -4.2199 -3.0597 -3.0597 -2.8707 -2.8707 -2.7297 -2.7297 -2.5305 -2.5305 3.4269 3.4269 3.4792 3.4792 3.7825 3.7825 3.8135 3.8135 4.0914 4.0914 4.1194 4.1194 8.0741 8.0741 8.0856 8.0856 8.7196 8.7196 8.7346 8.7346 10.2221 10.2221 k = 0.2727 0.5000-0.0000 ( 14894 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4865 -18.4865 -18.4863 -18.4863 -18.3192 -18.3192 -18.3187 -18.3187 -18.2927 -18.2927 -18.2924 -18.2924 -15.3701 -15.3701 -15.3701 -15.3701 -5.6570 -5.6570 -5.6537 -5.6537 -4.2351 -4.2351 -4.2307 -4.2307 -3.0687 -3.0687 -2.8865 -2.8865 -2.7318 -2.7318 -2.5396 -2.5396 3.4355 3.4355 3.4859 3.4859 3.7914 3.7914 3.8226 3.8226 4.0840 4.0840 4.1133 4.1133 8.0922 8.0922 8.1030 8.1030 8.7062 8.7062 8.7206 8.7206 10.2940 10.2940 k = 0.2879 0.5000-0.0000 ( 14908 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4867 -18.4867 -18.4865 -18.4865 -18.3196 -18.3196 -18.3192 -18.3192 -18.2922 -18.2922 -18.2919 -18.2919 -15.3693 -15.3693 -15.3693 -15.3693 -5.6471 -5.6471 -5.6438 -5.6438 -4.2458 -4.2458 -4.2417 -4.2417 -3.0769 -3.0769 -2.9027 -2.9027 -2.7331 -2.7331 -2.5491 -2.5491 3.4432 3.4432 3.4915 3.4915 3.8017 3.8017 3.8333 3.8333 4.0754 4.0754 4.1063 4.1063 8.1121 8.1121 8.1222 8.1222 8.6930 8.6930 8.7067 8.7067 10.3667 10.3667 k = 0.3030 0.5000-0.0000 ( 14908 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4868 -18.4868 -18.4866 -18.4866 -18.3200 -18.3200 -18.3196 -18.3196 -18.2917 -18.2917 -18.2914 -18.2914 -15.3686 -15.3686 -15.3685 -15.3685 -5.6372 -5.6372 -5.6339 -5.6339 -4.2565 -4.2565 -4.2527 -4.2527 -3.0842 -3.0842 -2.9190 -2.9190 -2.7336 -2.7336 -2.5590 -2.5590 3.4503 3.4503 3.4961 3.4961 3.8128 3.8128 3.8452 3.8452 4.0659 4.0659 4.0986 4.0986 8.1336 8.1336 8.1428 8.1428 8.6801 8.6801 8.6931 8.6931 10.4393 10.4393 k = 0.3182 0.5000-0.0000 ( 14920 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4870 -18.4870 -18.4868 -18.4868 -18.3204 -18.3204 -18.3200 -18.3200 -18.2912 -18.2912 -18.2909 -18.2909 -15.3678 -15.3678 -15.3678 -15.3678 -5.6275 -5.6275 -5.6242 -5.6242 -4.2671 -4.2671 -4.2635 -4.2635 -3.0904 -3.0904 -2.9353 -2.9353 -2.7335 -2.7335 -2.5692 -2.5692 3.4569 3.4569 3.5000 3.5000 3.8242 3.8242 3.8580 3.8580 4.0556 4.0556 4.0904 4.0904 8.1562 8.1562 8.1645 8.1645 8.6675 8.6675 8.6798 8.6798 10.5108 10.5108 k = 0.3333 0.5000-0.0000 ( 14924 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4871 -18.4871 -18.4869 -18.4869 -18.3208 -18.3208 -18.3204 -18.3204 -18.2907 -18.2907 -18.2905 -18.2905 -15.3671 -15.3671 -15.3671 -15.3671 -5.6180 -5.6180 -5.6148 -5.6148 -4.2774 -4.2774 -4.2741 -4.2741 -3.0957 -3.0957 -2.9513 -2.9513 -2.7327 -2.7327 -2.5797 -2.5797 3.4631 3.4631 3.5033 3.5033 3.8354 3.8354 3.8712 3.8712 4.0449 4.0449 4.0822 4.0822 8.1795 8.1795 8.1869 8.1869 8.6555 8.6555 8.6671 8.6671 10.5800 10.5800 k = 0.3485 0.5000-0.0000 ( 14916 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4872 -18.4872 -18.4871 -18.4871 -18.3211 -18.3211 -18.3207 -18.3207 -18.2903 -18.2903 -18.2901 -18.2901 -15.3664 -15.3664 -15.3664 -15.3664 -5.6088 -5.6088 -5.6058 -5.6058 -4.2873 -4.2873 -4.2844 -4.2844 -3.1000 -3.1000 -2.9669 -2.9669 -2.7313 -2.7313 -2.5902 -2.5902 3.4689 3.4689 3.5062 3.5062 3.8462 3.8462 3.8844 3.8844 4.0339 4.0339 4.0739 4.0739 8.2030 8.2030 8.2095 8.2095 8.6441 8.6441 8.6549 8.6549 10.6455 10.6455 k = 0.3636 0.5000-0.0000 ( 14912 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4873 -18.4873 -18.4872 -18.4872 -18.3214 -18.3214 -18.3211 -18.3211 -18.2899 -18.2899 -18.2897 -18.2897 -15.3658 -15.3658 -15.3658 -15.3658 -5.6002 -5.6002 -5.5973 -5.5973 -4.2967 -4.2967 -4.2941 -4.2941 -3.1032 -3.1032 -2.9821 -2.9821 -2.7294 -2.7294 -2.6007 -2.6007 3.4745 3.4745 3.5087 3.5087 3.8562 3.8562 3.8972 3.8972 4.0231 4.0231 4.0660 4.0660 8.2262 8.2262 8.2318 8.2318 8.6335 8.6335 8.6433 8.6433 10.7057 10.7057 k = 0.3788 0.5000-0.0000 ( 14904 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4874 -18.4874 -18.4873 -18.4873 -18.3216 -18.3216 -18.3213 -18.3213 -18.2896 -18.2896 -18.2894 -18.2894 -15.3652 -15.3652 -15.3652 -15.3652 -5.5920 -5.5920 -5.5894 -5.5894 -4.3055 -4.3055 -4.3033 -4.3033 -3.1054 -3.1054 -2.9966 -2.9966 -2.7268 -2.7268 -2.6112 -2.6112 3.4798 3.4798 3.5109 3.5109 3.8653 3.8653 3.9091 3.9091 4.0130 4.0130 4.0586 4.0586 8.2487 8.2487 8.2535 8.2535 8.6237 8.6237 8.6326 8.6326 10.7595 10.7595 k = 0.3939 0.5000-0.0000 ( 14918 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4875 -18.4875 -18.4874 -18.4874 -18.3219 -18.3219 -18.3216 -18.3216 -18.2893 -18.2893 -18.2891 -18.2891 -15.3646 -15.3646 -15.3646 -15.3646 -5.5845 -5.5845 -5.5821 -5.5821 -4.3136 -4.3136 -4.3117 -4.3117 -3.1065 -3.1065 -3.0105 -3.0105 -2.7236 -2.7236 -2.6215 -2.6215 3.4850 3.4850 3.5128 3.5128 3.8733 3.8733 3.9192 3.9192 4.0042 4.0042 4.0518 4.0518 8.2700 8.2700 8.2739 8.2739 8.6149 8.6149 8.6228 8.6228 10.8059 10.8059 k = 0.4091 0.5000-0.0000 ( 14930 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4876 -18.4876 -18.4875 -18.4875 -18.3221 -18.3221 -18.3218 -18.3218 -18.2890 -18.2890 -18.2889 -18.2889 -15.3642 -15.3642 -15.3642 -15.3642 -5.5778 -5.5778 -5.5757 -5.5757 -4.3208 -4.3208 -4.3192 -4.3192 -3.1065 -3.1065 -3.0236 -3.0236 -2.7199 -2.7199 -2.6317 -2.6317 3.4900 3.4900 3.5143 3.5143 3.8802 3.8802 3.9268 3.9268 3.9977 3.9977 4.0456 4.0456 8.2896 8.2896 8.2928 8.2928 8.6071 8.6071 8.6140 8.6140 10.8446 10.8446 k = 0.4242 0.5000-0.0000 ( 14928 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4877 -18.4877 -18.4876 -18.4876 -18.3222 -18.3222 -18.3220 -18.3220 -18.2888 -18.2888 -18.2887 -18.2887 -15.3638 -15.3638 -15.3638 -15.3638 -5.5719 -5.5719 -5.5700 -5.5700 -4.3271 -4.3271 -4.3258 -4.3258 -3.1054 -3.1054 -3.0360 -3.0360 -2.7155 -2.7155 -2.6415 -2.6415 3.4947 3.4947 3.5154 3.5154 3.8862 3.8862 3.9307 3.9307 3.9945 3.9945 4.0400 4.0400 8.3070 8.3070 8.3095 8.3095 8.6005 8.6005 8.6063 8.6063 10.8758 10.8758 k = 0.4394 0.5000-0.0000 ( 14916 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4877 -18.4877 -18.4877 -18.4877 -18.3223 -18.3223 -18.3222 -18.3222 -18.2886 -18.2886 -18.2885 -18.2885 -15.3634 -15.3634 -15.3634 -15.3634 -5.5669 -5.5669 -5.5654 -5.5654 -4.3324 -4.3324 -4.3314 -4.3314 -3.1033 -3.1033 -3.0474 -3.0474 -2.7106 -2.7106 -2.6510 -2.6510 3.4991 3.4991 3.5160 3.5160 3.8915 3.8915 3.9305 3.9305 3.9952 3.9952 4.0349 4.0349 8.3219 8.3219 8.3238 8.3238 8.5950 8.5950 8.5997 8.5997 10.9001 10.9001 k = 0.4545 0.5000-0.0000 ( 14912 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4878 -18.4878 -18.4877 -18.4877 -18.3224 -18.3224 -18.3223 -18.3223 -18.2884 -18.2884 -18.2883 -18.2883 -15.3632 -15.3632 -15.3632 -15.3632 -5.5629 -5.5629 -5.5617 -5.5617 -4.3366 -4.3366 -4.3358 -4.3358 -3.1000 -3.1000 -3.0579 -3.0579 -2.7050 -2.7050 -2.6602 -2.6602 3.5032 3.5032 3.5160 3.5160 3.8965 3.8965 3.9272 3.9272 3.9987 3.9987 4.0300 4.0300 8.3339 8.3339 8.3352 8.3352 8.5909 8.5909 8.5944 8.5944 10.9183 10.9183 k = 0.4697 0.5000-0.0000 ( 14886 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4878 -18.4878 -18.4878 -18.4878 -18.3225 -18.3225 -18.3224 -18.3224 -18.2883 -18.2883 -18.2882 -18.2882 -15.3630 -15.3630 -15.3630 -15.3630 -5.5599 -5.5599 -5.5591 -5.5591 -4.3396 -4.3396 -4.3391 -4.3391 -3.0956 -3.0956 -3.0675 -3.0675 -2.6989 -2.6989 -2.6689 -2.6689 3.5068 3.5068 3.5155 3.5155 3.9013 3.9013 3.9223 3.9223 4.0038 4.0038 4.0251 4.0251 8.3427 8.3427 8.3436 8.3436 8.5880 8.5880 8.5904 8.5904 10.9312 10.9382 k = 0.4848 0.5000-0.0000 ( 14862 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4878 -18.4878 -18.4878 -18.4878 -18.3225 -18.3225 -18.3225 -18.3225 -18.2882 -18.2882 -18.2882 -18.2882 -15.3628 -15.3628 -15.3628 -15.3628 -5.5580 -5.5580 -5.5577 -5.5577 -4.3413 -4.3413 -4.3411 -4.3411 -3.0902 -3.0902 -3.0761 -3.0761 -2.6922 -2.6922 -2.6772 -2.6772 3.5099 3.5099 3.5142 3.5142 3.9062 3.9062 3.9169 3.9169 4.0093 4.0093 4.0201 4.0201 8.3482 8.3482 8.3486 8.3486 8.5865 8.5865 8.5877 8.5877 10.9393 10.9393 k = 0.5000 0.5000-0.0000 ( 14876 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4878 -18.4878 -18.4878 -18.4878 -18.3225 -18.3225 -18.3225 -18.3225 -18.2882 -18.2882 -18.2882 -18.2882 -15.3628 -15.3628 -15.3628 -15.3628 -5.5573 -5.5573 -5.5573 -5.5573 -4.3418 -4.3418 -4.3418 -4.3418 -3.0837 -3.0837 -3.0837 -3.0837 -2.6849 -2.6849 -2.6849 -2.6849 3.5124 3.5124 3.5124 3.5124 3.9114 3.9114 3.9114 3.9114 4.0148 4.0148 4.0148 4.0148 8.3502 8.3502 8.3502 8.3502 8.5864 8.5864 8.5864 8.5864 10.9431 10.9431 k = 0.5000 0.5000-0.0000 ( 14876 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4878 -18.4878 -18.4878 -18.4878 -18.3225 -18.3225 -18.3225 -18.3225 -18.2882 -18.2882 -18.2882 -18.2882 -15.3628 -15.3628 -15.3628 -15.3628 -5.5573 -5.5573 -5.5573 -5.5573 -4.3418 -4.3418 -4.3418 -4.3418 -3.0837 -3.0837 -3.0837 -3.0837 -2.6849 -2.6849 -2.6849 -2.6849 3.5124 3.5124 3.5124 3.5124 3.9114 3.9114 3.9114 3.9114 4.0148 4.0148 4.0148 4.0148 8.3502 8.3502 8.3502 8.3502 8.5864 8.5864 8.5864 8.5864 10.9431 10.9431 k = 0.4894 0.4894-0.0000 ( 14862 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4878 -18.4878 -18.4878 -18.4878 -18.3225 -18.3225 -18.3225 -18.3225 -18.2882 -18.2882 -18.2882 -18.2882 -15.3629 -15.3629 -15.3627 -15.3627 -5.5580 -5.5580 -5.5576 -5.5576 -4.3417 -4.3417 -4.3408 -4.3408 -3.0901 -3.0901 -3.0762 -3.0762 -2.6921 -2.6921 -2.6772 -2.6772 3.5098 3.5098 3.5144 3.5144 3.9062 3.9062 3.9168 3.9168 4.0094 4.0094 4.0200 4.0200 8.3468 8.3468 8.3500 8.3500 8.5850 8.5850 8.5893 8.5893 10.9393 10.9394 k = 0.4787 0.4787-0.0000 ( 14886 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4878 -18.4878 -18.4877 -18.4877 -18.3225 -18.3225 -18.3224 -18.3224 -18.2883 -18.2883 -18.2882 -18.2882 -15.3634 -15.3634 -15.3626 -15.3626 -5.5599 -5.5599 -5.5591 -5.5591 -4.3410 -4.3410 -4.3376 -4.3376 -3.0957 -3.0957 -3.0675 -3.0675 -2.6988 -2.6988 -2.6691 -2.6691 3.5058 3.5058 3.5165 3.5165 3.9010 3.9010 3.9225 3.9225 4.0041 4.0041 4.0248 4.0248 8.3370 8.3370 8.3496 8.3496 8.5809 8.5809 8.5974 8.5974 10.9315 10.9316 k = 0.4681 0.4681-0.0000 ( 14902 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4879 -18.4879 -18.4876 -18.4876 -18.3225 -18.3225 -18.3223 -18.3223 -18.2885 -18.2885 -18.2882 -18.2882 -15.3640 -15.3640 -15.3623 -15.3623 -5.5630 -5.5630 -5.5615 -5.5615 -4.3401 -4.3401 -4.3325 -4.3325 -3.1003 -3.1003 -3.0578 -3.0578 -2.7048 -2.7048 -2.6604 -2.6604 3.5002 3.5002 3.5193 3.5193 3.8953 3.8953 3.9281 3.9281 3.9997 3.9997 4.0291 4.0291 8.3213 8.3213 8.3489 8.3489 8.5742 8.5742 8.6107 8.6107 10.9199 10.9200 k = 0.4574 0.4574-0.0000 ( 14912 PWs) bands (ev): -46.4302 -46.4302 -46.4301 -46.4301 -18.4879 -18.4879 -18.4875 -18.4875 -18.3224 -18.3224 -18.3221 -18.3221 -18.2888 -18.2888 -18.2882 -18.2882 -15.3650 -15.3650 -15.3618 -15.3618 -5.5670 -5.5670 -5.5648 -5.5648 -4.3387 -4.3387 -4.3255 -4.3255 -3.1041 -3.1041 -3.0469 -3.0469 -2.7103 -2.7103 -2.6514 -2.6514 3.4931 3.4931 3.5230 3.5230 3.8886 3.8886 3.9328 3.9328 3.9972 3.9972 4.0331 4.0331 8.3005 8.3005 8.3480 8.3480 8.5650 8.5650 8.6287 8.6287 10.9047 10.9047 k = 0.4468 0.4468-0.0000 ( 14922 PWs) bands (ev): -46.4302 -46.4302 -46.4301 -46.4301 -18.4880 -18.4880 -18.4873 -18.4873 -18.3224 -18.3224 -18.3219 -18.3219 -18.2892 -18.2892 -18.2882 -18.2882 -15.3662 -15.3662 -15.3613 -15.3613 -5.5721 -5.5721 -5.5690 -5.5690 -4.3371 -4.3371 -4.3167 -4.3167 -3.1071 -3.1071 -3.0347 -3.0347 -2.7152 -2.7152 -2.6421 -2.6421 3.4848 3.4848 3.5275 3.5275 3.8801 3.8801 3.9363 3.9363 3.9975 3.9975 4.0368 4.0368 8.2757 8.2757 8.3469 8.3469 8.5535 8.5535 8.6509 8.6509 10.8860 10.8860 k = 0.4362 0.4362-0.0000 ( 14914 PWs) bands (ev): -46.4303 -46.4303 -46.4301 -46.4301 -18.4880 -18.4880 -18.4871 -18.4871 -18.3223 -18.3223 -18.3216 -18.3216 -18.2896 -18.2896 -18.2883 -18.2883 -15.3677 -15.3677 -15.3606 -15.3606 -5.5780 -5.5780 -5.5740 -5.5740 -4.3351 -4.3351 -4.3062 -4.3062 -3.1095 -3.1095 -3.0212 -3.0212 -2.7195 -2.7195 -2.6326 -2.6326 3.4754 3.4754 3.5330 3.5330 3.8695 3.8695 3.9384 3.9384 4.0009 4.0009 4.0402 4.0402 8.2481 8.2481 8.3456 8.3456 8.5400 8.5400 8.6766 8.6766 10.8636 10.8636 k = 0.4255 0.4255-0.0000 ( 14898 PWs) bands (ev): -46.4303 -46.4303 -46.4301 -46.4301 -18.4881 -18.4881 -18.4868 -18.4868 -18.3222 -18.3222 -18.3213 -18.3213 -18.2900 -18.2900 -18.2883 -18.2883 -15.3695 -15.3695 -15.3598 -15.3598 -5.5846 -5.5846 -5.5797 -5.5797 -4.3330 -4.3330 -4.2944 -4.2944 -3.1113 -3.1113 -3.0065 -3.0065 -2.7231 -2.7231 -2.6229 -2.6229 3.4655 3.4655 3.5394 3.5394 3.8567 3.8567 3.9396 3.9396 4.0066 4.0066 4.0436 4.0436 8.2190 8.2190 8.3443 8.3443 8.5247 8.5247 8.7050 8.7050 10.8374 10.8374 k = 0.4149 0.4149-0.0000 ( 14898 PWs) bands (ev): -46.4303 -46.4303 -46.4300 -46.4300 -18.4882 -18.4882 -18.4865 -18.4865 -18.3221 -18.3221 -18.3209 -18.3209 -18.2906 -18.2906 -18.2883 -18.2883 -15.3714 -15.3714 -15.3590 -15.3590 -5.5918 -5.5918 -5.5860 -5.5860 -4.3306 -4.3306 -4.2813 -4.2813 -3.1126 -3.1126 -2.9905 -2.9905 -2.7261 -2.7261 -2.6131 -2.6131 3.4552 3.4552 3.5468 3.5468 3.8419 3.8419 3.9407 3.9407 4.0134 4.0134 4.0470 4.0470 8.1898 8.1898 8.3428 8.3428 8.5079 8.5079 8.7352 8.7352 10.8066 10.8066 k = 0.4043 0.4043-0.0000 ( 14902 PWs) bands (ev): -46.4304 -46.4304 -46.4300 -46.4300 -18.4883 -18.4883 -18.4862 -18.4862 -18.3220 -18.3220 -18.3205 -18.3205 -18.2912 -18.2912 -18.2883 -18.2883 -15.3737 -15.3737 -15.3580 -15.3580 -5.5995 -5.5995 -5.5928 -5.5928 -4.3282 -4.3282 -4.2672 -4.2672 -3.1135 -3.1135 -2.9732 -2.9732 -2.7285 -2.7285 -2.6035 -2.6035 3.4450 3.4450 3.5550 3.5550 3.8256 3.8256 3.9422 3.9422 4.0205 4.0205 4.0503 4.0503 8.1618 8.1618 8.3413 8.3413 8.4899 8.4899 8.7662 8.7662 10.7706 10.7706 k = 0.3936 0.3936-0.0000 ( 14914 PWs) bands (ev): -46.4304 -46.4304 -46.4299 -46.4299 -18.4884 -18.4884 -18.4859 -18.4859 -18.3219 -18.3219 -18.3200 -18.3200 -18.2918 -18.2918 -18.2884 -18.2884 -15.3761 -15.3761 -15.3569 -15.3569 -5.6074 -5.6074 -5.5999 -5.5999 -4.3257 -4.3257 -4.2522 -4.2522 -3.1140 -3.1140 -2.9546 -2.9546 -2.7303 -2.7303 -2.5939 -2.5939 3.4350 3.4350 3.5642 3.5642 3.8084 3.8084 3.9441 3.9441 4.0271 4.0271 4.0536 4.0536 8.1361 8.1361 8.3399 8.3399 8.4711 8.4711 8.7970 8.7970 10.7268 10.7268 k = 0.3830 0.3830-0.0000 ( 14910 PWs) bands (ev): -46.4305 -46.4305 -46.4299 -46.4299 -18.4886 -18.4886 -18.4855 -18.4855 -18.3218 -18.3218 -18.3195 -18.3195 -18.2925 -18.2925 -18.2884 -18.2884 -15.3788 -15.3788 -15.3557 -15.3557 -5.6156 -5.6156 -5.6072 -5.6072 -4.3232 -4.3232 -4.2365 -4.2365 -3.1143 -3.1143 -2.9348 -2.9348 -2.7316 -2.7316 -2.5847 -2.5847 3.4255 3.4255 3.5742 3.5742 3.7908 3.7908 3.9466 3.9466 4.0328 4.0328 4.0567 4.0567 8.1138 8.1138 8.3384 8.3384 8.4517 8.4517 8.8267 8.8267 10.6673 10.6673 k = 0.3723 0.3723-0.0000 ( 14910 PWs) bands (ev): -46.4305 -46.4305 -46.4298 -46.4298 -18.4887 -18.4887 -18.4852 -18.4852 -18.3217 -18.3217 -18.3190 -18.3190 -18.2933 -18.2933 -18.2884 -18.2884 -15.3816 -15.3816 -15.3544 -15.3544 -5.6239 -5.6239 -5.6147 -5.6147 -4.3208 -4.3208 -4.2204 -4.2204 -3.1143 -3.1143 -2.9139 -2.9139 -2.7322 -2.7322 -2.5758 -2.5758 3.4168 3.4168 3.5851 3.5851 3.7734 3.7734 3.9497 3.9497 4.0372 4.0372 4.0593 4.0593 8.0959 8.0959 8.3369 8.3369 8.4322 8.4322 8.8545 8.8545 10.5836 10.5836 k = 0.3617 0.3617-0.0000 ( 14910 PWs) bands (ev): -46.4306 -46.4306 -46.4298 -46.4298 -18.4888 -18.4888 -18.4847 -18.4847 -18.3215 -18.3215 -18.3185 -18.3185 -18.2941 -18.2941 -18.2884 -18.2884 -15.3847 -15.3847 -15.3531 -15.3531 -5.6321 -5.6321 -5.6221 -5.6221 -4.3186 -4.3186 -4.2040 -4.2040 -3.1141 -3.1141 -2.8920 -2.8920 -2.7324 -2.7324 -2.5674 -2.5674 3.4090 3.4090 3.5968 3.5968 3.7567 3.7567 3.9534 3.9534 4.0403 4.0403 4.0616 4.0616 8.0830 8.0830 8.3354 8.3354 8.4127 8.4127 8.8796 8.8796 10.4752 10.4752 k = 0.3511 0.3511-0.0000 ( 14914 PWs) bands (ev): -46.4306 -46.4306 -46.4297 -46.4297 -18.4890 -18.4890 -18.4843 -18.4843 -18.3214 -18.3214 -18.3179 -18.3179 -18.2949 -18.2949 -18.2885 -18.2885 -15.3879 -15.3879 -15.3516 -15.3516 -5.6402 -5.6402 -5.6293 -5.6293 -4.3165 -4.3165 -4.1874 -4.1874 -3.1137 -3.1137 -2.8692 -2.8692 -2.7321 -2.7321 -2.5595 -2.5595 3.4023 3.4023 3.6093 3.6093 3.7411 3.7411 3.9576 3.9576 4.0413 4.0413 4.0636 4.0636 8.0755 8.0755 8.3338 8.3338 8.3938 8.3938 8.9016 8.9016 10.3498 10.3498 k = 0.3404 0.3404-0.0000 ( 14906 PWs) bands (ev): -46.4307 -46.4307 -46.4297 -46.4297 -18.4892 -18.4892 -18.4839 -18.4839 -18.3212 -18.3212 -18.3172 -18.3172 -18.2958 -18.2958 -18.2885 -18.2885 -15.3914 -15.3914 -15.3501 -15.3501 -5.6481 -5.6481 -5.6362 -5.6362 -4.3147 -4.3147 -4.1708 -4.1708 -3.1132 -3.1132 -2.8458 -2.8458 -2.7313 -2.7313 -2.5523 -2.5523 3.3968 3.3968 3.6225 3.6225 3.7269 3.7269 3.9623 3.9623 4.0397 4.0397 4.0660 4.0660 8.0735 8.0735 8.3319 8.3319 8.3760 8.3760 8.9201 8.9201 10.2197 10.2197 k = 0.3298 0.3298-0.0000 ( 14888 PWs) bands (ev): -46.4308 -46.4308 -46.4296 -46.4296 -18.4894 -18.4894 -18.4834 -18.4834 -18.3211 -18.3211 -18.3166 -18.3166 -18.2967 -18.2967 -18.2884 -18.2884 -15.3949 -15.3949 -15.3486 -15.3486 -5.6558 -5.6558 -5.6428 -5.6428 -4.3131 -4.3131 -4.1542 -4.1542 -3.1124 -3.1124 -2.8221 -2.8221 -2.7300 -2.7300 -2.5457 -2.5457 3.3928 3.3928 3.6364 3.6364 3.7146 3.7146 3.9676 3.9676 4.0351 4.0351 4.0691 4.0691 8.0768 8.0768 8.3297 8.3297 8.3602 8.3602 8.9349 8.9349 10.0898 10.0898 k = 0.3191 0.3191-0.0000 ( 14882 PWs) bands (ev): -46.4308 -46.4308 -46.4295 -46.4295 -18.4896 -18.4896 -18.4829 -18.4829 -18.3209 -18.3209 -18.3159 -18.3159 -18.2976 -18.2976 -18.2884 -18.2884 -15.3986 -15.3986 -15.3470 -15.3470 -5.6631 -5.6631 -5.6488 -5.6488 -4.3119 -4.3119 -4.1378 -4.1378 -3.1115 -3.1115 -2.7986 -2.7986 -2.7281 -2.7281 -2.5397 -2.5397 3.3903 3.3903 3.6507 3.6507 3.7046 3.7046 3.9732 3.9732 4.0277 4.0277 4.0729 4.0729 8.0842 8.0842 8.3267 8.3267 8.3477 8.3477 8.9462 8.9462 9.9621 9.9621 k = 0.3085 0.3085-0.0000 ( 14880 PWs) bands (ev): -46.4309 -46.4309 -46.4295 -46.4295 -18.4898 -18.4898 -18.4825 -18.4825 -18.3208 -18.3208 -18.3152 -18.3152 -18.2986 -18.2986 -18.2884 -18.2884 -15.4024 -15.4024 -15.3453 -15.3453 -5.6701 -5.6701 -5.6543 -5.6543 -4.3110 -4.3110 -4.1217 -4.1217 -3.1103 -3.1103 -2.7763 -2.7763 -2.7248 -2.7248 -2.5343 -2.5343 3.3896 3.3896 3.6649 3.6649 3.6974 3.6974 3.9792 3.9792 4.0176 4.0176 4.0772 4.0772 8.0936 8.0936 8.3222 8.3222 8.3409 8.3409 8.9541 8.9541 9.8380 9.8380 k = 0.2979 0.2979-0.0000 ( 14876 PWs) bands (ev): -46.4310 -46.4310 -46.4294 -46.4294 -18.4900 -18.4900 -18.4820 -18.4820 -18.3206 -18.3206 -18.3145 -18.3145 -18.2996 -18.2996 -18.2883 -18.2883 -15.4063 -15.4063 -15.3436 -15.3436 -5.6766 -5.6766 -5.6591 -5.6591 -4.3105 -4.3105 -4.1060 -4.1060 -3.1089 -3.1089 -2.7578 -2.7578 -2.7181 -2.7181 -2.5294 -2.5294 3.3906 3.3906 3.6766 3.6766 3.6959 3.6959 3.9848 3.9848 4.0061 4.0061 4.0821 4.0821 8.1019 8.1019 8.3158 8.3158 8.3430 8.3430 8.9589 8.9589 9.7185 9.7185 k = 0.2872 0.2872-0.0000 ( 14874 PWs) bands (ev): -46.4311 -46.4311 -46.4293 -46.4293 -18.4903 -18.4903 -18.4815 -18.4815 -18.3205 -18.3205 -18.3138 -18.3138 -18.3005 -18.3005 -18.2882 -18.2882 -15.4102 -15.4102 -15.3419 -15.3419 -5.6826 -5.6826 -5.6633 -5.6633 -4.3104 -4.3104 -4.0907 -4.0907 -3.1072 -3.1072 -2.7467 -2.7467 -2.7046 -2.7046 -2.5248 -2.5248 3.3936 3.3936 3.6803 3.6803 3.7052 3.7052 3.9838 3.9838 3.9994 3.9994 4.0873 4.0873 8.1052 8.1052 8.3072 8.3072 8.3569 8.3569 8.9610 8.9610 9.6048 9.6048 k = 0.2766 0.2766-0.0000 ( 14882 PWs) bands (ev): -46.4311 -46.4311 -46.4292 -46.4292 -18.4905 -18.4905 -18.4810 -18.4810 -18.3204 -18.3204 -18.3131 -18.3131 -18.3015 -18.3015 -18.2881 -18.2881 -15.4143 -15.4143 -15.3401 -15.3401 -5.6880 -5.6880 -5.6668 -5.6668 -4.3107 -4.3107 -4.0758 -4.0758 -3.1052 -3.1052 -2.7425 -2.7425 -2.6854 -2.6854 -2.5205 -2.5205 3.3986 3.3986 3.6810 3.6810 3.7206 3.7206 3.9699 3.9699 4.0043 4.0043 4.0929 4.0929 8.1010 8.1010 8.2955 8.2955 8.3848 8.3848 8.9607 8.9607 9.4983 9.4983 k = 0.2660 0.2660-0.0000 ( 14874 PWs) bands (ev): -46.4312 -46.4312 -46.4292 -46.4292 -18.4908 -18.4908 -18.4806 -18.4806 -18.3202 -18.3202 -18.3124 -18.3124 -18.3025 -18.3025 -18.2880 -18.2880 -15.4184 -15.4184 -15.3383 -15.3383 -5.6928 -5.6928 -5.6697 -5.6697 -4.3113 -4.3113 -4.0614 -4.0614 -3.1030 -3.1030 -2.7420 -2.7420 -2.6643 -2.6643 -2.5161 -2.5161 3.4057 3.4057 3.6828 3.6828 3.7378 3.7378 3.9522 3.9522 4.0121 4.0121 4.0989 4.0989 8.0890 8.0890 8.2794 8.2794 8.4265 8.4265 8.9582 8.9582 9.4005 9.4005 k = 0.2553 0.2553-0.0000 ( 14866 PWs) bands (ev): -46.4313 -46.4313 -46.4291 -46.4291 -18.4910 -18.4910 -18.4801 -18.4801 -18.3201 -18.3201 -18.3117 -18.3117 -18.3034 -18.3034 -18.2878 -18.2878 -15.4225 -15.4225 -15.3366 -15.3366 -5.6969 -5.6969 -5.6718 -5.6718 -4.3124 -4.3124 -4.0476 -4.0476 -3.1005 -3.1005 -2.7435 -2.7435 -2.6431 -2.6431 -2.5115 -2.5115 3.4149 3.4149 3.6867 3.6867 3.7557 3.7557 3.9331 3.9331 4.0207 4.0207 4.1053 4.1053 8.0705 8.0705 8.2575 8.2575 8.4801 8.4801 8.9538 8.9538 9.3129 9.3129 k = 0.2447 0.2447-0.0000 ( 14860 PWs) bands (ev): -46.4314 -46.4314 -46.4290 -46.4290 -18.4913 -18.4913 -18.4796 -18.4796 -18.3200 -18.3200 -18.3110 -18.3110 -18.3043 -18.3043 -18.2877 -18.2877 -15.4266 -15.4266 -15.3348 -15.3348 -5.7003 -5.7003 -5.6733 -5.6733 -4.3138 -4.3138 -4.0343 -4.0343 -3.0977 -3.0977 -2.7467 -2.7467 -2.6228 -2.6228 -2.5064 -2.5064 3.4260 3.4260 3.6926 3.6926 3.7742 3.7742 3.9134 3.9134 4.0299 4.0299 4.1120 4.1120 8.0466 8.0466 8.2287 8.2287 8.5436 8.5436 8.9475 8.9475 9.2371 9.2371 k = 0.2340 0.2340-0.0000 ( 14870 PWs) bands (ev): -46.4314 -46.4314 -46.4289 -46.4289 -18.4916 -18.4916 -18.4792 -18.4792 -18.3200 -18.3200 -18.3104 -18.3104 -18.3051 -18.3051 -18.2875 -18.2875 -15.4307 -15.4307 -15.3330 -15.3330 -5.7030 -5.7030 -5.6742 -5.6742 -4.3155 -4.3155 -4.0217 -4.0217 -3.0947 -3.0947 -2.7514 -2.7514 -2.6038 -2.6038 -2.5006 -2.5006 3.4391 3.4391 3.7005 3.7005 3.7931 3.7931 3.8936 3.8936 4.0396 4.0396 4.1190 4.1190 8.0183 8.0183 8.1919 8.1919 8.6151 8.6151 8.9396 8.9396 9.1743 9.1743 k = 0.2234 0.2234-0.0000 ( 14888 PWs) bands (ev): -46.4315 -46.4315 -46.4289 -46.4289 -18.4919 -18.4919 -18.4788 -18.4788 -18.3200 -18.3200 -18.3098 -18.3098 -18.3060 -18.3060 -18.2872 -18.2872 -15.4348 -15.4348 -15.3312 -15.3312 -5.7050 -5.7050 -5.6745 -5.6745 -4.3176 -4.3176 -4.0097 -4.0097 -3.0914 -3.0914 -2.7575 -2.7575 -2.5865 -2.5865 -2.4939 -2.4939 3.4538 3.4538 3.7103 3.7103 3.8123 3.8123 3.8746 3.8746 4.0496 4.0496 4.1262 4.1262 7.9859 7.9859 8.1466 8.1466 8.6931 8.6931 8.9299 8.9299 9.1253 9.1253 k = 0.2128 0.2128-0.0000 ( 14862 PWs) bands (ev): -46.4316 -46.4316 -46.4288 -46.4288 -18.4921 -18.4921 -18.4784 -18.4784 -18.3200 -18.3200 -18.3092 -18.3092 -18.3067 -18.3067 -18.2869 -18.2869 -15.4388 -15.4388 -15.3295 -15.3295 -5.7063 -5.7063 -5.6743 -5.6743 -4.3199 -4.3199 -3.9983 -3.9983 -3.0879 -3.0879 -2.7649 -2.7649 -2.5710 -2.5710 -2.4864 -2.4864 3.4697 3.4697 3.7217 3.7217 3.8315 3.8315 3.8570 3.8570 4.0600 4.0600 4.1337 4.1337 7.9498 7.9498 8.0932 8.0932 8.7762 8.7762 8.9185 8.9185 9.0899 9.0899 k = 0.2021 0.2021-0.0000 ( 14860 PWs) bands (ev): -46.4317 -46.4317 -46.4287 -46.4287 -18.4924 -18.4924 -18.4780 -18.4780 -18.3200 -18.3200 -18.3087 -18.3087 -18.3075 -18.3075 -18.2866 -18.2866 -15.4428 -15.4428 -15.3278 -15.3278 -5.7068 -5.7068 -5.6735 -5.6735 -4.3225 -4.3225 -3.9877 -3.9877 -3.0842 -3.0842 -2.7736 -2.7736 -2.5572 -2.5572 -2.4780 -2.4780 3.4862 3.4862 3.7346 3.7346 3.8408 3.8408 3.8520 3.8520 4.0706 4.0706 4.1413 4.1413 7.9100 7.9100 8.0326 8.0326 8.8629 8.8629 8.9061 8.9061 9.0673 9.0673 k = 0.1915 0.1915-0.0000 ( 14862 PWs) bands (ev): -46.4317 -46.4317 -46.4287 -46.4287 -18.4928 -18.4928 -18.4776 -18.4776 -18.3201 -18.3201 -18.3082 -18.3082 -18.3081 -18.3081 -18.2863 -18.2863 -15.4466 -15.4466 -15.3261 -15.3261 -5.7067 -5.7067 -5.6723 -5.6723 -4.3253 -4.3253 -3.9776 -3.9776 -3.0804 -3.0804 -2.7833 -2.7833 -2.5452 -2.5452 -2.4692 -2.4692 3.5023 3.5023 3.7485 3.7485 3.8297 3.8297 3.8711 3.8711 4.0813 4.0813 4.1489 4.1489 7.8666 7.8666 7.9665 7.9665 8.8930 8.8930 8.9517 8.9517 9.0566 9.0566 k = 0.1809 0.1809-0.0000 ( 14882 PWs) bands (ev): -46.4318 -46.4318 -46.4286 -46.4286 -18.4931 -18.4931 -18.4772 -18.4772 -18.3202 -18.3202 -18.3088 -18.3088 -18.3077 -18.3077 -18.2859 -18.2859 -15.4504 -15.4504 -15.3245 -15.3245 -5.7059 -5.7059 -5.6708 -5.6708 -4.3283 -4.3283 -3.9683 -3.9683 -3.0766 -3.0766 -2.7939 -2.7939 -2.5344 -2.5344 -2.4603 -2.4603 3.5167 3.5167 3.7631 3.7631 3.8234 3.8234 3.8906 3.8906 4.0920 4.0920 4.1566 4.1566 7.8197 7.8197 7.8966 7.8966 8.8811 8.8811 9.0344 9.0344 9.0620 9.0620 k = 0.1702 0.1702-0.0000 ( 14879 PWs) bands (ev): -46.4319 -46.4319 -46.4285 -46.4285 -18.4934 -18.4934 -18.4769 -18.4769 -18.3204 -18.3204 -18.3093 -18.3093 -18.3073 -18.3073 -18.2855 -18.2855 -15.4541 -15.4541 -15.3230 -15.3230 -5.7044 -5.7044 -5.6689 -5.6689 -4.3315 -4.3315 -3.9596 -3.9596 -3.0728 -3.0728 -2.8051 -2.8051 -2.5248 -2.5248 -2.4516 -2.4516 3.5281 3.5281 3.7780 3.7780 3.8241 3.8241 3.9099 3.9099 4.1026 4.1026 4.1641 4.1641 7.7693 7.7693 7.8245 7.8245 8.8716 8.8716 9.0571 9.0571 9.1239 9.1239 k = 0.1596 0.1596-0.0000 ( 14873 PWs) bands (ev): -46.4319 -46.4319 -46.4285 -46.4285 -18.4936 -18.4936 -18.4766 -18.4766 -18.3206 -18.3206 -18.3097 -18.3097 -18.3069 -18.3069 -18.2851 -18.2851 -15.4576 -15.4576 -15.3215 -15.3215 -5.7024 -5.7024 -5.6668 -5.6668 -4.3347 -4.3347 -3.9516 -3.9516 -3.0691 -3.0691 -2.8167 -2.8167 -2.5160 -2.5160 -2.4435 -2.4435 3.5352 3.5352 3.7928 3.7928 3.8330 3.8330 3.9290 3.9290 4.1128 4.1128 4.1715 4.1715 7.7158 7.7158 7.7517 7.7517 8.8662 8.8662 9.0710 9.0710 9.1219 9.1219 k = 0.1489 0.1489-0.0000 ( 14881 PWs) bands (ev): -46.4320 -46.4320 -46.4284 -46.4284 -18.4939 -18.4939 -18.4762 -18.4762 -18.3208 -18.3208 -18.3101 -18.3101 -18.3066 -18.3066 -18.2846 -18.2846 -15.4610 -15.4610 -15.3200 -15.3200 -5.6999 -5.6999 -5.6645 -5.6645 -4.3380 -4.3380 -3.9443 -3.9443 -3.0656 -3.0656 -2.8284 -2.8284 -2.5078 -2.5078 -2.4361 -2.4361 3.5375 3.5375 3.8082 3.8082 3.8499 3.8499 3.9477 3.9477 4.1226 4.1226 4.1787 4.1787 7.6594 7.6594 7.6795 7.6795 8.8660 8.8660 9.0895 9.0895 9.1166 9.1166 k = 0.1383 0.1383-0.0000 ( 14869 PWs) bands (ev): -46.4321 -46.4321 -46.4283 -46.4283 -18.4942 -18.4942 -18.4759 -18.4759 -18.3211 -18.3211 -18.3104 -18.3104 -18.3063 -18.3063 -18.2842 -18.2842 -15.4642 -15.4642 -15.3187 -15.3187 -5.6969 -5.6969 -5.6620 -5.6620 -4.3413 -4.3413 -3.9376 -3.9376 -3.0624 -3.0624 -2.8400 -2.8400 -2.5002 -2.5002 -2.4297 -2.4297 3.5355 3.5355 3.8248 3.8248 3.8732 3.8732 3.9659 3.9659 4.1317 4.1317 4.1856 4.1856 7.6004 7.6004 7.6092 7.6092 8.8719 8.8719 9.1109 9.1109 9.1156 9.1156 k = 0.1277 0.1277-0.0000 ( 14877 PWs) bands (ev): -46.4321 -46.4321 -46.4283 -46.4283 -18.4945 -18.4945 -18.4757 -18.4757 -18.3214 -18.3214 -18.3107 -18.3107 -18.3060 -18.3060 -18.2838 -18.2838 -15.4673 -15.4673 -15.3174 -15.3174 -5.6935 -5.6935 -5.6596 -5.6596 -4.3447 -4.3447 -3.9316 -3.9316 -3.0596 -3.0596 -2.8512 -2.8512 -2.4931 -2.4931 -2.4243 -2.4243 3.5300 3.5300 3.8424 3.8424 3.9017 3.9017 3.9835 3.9835 4.1398 4.1398 4.1924 4.1924 7.5385 7.5385 7.5425 7.5425 8.8846 8.8846 9.1140 9.1140 9.1383 9.1383 k = 0.1170 0.1170-0.0000 ( 14873 PWs) bands (ev): -46.4322 -46.4322 -46.4282 -46.4282 -18.4947 -18.4947 -18.4754 -18.4754 -18.3217 -18.3217 -18.3109 -18.3109 -18.3058 -18.3058 -18.2833 -18.2833 -15.4701 -15.4701 -15.3162 -15.3162 -5.6898 -5.6898 -5.6572 -5.6572 -4.3479 -4.3479 -3.9261 -3.9261 -3.0572 -3.0572 -2.8618 -2.8618 -2.4864 -2.4864 -2.4198 -2.4198 3.5222 3.5222 3.8606 3.8606 3.9341 3.9341 4.0002 4.0002 4.1468 4.1468 4.1991 4.1991 7.4747 7.4747 7.4798 7.4798 8.9042 8.9042 9.1164 9.1164 9.1637 9.1637 k = 0.1064 0.1064-0.0000 ( 14867 PWs) bands (ev): -46.4322 -46.4322 -46.4282 -46.4282 -18.4949 -18.4949 -18.4752 -18.4752 -18.3220 -18.3220 -18.3110 -18.3110 -18.3056 -18.3056 -18.2829 -18.2829 -15.4728 -15.4728 -15.3151 -15.3151 -5.6859 -5.6859 -5.6548 -5.6548 -4.3511 -4.3511 -3.9213 -3.9213 -3.0553 -3.0553 -2.8715 -2.8715 -2.4802 -2.4802 -2.4162 -2.4162 3.5132 3.5132 3.8788 3.8788 3.9691 3.9691 4.0162 4.0162 4.1524 4.1524 4.2058 4.2058 7.4135 7.4135 7.4181 7.4181 8.9306 8.9306 9.1190 9.1190 9.1371 9.1371 k = 0.0957 0.0957-0.0000 ( 14863 PWs) bands (ev): -46.4323 -46.4323 -46.4281 -46.4281 -18.4951 -18.4951 -18.4750 -18.4750 -18.3223 -18.3223 -18.3111 -18.3111 -18.3054 -18.3054 -18.2825 -18.2825 -15.4752 -15.4752 -15.3140 -15.3140 -5.6819 -5.6819 -5.6527 -5.6527 -4.3542 -4.3542 -3.9170 -3.9170 -3.0540 -3.0540 -2.8802 -2.8802 -2.4745 -2.4745 -2.4135 -2.4135 3.5036 3.5036 3.8968 3.8968 4.0046 4.0046 4.0318 4.0318 4.1565 4.1565 4.2126 4.2126 7.3549 7.3549 7.3588 7.3588 8.9628 8.9628 9.0817 9.0817 9.1291 9.1291 k = 0.0851 0.0851-0.0000 ( 14853 PWs) bands (ev): -46.4323 -46.4323 -46.4281 -46.4281 -18.4953 -18.4953 -18.4748 -18.4748 -18.3226 -18.3226 -18.3112 -18.3112 -18.3053 -18.3053 -18.2821 -18.2821 -15.4774 -15.4774 -15.3131 -15.3131 -5.6779 -5.6779 -5.6507 -5.6507 -4.3571 -4.3571 -3.9132 -3.9132 -3.0533 -3.0533 -2.8879 -2.8879 -2.4694 -2.4694 -2.4114 -2.4114 3.4942 3.4942 3.9147 3.9147 4.0342 4.0342 4.0516 4.0516 4.1594 4.1594 4.2195 4.2195 7.2965 7.2965 7.3060 7.3060 8.9988 8.9988 9.0349 9.0349 9.1385 9.1385 k = 0.0745 0.0745-0.0000 ( 14839 PWs) bands (ev): -46.4323 -46.4323 -46.4281 -46.4281 -18.4955 -18.4955 -18.4747 -18.4747 -18.3229 -18.3229 -18.3113 -18.3113 -18.3051 -18.3051 -18.2818 -18.2818 -15.4794 -15.4794 -15.3123 -15.3123 -5.6739 -5.6739 -5.6490 -5.6490 -4.3597 -4.3597 -3.9099 -3.9099 -3.0531 -3.0531 -2.8943 -2.8943 -2.4648 -2.4648 -2.4100 -2.4100 3.4852 3.4852 3.9321 3.9321 4.0497 4.0497 4.0819 4.0819 4.1616 4.1616 4.2267 4.2267 7.2403 7.2403 7.2590 7.2590 8.9902 8.9902 9.0382 9.0382 9.1537 9.1537 k = 0.0638 0.0638-0.0000 ( 14845 PWs) bands (ev): -46.4324 -46.4324 -46.4280 -46.4280 -18.4957 -18.4957 -18.4745 -18.4745 -18.3231 -18.3231 -18.3113 -18.3113 -18.3050 -18.3050 -18.2815 -18.2815 -15.4811 -15.4811 -15.3116 -15.3116 -5.6700 -5.6700 -5.6476 -5.6476 -4.3622 -4.3622 -3.9072 -3.9072 -3.0534 -3.0534 -2.8996 -2.8996 -2.4607 -2.4607 -2.4090 -2.4090 3.4771 3.4771 3.9491 3.9491 4.0593 4.0593 4.1117 4.1117 4.1643 4.1643 4.2342 4.2342 7.1882 7.1882 7.2177 7.2177 8.9530 8.9530 9.0701 9.0701 9.1790 9.1790 k = 0.0532 0.0532-0.0000 ( 14839 PWs) bands (ev): -46.4324 -46.4324 -46.4280 -46.4280 -18.4958 -18.4958 -18.4744 -18.4744 -18.3233 -18.3233 -18.3114 -18.3114 -18.3050 -18.3050 -18.2812 -18.2812 -15.4826 -15.4826 -15.3109 -15.3109 -5.6664 -5.6664 -5.6465 -5.6465 -4.3643 -4.3643 -3.9049 -3.9049 -3.0540 -3.0540 -2.9038 -2.9038 -2.4573 -2.4573 -2.4084 -2.4084 3.4699 3.4699 3.9653 3.9653 4.0656 4.0656 4.1341 4.1341 4.1705 4.1705 4.2421 4.2421 7.1413 7.1413 7.1822 7.1822 8.9210 8.9210 9.0923 9.0923 9.2174 9.2174 k = 0.0426 0.0426-0.0000 ( 14837 PWs) bands (ev): -46.4324 -46.4324 -46.4280 -46.4280 -18.4959 -18.4959 -18.4743 -18.4743 -18.3235 -18.3235 -18.3114 -18.3114 -18.3049 -18.3049 -18.2810 -18.2810 -15.4838 -15.4838 -15.3104 -15.3104 -5.6632 -5.6632 -5.6457 -5.6457 -4.3661 -4.3661 -3.9030 -3.9030 -3.0548 -3.0548 -2.9070 -2.9070 -2.4545 -2.4545 -2.4080 -2.4080 3.4638 3.4638 3.9807 3.9807 4.0689 4.0689 4.1447 4.1447 4.1831 4.1831 4.2508 4.2508 7.1010 7.1010 7.1529 7.1529 8.8945 8.8945 9.1057 9.1057 9.2646 9.2646 k = 0.0319 0.0319-0.0000 ( 14831 PWs) bands (ev): -46.4324 -46.4324 -46.4280 -46.4280 -18.4960 -18.4960 -18.4742 -18.4742 -18.3236 -18.3236 -18.3114 -18.3114 -18.3048 -18.3048 -18.2808 -18.2808 -15.4847 -15.4847 -15.3100 -15.3100 -5.6604 -5.6604 -5.6453 -5.6453 -4.3675 -4.3675 -3.9016 -3.9016 -3.0557 -3.0557 -2.9093 -2.9093 -2.4523 -2.4523 -2.4078 -2.4078 3.4590 3.4590 3.9948 3.9948 4.0693 4.0693 4.1483 4.1483 4.1966 4.1966 4.2598 4.2598 7.0683 7.0683 7.1298 7.1298 8.8738 8.8738 9.1138 9.1138 9.3124 9.3124 k = 0.0213 0.0213-0.0000 ( 14849 PWs) bands (ev): -46.4325 -46.4325 -46.4279 -46.4279 -18.4961 -18.4961 -18.4742 -18.4742 -18.3237 -18.3237 -18.3114 -18.3114 -18.3048 -18.3048 -18.2807 -18.2807 -15.4854 -15.4854 -15.3098 -15.3098 -5.6582 -5.6582 -5.6452 -5.6452 -4.3686 -4.3686 -3.9006 -3.9006 -3.0564 -3.0564 -2.9109 -2.9109 -2.4507 -2.4507 -2.4077 -2.4077 3.4555 3.4555 4.0068 4.0068 4.0675 4.0675 4.1497 4.1497 4.2064 4.2064 4.2683 4.2683 7.0441 7.0441 7.1132 7.1132 8.8589 8.8589 9.1187 9.1187 9.3518 9.3518 k = 0.0106 0.0106-0.0000 ( 14859 PWs) bands (ev): -46.4325 -46.4325 -46.4279 -46.4279 -18.4961 -18.4961 -18.4742 -18.4742 -18.3238 -18.3238 -18.3114 -18.3114 -18.3048 -18.3048 -18.2806 -18.2806 -15.4858 -15.4858 -15.3096 -15.3096 -5.6568 -5.6568 -5.6452 -5.6452 -4.3692 -4.3692 -3.9000 -3.9000 -3.0568 -3.0568 -2.9118 -2.9118 -2.4498 -2.4498 -2.4077 -2.4077 3.4534 3.4534 4.0156 4.0156 4.0647 4.0647 4.1503 4.1503 4.2119 4.2119 4.2743 4.2743 7.0293 7.0293 7.1032 7.1032 8.8499 8.8499 9.1214 9.1214 9.3755 9.3755 k = 0.0000 0.0000 0.0000 ( 14863 PWs) bands (ev): -46.4325 -46.4325 -46.4279 -46.4279 -18.4961 -18.4961 -18.4742 -18.4742 -18.3238 -18.3238 -18.3114 -18.3114 -18.3048 -18.3048 -18.2806 -18.2806 -15.4860 -15.4860 -15.3095 -15.3095 -5.6563 -5.6563 -5.6452 -5.6452 -4.3694 -4.3694 -3.8998 -3.8998 -3.0570 -3.0570 -2.9121 -2.9121 -2.4495 -2.4495 -2.4077 -2.4077 3.4527 3.4527 4.0190 4.0190 4.0632 4.0632 4.1505 4.1505 4.2137 4.2137 4.2765 4.2765 7.0243 7.0243 7.0999 7.0999 8.8469 8.8469 9.1223 9.1223 9.3829 9.3829 k = 0.0000 0.0000 0.0000 ( 14863 PWs) bands (ev): -46.4325 -46.4325 -46.4279 -46.4279 -18.4961 -18.4961 -18.4742 -18.4742 -18.3238 -18.3238 -18.3114 -18.3114 -18.3048 -18.3048 -18.2806 -18.2806 -15.4860 -15.4860 -15.3095 -15.3095 -5.6563 -5.6563 -5.6452 -5.6452 -4.3694 -4.3694 -3.8998 -3.8998 -3.0570 -3.0570 -2.9121 -2.9121 -2.4495 -2.4495 -2.4077 -2.4077 3.4527 3.4527 4.0190 4.0190 4.0632 4.0632 4.1505 4.1505 4.2137 4.2137 4.2765 4.2765 7.0243 7.0243 7.0999 7.0999 8.8469 8.8469 9.1223 9.1223 9.3829 9.3829 k = 0.0000 0.0000 0.0153 ( 14855 PWs) bands (ev): -46.4325 -46.4325 -46.4279 -46.4279 -18.4961 -18.4961 -18.4742 -18.4742 -18.3238 -18.3238 -18.3114 -18.3114 -18.3048 -18.3048 -18.2806 -18.2806 -15.4859 -15.4859 -15.3095 -15.3095 -5.6647 -5.6647 -5.6370 -5.6370 -4.3694 -4.3694 -3.8996 -3.8996 -3.0568 -3.0568 -2.9121 -2.9121 -2.4491 -2.4491 -2.4077 -2.4077 3.4481 3.4481 4.0187 4.0187 4.0629 4.0629 4.1486 4.1486 4.2148 4.2148 4.2784 4.2784 7.0295 7.0295 7.1006 7.1006 8.8443 8.8443 9.1275 9.1275 9.3846 9.3846 k = 0.0000 0.0000 0.0307 ( 14851 PWs) bands (ev): -46.4325 -46.4325 -46.4279 -46.4279 -18.4961 -18.4961 -18.4742 -18.4742 -18.3238 -18.3238 -18.3114 -18.3114 -18.3048 -18.3048 -18.2806 -18.2806 -15.4859 -15.4859 -15.3096 -15.3096 -5.6772 -5.6772 -5.6252 -5.6252 -4.3691 -4.3691 -3.8991 -3.8991 -3.0561 -3.0561 -2.9120 -2.9120 -2.4481 -2.4481 -2.4078 -2.4078 3.4347 3.4347 4.0174 4.0174 4.0619 4.0619 4.1433 4.1433 4.2182 4.2182 4.2840 4.2840 7.0448 7.0448 7.1027 7.1027 8.8363 8.8363 9.1429 9.1429 9.3895 9.3895 k = 0.0000 0.0000 0.0460 ( 14811 PWs) bands (ev): -46.4325 -46.4325 -46.4279 -46.4279 -18.4961 -18.4961 -18.4741 -18.4741 -18.3238 -18.3238 -18.3114 -18.3114 -18.3048 -18.3048 -18.2805 -18.2805 -15.4858 -15.4858 -15.3097 -15.3097 -5.6899 -5.6899 -5.6135 -5.6135 -4.3688 -4.3688 -3.8983 -3.8983 -3.0550 -3.0550 -2.9118 -2.9118 -2.4464 -2.4464 -2.4080 -2.4080 3.4132 3.4132 4.0149 4.0149 4.0604 4.0604 4.1353 4.1353 4.2236 4.2236 4.2922 4.2922 7.0702 7.0702 7.1062 7.1062 8.8233 8.8233 9.1682 9.1682 9.3976 9.3976 k = 0.0000 0.0000 0.0614 ( 14803 PWs) bands (ev): -46.4325 -46.4325 -46.4279 -46.4279 -18.4961 -18.4961 -18.4741 -18.4741 -18.3238 -18.3238 -18.3114 -18.3114 -18.3048 -18.3048 -18.2805 -18.2805 -15.4857 -15.4857 -15.3098 -15.3098 -5.7027 -5.7027 -5.6021 -5.6021 -4.3682 -4.3682 -3.8972 -3.8972 -3.0536 -3.0536 -2.9117 -2.9117 -2.4441 -2.4441 -2.4082 -2.4082 3.3849 3.3849 4.0107 4.0107 4.0585 4.0585 4.1257 4.1257 4.2305 4.2305 4.3023 4.3023 7.1051 7.1051 7.1111 7.1111 8.8057 8.8057 9.2027 9.2027 9.4089 9.4089 k = 0.0000 0.0000 0.0767 ( 14795 PWs) bands (ev): -46.4325 -46.4325 -46.4279 -46.4279 -18.4961 -18.4961 -18.4741 -18.4741 -18.3238 -18.3238 -18.3114 -18.3114 -18.3048 -18.3048 -18.2805 -18.2805 -15.4855 -15.4855 -15.3099 -15.3099 -5.7154 -5.7154 -5.5912 -5.5912 -4.3676 -4.3676 -3.8958 -3.8958 -3.0517 -3.0517 -2.9114 -2.9114 -2.4412 -2.4412 -2.4084 -2.4084 3.3512 3.3512 4.0051 4.0051 4.0559 4.0559 4.1150 4.1150 4.2386 4.2386 4.3135 4.3135 7.1172 7.1172 7.1491 7.1491 8.7841 8.7841 9.2447 9.2447 9.4233 9.4233 k = 0.0000 0.0000 0.0921 ( 14810 PWs) bands (ev): -46.4325 -46.4325 -46.4279 -46.4279 -18.4961 -18.4961 -18.4741 -18.4741 -18.3238 -18.3238 -18.3114 -18.3114 -18.3048 -18.3048 -18.2805 -18.2805 -15.4854 -15.4854 -15.3101 -15.3101 -5.7278 -5.7278 -5.5809 -5.5809 -4.3668 -4.3668 -3.8942 -3.8942 -3.0495 -3.0495 -2.9112 -2.9112 -2.4379 -2.4379 -2.4088 -2.4088 3.3136 3.3136 3.9983 3.9983 4.0521 4.0521 4.1039 4.1039 4.2475 4.2475 4.3252 4.3252 7.1245 7.1245 7.2016 7.2016 8.7591 8.7591 9.2905 9.2905 9.4406 9.4406 k = 0.0000 0.0000 0.1074 ( 14834 PWs) bands (ev): -46.4325 -46.4325 -46.4279 -46.4279 -18.4961 -18.4961 -18.4742 -18.4742 -18.3238 -18.3238 -18.3114 -18.3114 -18.3048 -18.3048 -18.2805 -18.2805 -15.4852 -15.4852 -15.3103 -15.3103 -5.7399 -5.7399 -5.5713 -5.5713 -4.3659 -4.3659 -3.8924 -3.8924 -3.0471 -3.0471 -2.9109 -2.9109 -2.4341 -2.4341 -2.4091 -2.4091 3.2734 3.2734 3.9907 3.9907 4.0468 4.0468 4.0927 4.0927 4.2569 4.2569 4.3371 4.3371 7.1328 7.1328 7.2617 7.2617 8.7313 8.7313 9.3276 9.3276 9.4596 9.4596 k = 0.0000 0.0000 0.1227 ( 14846 PWs) bands (ev): -46.4325 -46.4325 -46.4279 -46.4279 -18.4961 -18.4961 -18.4742 -18.4742 -18.3238 -18.3238 -18.3114 -18.3114 -18.3048 -18.3048 -18.2805 -18.2805 -15.4849 -15.4849 -15.3105 -15.3105 -5.7514 -5.7514 -5.5623 -5.5623 -4.3650 -4.3650 -3.8904 -3.8904 -3.0444 -3.0444 -2.9106 -2.9106 -2.4300 -2.4300 -2.4095 -2.4095 3.2318 3.2318 3.9828 3.9828 4.0399 4.0399 4.0817 4.0817 4.2666 4.2666 4.3488 4.3488 7.1421 7.1421 7.3288 7.3288 8.7016 8.7016 9.3236 9.3236 9.4791 9.4791 k = 0.0000 0.0000 0.1381 ( 14846 PWs) bands (ev): -46.4325 -46.4325 -46.4279 -46.4279 -18.4961 -18.4961 -18.4742 -18.4742 -18.3238 -18.3238 -18.3114 -18.3114 -18.3048 -18.3048 -18.2805 -18.2805 -15.4847 -15.4847 -15.3107 -15.3107 -5.7625 -5.7625 -5.5540 -5.5540 -4.3639 -4.3639 -3.8884 -3.8884 -3.0415 -3.0415 -2.9102 -2.9102 -2.4257 -2.4257 -2.4099 -2.4099 3.1899 3.1899 3.9747 3.9747 4.0315 4.0315 4.0711 4.0711 4.2762 4.2762 4.3602 4.3602 7.1520 7.1520 7.4020 7.4020 8.6707 8.6707 9.2757 9.2757 9.5048 9.5048 k = 0.0000 0.0000 0.1534 ( 14838 PWs) bands (ev): -46.4325 -46.4325 -46.4279 -46.4279 -18.4961 -18.4961 -18.4742 -18.4742 -18.3238 -18.3238 -18.3114 -18.3114 -18.3048 -18.3048 -18.2805 -18.2805 -15.4845 -15.4845 -15.3109 -15.3109 -5.7728 -5.7728 -5.5465 -5.5465 -4.3629 -4.3629 -3.8864 -3.8864 -3.0386 -3.0386 -2.9099 -2.9099 -2.4212 -2.4212 -2.4103 -2.4103 3.1487 3.1487 3.9669 3.9669 4.0218 4.0218 4.0611 4.0611 4.2855 4.2855 4.3711 4.3711 7.1625 7.1625 7.4803 7.4803 8.6393 8.6393 9.2108 9.2108 9.5323 9.5323 k = 0.0000 0.0000 0.1688 ( 14850 PWs) bands (ev): -46.4325 -46.4325 -46.4279 -46.4279 -18.4961 -18.4961 -18.4742 -18.4742 -18.3238 -18.3238 -18.3114 -18.3114 -18.3048 -18.3048 -18.2805 -18.2805 -15.4842 -15.4842 -15.3111 -15.3111 -5.7825 -5.7825 -5.5397 -5.5397 -4.3617 -4.3617 -3.8843 -3.8843 -3.0356 -3.0356 -2.9096 -2.9096 -2.4167 -2.4167 -2.4108 -2.4108 3.1091 3.1091 3.9595 3.9595 4.0111 4.0111 4.0517 4.0517 4.2944 4.2944 4.3813 4.3813 7.1734 7.1734 7.5629 7.5629 8.6082 8.6082 9.1394 9.1394 9.5607 9.5607 k = 0.0000 0.0000 0.1841 ( 14878 PWs) bands (ev): -46.4325 -46.4325 -46.4279 -46.4279 -18.4962 -18.4962 -18.4742 -18.4742 -18.3239 -18.3239 -18.3115 -18.3115 -18.3049 -18.3049 -18.2805 -18.2805 -15.4840 -15.4840 -15.3113 -15.3113 -5.7913 -5.7913 -5.5336 -5.5336 -4.3606 -4.3606 -3.8824 -3.8824 -3.0327 -3.0327 -2.9092 -2.9092 -2.4124 -2.4124 -2.4112 -2.4112 3.0717 3.0717 3.9526 3.9526 3.9999 3.9999 4.0431 4.0431 4.3027 4.3027 4.3907 4.3907 7.1842 7.1842 7.6489 7.6489 8.5780 8.5780 9.0642 9.0642 9.5898 9.5898 k = 0.0000 0.0000 0.1994 ( 14854 PWs) bands (ev): -46.4325 -46.4325 -46.4279 -46.4279 -18.4961 -18.4961 -18.4742 -18.4742 -18.3239 -18.3239 -18.3114 -18.3114 -18.3048 -18.3048 -18.2805 -18.2805 -15.4838 -15.4838 -15.3115 -15.3115 -5.7992 -5.7992 -5.5283 -5.5283 -4.3596 -4.3596 -3.8805 -3.8805 -3.0300 -3.0300 -2.9089 -2.9089 -2.4116 -2.4116 -2.4082 -2.4082 3.0373 3.0373 3.9465 3.9465 3.9886 3.9886 4.0353 4.0353 4.3103 4.3103 4.3992 4.3992 7.1948 7.1948 7.7376 7.7376 8.5495 8.5495 8.9864 8.9864 9.6189 9.6189 k = 0.0000 0.0000 0.2148 ( 14870 PWs) bands (ev): -46.4325 -46.4325 -46.4279 -46.4279 -18.4962 -18.4962 -18.4742 -18.4742 -18.3239 -18.3239 -18.3115 -18.3115 -18.3048 -18.3048 -18.2805 -18.2805 -15.4836 -15.4836 -15.3117 -15.3117 -5.8063 -5.8063 -5.5237 -5.5237 -4.3586 -4.3586 -3.8788 -3.8788 -3.0274 -3.0274 -2.9086 -2.9086 -2.4119 -2.4119 -2.4044 -2.4044 3.0064 3.0064 3.9412 3.9412 3.9776 3.9776 4.0285 4.0285 4.3171 4.3171 4.4067 4.4067 7.2049 7.2049 7.8281 7.8281 8.5232 8.5232 8.9064 8.9064 9.6474 9.6474 k = 0.0000 0.0000 0.2301 ( 14858 PWs) bands (ev): -46.4325 -46.4325 -46.4279 -46.4279 -18.4961 -18.4961 -18.4742 -18.4742 -18.3239 -18.3239 -18.3114 -18.3114 -18.3049 -18.3049 -18.2805 -18.2805 -15.4834 -15.4834 -15.3119 -15.3119 -5.8123 -5.8123 -5.5199 -5.5199 -4.3577 -4.3577 -3.8773 -3.8773 -3.0251 -3.0251 -2.9083 -2.9083 -2.4122 -2.4122 -2.4009 -2.4009 2.9795 2.9795 3.9369 3.9369 3.9672 3.9672 4.0226 4.0226 4.3229 4.3229 4.4132 4.4132 7.2142 7.2142 7.9197 7.9197 8.4998 8.4998 8.8246 8.8246 9.6743 9.6743 k = 0.0000 0.0000 0.2455 ( 14854 PWs) bands (ev): -46.4325 -46.4325 -46.4279 -46.4279 -18.4961 -18.4961 -18.4742 -18.4742 -18.3239 -18.3239 -18.3114 -18.3114 -18.3049 -18.3049 -18.2805 -18.2805 -15.4833 -15.4833 -15.3120 -15.3120 -5.8173 -5.8173 -5.5168 -5.5168 -4.3569 -4.3569 -3.8760 -3.8760 -3.0231 -3.0231 -2.9081 -2.9081 -2.4125 -2.4125 -2.3980 -2.3980 2.9569 2.9569 3.9337 3.9337 3.9578 3.9578 4.0177 4.0177 4.3278 4.3278 4.4186 4.4186 7.2223 7.2223 8.0117 8.0117 8.4798 8.4798 8.7413 8.7413 9.6985 9.6985 k = 0.0000 0.0000 0.2608 ( 14846 PWs) bands (ev): -46.4325 -46.4325 -46.4279 -46.4279 -18.4961 -18.4961 -18.4742 -18.4742 -18.3239 -18.3239 -18.3114 -18.3114 -18.3049 -18.3049 -18.2805 -18.2805 -15.4831 -15.4831 -15.3121 -15.3121 -5.8212 -5.8212 -5.5144 -5.5144 -4.3563 -4.3563 -3.8750 -3.8750 -3.0215 -3.0215 -2.9079 -2.9079 -2.4127 -2.4127 -2.3956 -2.3956 2.9391 2.9391 3.9317 3.9317 3.9496 3.9496 4.0139 4.0139 4.3316 4.3316 4.4229 4.4229 7.2290 7.2290 8.1035 8.1035 8.4637 8.4637 8.6567 8.6567 9.7190 9.7190 k = 0.0000 0.0000 0.2762 ( 14858 PWs) bands (ev): -46.4325 -46.4325 -46.4279 -46.4279 -18.4962 -18.4962 -18.4742 -18.4742 -18.3239 -18.3239 -18.3115 -18.3115 -18.3048 -18.3048 -18.2805 -18.2805 -15.4830 -15.4830 -15.3122 -15.3122 -5.8240 -5.8240 -5.5126 -5.5126 -4.3558 -4.3558 -3.8742 -3.8742 -3.0203 -3.0203 -2.9078 -2.9078 -2.4129 -2.4129 -2.3939 -2.3939 2.9261 2.9261 3.9309 3.9309 3.9428 3.9428 4.0111 4.0111 4.3344 4.3344 4.4259 4.4259 7.2339 7.2339 8.1937 8.1937 8.4519 8.4519 8.5719 8.5719 9.7346 9.7346 k = 0.0000 0.0000 0.2915 ( 14846 PWs) bands (ev): -46.4325 -46.4325 -46.4279 -46.4279 -18.4962 -18.4962 -18.4742 -18.4742 -18.3239 -18.3239 -18.3115 -18.3115 -18.3048 -18.3048 -18.2805 -18.2805 -15.4830 -15.4830 -15.3123 -15.3123 -5.8257 -5.8257 -5.5116 -5.5116 -4.3556 -4.3556 -3.8738 -3.8738 -3.0196 -3.0196 -2.9077 -2.9077 -2.4130 -2.4130 -2.3928 -2.3928 2.9183 2.9183 3.9315 3.9315 3.9376 3.9376 4.0094 4.0094 4.3361 4.3361 4.4278 4.4278 7.2370 7.2370 8.2788 8.2788 8.4447 8.4447 8.4900 8.4900 9.7444 9.7444 k = 0.0000 0.0000 0.3068 ( 14826 PWs) bands (ev): -46.4325 -46.4325 -46.4279 -46.4279 -18.4961 -18.4961 -18.4741 -18.4741 -18.3239 -18.3239 -18.3114 -18.3114 -18.3048 -18.3048 -18.2805 -18.2805 -15.4830 -15.4830 -15.3123 -15.3123 -5.8263 -5.8263 -5.5113 -5.5113 -4.3555 -4.3555 -3.8736 -3.8736 -3.0194 -3.0194 -2.9077 -2.9077 -2.4130 -2.4130 -2.3925 -2.3925 2.9157 2.9157 3.9329 3.9329 3.9347 3.9347 4.0089 4.0089 4.3366 4.3366 4.4284 4.4284 7.2380 7.2380 8.3310 8.3310 8.4391 8.4391 8.4422 8.4422 9.7477 9.7477 k = 0.0000 0.0000 0.3068 ( 14826 PWs) bands (ev): -46.4325 -46.4325 -46.4279 -46.4279 -18.4961 -18.4961 -18.4741 -18.4741 -18.3239 -18.3239 -18.3114 -18.3114 -18.3048 -18.3048 -18.2805 -18.2805 -15.4830 -15.4830 -15.3123 -15.3123 -5.8263 -5.8263 -5.5113 -5.5113 -4.3555 -4.3555 -3.8736 -3.8736 -3.0194 -3.0194 -2.9077 -2.9077 -2.4130 -2.4130 -2.3925 -2.3925 2.9157 2.9157 3.9329 3.9329 3.9347 3.9347 4.0089 4.0089 4.3366 4.3366 4.4284 4.4284 7.2380 7.2380 8.3310 8.3310 8.4391 8.4391 8.4422 8.4422 9.7477 9.7477 k = 0.0000 0.0152 0.3068 ( 14840 PWs) bands (ev): -46.4325 -46.4325 -46.4279 -46.4279 -18.4961 -18.4961 -18.4742 -18.4742 -18.3238 -18.3238 -18.3115 -18.3115 -18.3048 -18.3048 -18.2805 -18.2805 -15.4828 -15.4828 -15.3124 -15.3124 -5.8264 -5.8264 -5.5117 -5.5117 -4.3552 -4.3552 -3.8738 -3.8738 -3.0192 -3.0192 -2.9074 -2.9074 -2.4131 -2.4131 -2.3928 -2.3928 2.9164 2.9164 3.9072 3.9072 3.9517 3.9517 4.0153 4.0153 4.3351 4.3351 4.4268 4.4268 7.2411 7.2411 8.3335 8.3335 8.4407 8.4407 8.4457 8.4457 9.7452 9.7452 k = 0.0000 0.0303 0.3068 ( 14854 PWs) bands (ev): -46.4325 -46.4325 -46.4279 -46.4279 -18.4961 -18.4961 -18.4742 -18.4742 -18.3238 -18.3238 -18.3114 -18.3114 -18.3048 -18.3048 -18.2806 -18.2806 -15.4824 -15.4824 -15.3125 -15.3125 -5.8268 -5.8268 -5.5130 -5.5130 -4.3544 -4.3544 -3.8742 -3.8742 -3.0186 -3.0186 -2.9066 -2.9066 -2.4132 -2.4132 -2.3939 -2.3939 2.9188 2.9188 3.8754 3.8754 3.9594 3.9594 4.0322 4.0322 4.3306 4.3306 4.4220 4.4220 7.2505 7.2505 8.3410 8.3410 8.4455 8.4455 8.4561 8.4561 9.7375 9.7375 k = 0.0000 0.0455 0.3068 ( 14872 PWs) bands (ev): -46.4324 -46.4324 -46.4280 -46.4280 -18.4960 -18.4960 -18.4743 -18.4743 -18.3237 -18.3237 -18.3114 -18.3114 -18.3049 -18.3049 -18.2808 -18.2808 -15.4817 -15.4817 -15.3128 -15.3128 -5.8274 -5.8274 -5.5151 -5.5151 -4.3530 -4.3530 -3.8751 -3.8751 -3.0176 -3.0176 -2.9051 -2.9051 -2.4134 -2.4134 -2.3957 -2.3957 2.9226 2.9226 3.8405 3.8405 3.9607 3.9607 4.0539 4.0539 4.3228 4.3228 4.4143 4.4143 7.2659 7.2659 8.3534 8.3534 8.4534 8.4534 8.4734 8.4734 9.7245 9.7245 k = 0.0000 0.0606 0.3068 ( 14868 PWs) bands (ev): -46.4324 -46.4324 -46.4280 -46.4280 -18.4959 -18.4959 -18.4744 -18.4744 -18.3235 -18.3235 -18.3114 -18.3114 -18.3050 -18.3050 -18.2810 -18.2810 -15.4808 -15.4808 -15.3132 -15.3132 -5.8282 -5.8282 -5.5180 -5.5180 -4.3511 -4.3511 -3.8762 -3.8762 -3.0162 -3.0162 -2.9032 -2.9032 -2.4138 -2.4138 -2.3982 -2.3982 2.9279 2.9279 3.8035 3.8035 3.9588 3.9588 4.0764 4.0764 4.3117 4.3117 4.4042 4.4042 7.2874 7.2874 8.3703 8.3703 8.4641 8.4641 8.4975 8.4975 9.7061 9.7061 k = 0.0000 0.0758 0.3068 ( 14870 PWs) bands (ev): -46.4324 -46.4324 -46.4280 -46.4280 -18.4958 -18.4958 -18.4745 -18.4745 -18.3233 -18.3233 -18.3114 -18.3114 -18.3050 -18.3050 -18.2812 -18.2812 -15.4796 -15.4796 -15.3137 -15.3137 -5.8292 -5.8292 -5.5217 -5.5217 -4.3487 -4.3487 -3.8777 -3.8777 -3.0144 -3.0144 -2.9006 -2.9006 -2.4143 -2.4143 -2.4013 -2.4013 2.9347 2.9347 3.7649 3.7649 3.9551 3.9551 4.0981 4.0981 4.2970 4.2970 4.3921 4.3921 7.3148 7.3148 8.3914 8.3914 8.4772 8.4772 8.5281 8.5281 9.6830 9.6830 k = 0.0000 0.0909 0.3068 ( 14866 PWs) bands (ev): -46.4324 -46.4324 -46.4280 -46.4280 -18.4957 -18.4957 -18.4746 -18.4746 -18.3231 -18.3231 -18.3114 -18.3114 -18.3051 -18.3051 -18.2815 -18.2815 -15.4782 -15.4782 -15.3143 -15.3143 -5.8304 -5.8304 -5.5263 -5.5263 -4.3457 -4.3457 -3.8795 -3.8795 -3.0122 -3.0122 -2.8976 -2.8976 -2.4149 -2.4149 -2.4051 -2.4051 2.9428 2.9428 3.7251 3.7251 3.9502 3.9502 4.1183 4.1183 4.2786 4.2786 4.3785 4.3785 7.3480 7.3480 8.4164 8.4164 8.4924 8.4924 8.5648 8.5648 9.6563 9.6563 k = 0.0000 0.1061 0.3068 ( 14868 PWs) bands (ev): -46.4323 -46.4323 -46.4281 -46.4281 -18.4955 -18.4955 -18.4747 -18.4747 -18.3228 -18.3228 -18.3114 -18.3114 -18.3052 -18.3052 -18.2818 -18.2818 -15.4764 -15.4764 -15.3150 -15.3150 -5.8318 -5.8318 -5.5317 -5.5317 -4.3421 -4.3421 -3.8816 -3.8816 -3.0095 -3.0095 -2.8939 -2.8939 -2.4158 -2.4158 -2.4095 -2.4095 2.9523 2.9523 3.6843 3.6843 3.9442 3.9442 4.1366 4.1366 4.2566 4.2566 4.3637 4.3637 7.3866 7.3866 8.4447 8.4447 8.5092 8.5092 8.6073 8.6073 9.6274 9.6274 k = 0.0000 0.1212 0.3068 ( 14850 PWs) bands (ev): -46.4323 -46.4323 -46.4281 -46.4281 -18.4953 -18.4953 -18.4749 -18.4749 -18.3225 -18.3225 -18.3113 -18.3113 -18.3052 -18.3052 -18.2822 -18.2822 -15.4745 -15.4745 -15.3158 -15.3158 -5.8332 -5.8332 -5.5378 -5.5378 -4.3380 -4.3380 -3.8841 -3.8841 -3.0065 -3.0065 -2.8898 -2.8898 -2.4174 -2.4174 -2.4139 -2.4139 2.9630 2.9630 3.6430 3.6430 3.9374 3.9374 4.1529 4.1529 4.2312 4.2312 4.3482 4.3482 7.4304 7.4304 8.4758 8.4758 8.5273 8.5273 8.6549 8.6549 9.5977 9.5977 k = 0.0000 0.1364 0.3068 ( 14868 PWs) bands (ev): -46.4323 -46.4323 -46.4281 -46.4281 -18.4951 -18.4951 -18.4751 -18.4751 -18.3221 -18.3221 -18.3113 -18.3113 -18.3054 -18.3054 -18.2827 -18.2827 -15.4723 -15.4723 -15.3168 -15.3168 -5.8348 -5.8348 -5.5446 -5.5446 -4.3333 -4.3333 -3.8869 -3.8869 -3.0030 -3.0030 -2.8851 -2.8851 -2.4215 -2.4215 -2.4167 -2.4167 2.9748 2.9748 3.6014 3.6014 3.9299 3.9299 4.1672 4.1672 4.2028 4.2028 4.3318 4.3318 7.4791 7.4791 8.5085 8.5085 8.5468 8.5468 8.7069 8.7069 9.5683 9.5683 k = 0.0000 0.1515 0.3068 ( 14874 PWs) bands (ev): -46.4322 -46.4322 -46.4282 -46.4282 -18.4948 -18.4948 -18.4753 -18.4753 -18.3217 -18.3217 -18.3113 -18.3113 -18.3055 -18.3055 -18.2832 -18.2832 -15.4699 -15.4699 -15.3179 -15.3179 -5.8365 -5.8365 -5.5522 -5.5522 -4.3279 -4.3279 -3.8901 -3.8901 -2.9991 -2.9991 -2.8799 -2.8799 -2.4275 -2.4275 -2.4184 -2.4184 2.9876 2.9876 3.5598 3.5598 3.9219 3.9219 4.1720 4.1720 4.1793 4.1793 4.3148 4.3148 7.5323 7.5323 8.5406 8.5406 8.5689 8.5689 8.7625 8.7625 9.5402 9.5402 k = 0.0000 0.1667 0.3068 ( 14870 PWs) bands (ev): -46.4322 -46.4322 -46.4282 -46.4282 -18.4946 -18.4946 -18.4755 -18.4755 -18.3212 -18.3212 -18.3112 -18.3112 -18.3056 -18.3056 -18.2837 -18.2837 -15.4672 -15.4672 -15.3191 -15.3191 -5.8381 -5.8381 -5.5604 -5.5604 -4.3220 -4.3220 -3.8936 -3.8936 -2.9947 -2.9947 -2.8742 -2.8742 -2.4344 -2.4344 -2.4201 -2.4201 3.0012 3.0012 3.5185 3.5185 3.9135 3.9135 4.1393 4.1393 4.1893 4.1893 4.2970 4.2970 7.5896 7.5896 8.5679 8.5679 8.5967 8.5967 8.8208 8.8208 9.5141 9.5141 k = 0.0000 0.1818 0.3068 ( 14882 PWs) bands (ev): -46.4321 -46.4321 -46.4283 -46.4283 -18.4943 -18.4943 -18.4757 -18.4757 -18.3208 -18.3208 -18.3112 -18.3112 -18.3058 -18.3058 -18.2843 -18.2843 -15.4644 -15.4644 -15.3204 -15.3204 -5.8398 -5.8398 -5.5693 -5.5693 -4.3155 -4.3155 -3.8976 -3.8976 -2.9899 -2.9899 -2.8681 -2.8681 -2.4417 -2.4417 -2.4221 -2.4221 3.0154 3.0154 3.4777 3.4777 3.9048 3.9048 4.1053 4.1053 4.1970 4.1970 4.2787 4.2787 7.6505 7.6505 8.5895 8.5895 8.6301 8.6301 8.8809 8.8809 9.4905 9.4905 k = 0.0000 0.1970 0.3068 ( 14892 PWs) bands (ev): -46.4320 -46.4320 -46.4284 -46.4284 -18.4940 -18.4940 -18.4760 -18.4760 -18.3202 -18.3202 -18.3111 -18.3111 -18.3059 -18.3059 -18.2850 -18.2850 -15.4614 -15.4614 -15.3219 -15.3219 -5.8413 -5.8413 -5.5788 -5.5788 -4.3084 -4.3084 -3.9019 -3.9019 -2.9846 -2.9846 -2.8616 -2.8616 -2.4496 -2.4496 -2.4244 -2.4244 3.0301 3.0301 3.4377 3.4377 3.8960 3.8960 4.0708 4.0708 4.2024 4.2024 4.2598 4.2598 7.7142 7.7142 8.6086 8.6086 8.6649 8.6649 8.9417 8.9417 9.4699 9.4699 k = 0.0000 0.2121 0.3068 ( 14874 PWs) bands (ev): -46.4320 -46.4320 -46.4284 -46.4284 -18.4936 -18.4936 -18.4763 -18.4763 -18.3197 -18.3197 -18.3111 -18.3111 -18.3060 -18.3060 -18.2856 -18.2856 -15.4581 -15.4581 -15.3235 -15.3235 -5.8428 -5.8428 -5.5887 -5.5887 -4.3008 -4.3008 -3.9066 -3.9066 -2.9788 -2.9788 -2.8546 -2.8546 -2.4579 -2.4579 -2.4270 -2.4270 3.0451 3.0451 3.3988 3.3988 3.8871 3.8871 4.0362 4.0362 4.2052 4.2052 4.2408 4.2408 7.7801 7.7801 8.6268 8.6268 8.6983 8.6983 9.0021 9.0021 9.4525 9.4525 k = 0.0000 0.2273 0.3068 ( 14894 PWs) bands (ev): -46.4319 -46.4319 -46.4285 -46.4285 -18.4933 -18.4933 -18.4766 -18.4766 -18.3191 -18.3191 -18.3110 -18.3110 -18.3062 -18.3062 -18.2863 -18.2863 -15.4547 -15.4547 -15.3252 -15.3252 -5.8441 -5.8441 -5.5992 -5.5992 -4.2925 -4.2925 -3.9117 -3.9117 -2.9726 -2.9726 -2.8474 -2.8474 -2.4666 -2.4666 -2.4300 -2.4300 3.0599 3.0599 3.3613 3.3613 3.8784 3.8784 4.0022 4.0022 4.2037 4.2037 4.2233 4.2233 7.8474 7.8474 8.6452 8.6452 8.7286 8.7286 9.0611 9.0611 9.4385 9.4385 k = 0.0000 0.2424 0.3068 ( 14902 PWs) bands (ev): -46.4318 -46.4318 -46.4286 -46.4286 -18.4929 -18.4929 -18.4769 -18.4769 -18.3185 -18.3185 -18.3110 -18.3110 -18.3064 -18.3064 -18.2871 -18.2871 -15.4512 -15.4512 -15.3271 -15.3271 -5.8452 -5.8452 -5.6101 -5.6101 -4.2837 -4.2837 -3.9172 -3.9172 -2.9659 -2.9659 -2.8399 -2.8399 -2.4756 -2.4756 -2.4334 -2.4334 3.0744 3.0744 3.3252 3.3252 3.8697 3.8697 3.9695 3.9695 4.1923 4.1923 4.2131 4.2131 7.9149 7.9149 8.6644 8.6644 8.7545 8.7545 9.1174 9.1174 9.4283 9.4283 k = 0.0000 0.2576 0.3068 ( 14904 PWs) bands (ev): -46.4318 -46.4318 -46.4286 -46.4286 -18.4925 -18.4925 -18.4773 -18.4773 -18.3178 -18.3178 -18.3109 -18.3109 -18.3065 -18.3065 -18.2878 -18.2878 -15.4475 -15.4475 -15.3291 -15.3291 -5.8461 -5.8461 -5.6214 -5.6214 -4.2744 -4.2744 -3.9232 -3.9232 -2.9586 -2.9586 -2.8322 -2.8322 -2.4849 -2.4849 -2.4372 -2.4372 3.0881 3.0881 3.2909 3.2909 3.8613 3.8613 3.9388 3.9388 4.1733 4.1733 4.2080 4.2080 7.9815 7.9815 8.6853 8.6853 8.7750 8.7750 9.1697 9.1697 9.4218 9.4218 k = 0.0000 0.2727 0.3068 ( 14900 PWs) bands (ev): -46.4317 -46.4317 -46.4287 -46.4287 -18.4921 -18.4921 -18.4776 -18.4776 -18.3171 -18.3171 -18.3109 -18.3109 -18.3067 -18.3067 -18.2886 -18.2886 -15.4436 -15.4436 -15.3312 -15.3312 -5.8467 -5.8467 -5.6329 -5.6329 -4.2645 -4.2645 -3.9297 -3.9297 -2.9510 -2.9510 -2.8243 -2.8243 -2.4942 -2.4942 -2.4414 -2.4414 3.1007 3.1007 3.2586 3.2586 3.8530 3.8530 3.9109 3.9109 4.1524 4.1524 4.2025 4.2025 8.0460 8.0460 8.7086 8.7086 8.7895 8.7895 9.2167 9.2167 9.4191 9.4191 k = 0.0000 0.2879 0.3068 ( 14892 PWs) bands (ev): -46.4316 -46.4316 -46.4288 -46.4288 -18.4917 -18.4917 -18.4780 -18.4780 -18.3164 -18.3164 -18.3108 -18.3108 -18.3068 -18.3068 -18.2895 -18.2895 -15.4396 -15.4396 -15.3335 -15.3335 -5.8469 -5.8469 -5.6447 -5.6447 -4.2542 -4.2542 -3.9366 -3.9366 -2.9428 -2.9428 -2.8165 -2.8165 -2.5036 -2.5036 -2.4461 -2.4461 3.1117 3.1117 3.2284 3.2284 3.8446 3.8446 3.8868 3.8868 4.1309 4.1309 4.1954 4.1954 8.1071 8.1071 8.7350 8.7350 8.7979 8.7979 9.2569 9.2569 9.4203 9.4203 k = 0.0000 0.3030 0.3068 ( 14872 PWs) bands (ev): -46.4315 -46.4315 -46.4289 -46.4289 -18.4912 -18.4912 -18.4784 -18.4784 -18.3156 -18.3156 -18.3107 -18.3107 -18.3070 -18.3070 -18.2903 -18.2903 -15.4356 -15.4356 -15.3359 -15.3359 -5.8468 -5.8468 -5.6566 -5.6566 -4.2433 -4.2433 -3.9439 -3.9439 -2.9342 -2.9342 -2.8088 -2.8088 -2.5129 -2.5129 -2.4512 -2.4512 3.1208 3.1208 3.2004 3.2004 3.8355 3.8355 3.8678 3.8678 4.1092 4.1092 4.1864 4.1864 8.1636 8.1636 8.7645 8.7645 8.8010 8.8010 9.2891 9.2891 9.4255 9.4255 k = 0.0000 0.3182 0.3068 ( 14872 PWs) bands (ev): -46.4314 -46.4314 -46.4290 -46.4290 -18.4908 -18.4908 -18.4788 -18.4788 -18.3148 -18.3148 -18.3106 -18.3106 -18.3072 -18.3072 -18.2913 -18.2913 -15.4314 -15.4314 -15.3385 -15.3385 -5.8462 -5.8462 -5.6686 -5.6686 -4.2321 -4.2321 -3.9518 -3.9518 -2.9251 -2.9251 -2.8013 -2.8013 -2.5220 -2.5220 -2.4568 -2.4568 3.1275 3.1275 3.1750 3.1750 3.8255 3.8255 3.8547 3.8547 4.0875 4.0875 4.1756 4.1756 8.2147 8.2147 8.7896 8.7896 8.8069 8.8069 9.3124 9.3124 9.4346 9.4346 k = 0.0000 0.3333 0.3068 ( 14862 PWs) bands (ev): -46.4313 -46.4313 -46.4291 -46.4291 -18.4903 -18.4903 -18.4792 -18.4792 -18.3140 -18.3140 -18.3105 -18.3105 -18.3074 -18.3074 -18.2922 -18.2922 -15.4272 -15.4272 -15.3412 -15.3412 -5.8451 -5.8451 -5.6807 -5.6807 -4.2205 -4.2205 -3.9601 -3.9601 -2.9157 -2.9157 -2.7943 -2.7943 -2.5306 -2.5306 -2.4628 -2.4628 3.1312 3.1312 3.1525 3.1525 3.8159 3.8159 3.8466 3.8466 4.0660 4.0660 4.1630 4.1630 8.2602 8.2602 8.7865 8.7865 8.8393 8.8393 9.3265 9.3265 9.4476 9.4476 k = 0.0000 0.3485 0.3068 ( 14868 PWs) bands (ev): -46.4312 -46.4312 -46.4292 -46.4292 -18.4898 -18.4898 -18.4796 -18.4796 -18.3131 -18.3131 -18.3103 -18.3103 -18.3076 -18.3076 -18.2931 -18.2931 -15.4229 -15.4229 -15.3441 -15.3441 -5.8436 -5.8436 -5.6926 -5.6926 -4.2085 -4.2085 -3.9689 -3.9689 -2.9058 -2.9058 -2.7879 -2.7879 -2.5386 -2.5386 -2.4693 -2.4693 3.1275 3.1275 3.1374 3.1374 3.8088 3.8088 3.8420 3.8420 4.0448 4.0448 4.1487 4.1487 8.3000 8.3000 8.7752 8.7752 8.8781 8.8781 9.3321 9.3321 9.4644 9.4644 k = 0.0000 0.3636 0.3068 ( 14864 PWs) bands (ev): -46.4311 -46.4311 -46.4293 -46.4293 -18.4893 -18.4893 -18.4801 -18.4801 -18.3123 -18.3123 -18.3102 -18.3102 -18.3077 -18.3077 -18.2941 -18.2941 -15.4186 -15.4186 -15.3471 -15.3471 -5.8415 -5.8415 -5.7045 -5.7045 -4.1962 -4.1962 -3.9782 -3.9782 -2.8957 -2.8957 -2.7825 -2.7825 -2.5458 -2.5458 -2.4761 -2.4761 3.1120 3.1120 3.1339 3.1339 3.8053 3.8053 3.8399 3.8399 4.0241 4.0241 4.1328 4.1328 8.3351 8.3351 8.7602 8.7602 8.9181 8.9181 9.3303 9.3303 9.4850 9.4850 k = 0.0000 0.3788 0.3068 ( 14876 PWs) bands (ev): -46.4310 -46.4310 -46.4294 -46.4294 -18.4888 -18.4888 -18.4805 -18.4805 -18.3115 -18.3115 -18.3100 -18.3100 -18.3079 -18.3079 -18.2951 -18.2951 -15.4142 -15.4142 -15.3502 -15.3502 -5.8389 -5.8389 -5.7161 -5.7161 -4.1837 -4.1837 -3.9880 -3.9880 -2.8852 -2.8852 -2.7782 -2.7782 -2.5518 -2.5518 -2.4833 -2.4833 3.0972 3.0972 3.1300 3.1300 3.8055 3.8055 3.8399 3.8399 4.0039 4.0039 4.1154 4.1154 8.3661 8.3661 8.7425 8.7425 8.9575 8.9575 9.3227 9.3227 9.5092 9.5092 k = 0.0000 0.3939 0.3068 ( 14868 PWs) bands (ev): -46.4309 -46.4309 -46.4295 -46.4295 -18.4883 -18.4883 -18.4810 -18.4810 -18.3109 -18.3109 -18.3096 -18.3096 -18.3081 -18.3081 -18.2961 -18.2961 -15.4098 -15.4098 -15.3535 -15.3535 -5.8357 -5.8357 -5.7275 -5.7275 -4.1709 -4.1709 -3.9981 -3.9981 -2.8746 -2.8746 -2.7752 -2.7752 -2.5565 -2.5565 -2.4908 -2.4908 3.0849 3.0849 3.1242 3.1242 3.8093 3.8093 3.8421 3.8421 3.9845 3.9845 4.0966 4.0966 8.3941 8.3941 8.7227 8.7227 8.9950 8.9950 9.3107 9.3107 9.5370 9.5370 k = 0.0000 0.4091 0.3068 ( 14856 PWs) bands (ev): -46.4308 -46.4308 -46.4296 -46.4296 -18.4878 -18.4878 -18.4815 -18.4815 -18.3104 -18.3104 -18.3091 -18.3091 -18.3082 -18.3082 -18.2971 -18.2971 -15.4054 -15.4054 -15.3569 -15.3569 -5.8319 -5.8319 -5.7386 -5.7386 -4.1580 -4.1580 -4.0088 -4.0088 -2.8638 -2.8638 -2.7740 -2.7740 -2.5596 -2.5596 -2.4985 -2.4985 3.0752 3.0752 3.1168 3.1168 3.8158 3.8158 3.8470 3.8470 3.9659 3.9659 4.0767 4.0767 8.4200 8.4200 8.7015 8.7015 9.0299 9.0299 9.2957 9.2957 9.5683 9.5683 k = 0.0000 0.4242 0.3068 ( 14874 PWs) bands (ev): -46.4307 -46.4307 -46.4297 -46.4297 -18.4873 -18.4873 -18.4820 -18.4820 -18.3101 -18.3101 -18.3087 -18.3087 -18.3080 -18.3080 -18.2981 -18.2981 -15.4010 -15.4010 -15.3604 -15.3604 -5.8274 -5.8274 -5.7493 -5.7493 -4.1450 -4.1450 -4.0198 -4.0198 -2.8529 -2.8529 -2.7745 -2.7745 -2.5610 -2.5610 -2.5064 -2.5064 3.0681 3.0681 3.1084 3.1084 3.8238 3.8238 3.8550 3.8550 3.9483 3.9483 4.0557 4.0557 8.4445 8.4445 8.6791 8.6791 9.0617 9.0617 9.2789 9.2789 9.6029 9.6029 k = 0.0000 0.4394 0.3068 ( 14868 PWs) bands (ev): -46.4306 -46.4306 -46.4298 -46.4298 -18.4867 -18.4867 -18.4825 -18.4825 -18.3099 -18.3099 -18.3087 -18.3087 -18.3071 -18.3071 -18.2991 -18.2991 -15.3967 -15.3967 -15.3641 -15.3641 -5.8224 -5.8224 -5.7596 -5.7596 -4.1319 -4.1319 -4.0312 -4.0312 -2.8421 -2.8421 -2.7768 -2.7768 -2.5607 -2.5607 -2.5144 -2.5144 3.0635 3.0635 3.0994 3.0994 3.8324 3.8324 3.8664 3.8664 3.9319 3.9319 4.0340 4.0340 8.4682 8.4682 8.6560 8.6560 9.0905 9.0905 9.2608 9.2608 9.6408 9.6408 k = 0.0000 0.4545 0.3068 ( 14852 PWs) bands (ev): -46.4305 -46.4305 -46.4299 -46.4299 -18.4862 -18.4862 -18.4830 -18.4830 -18.3098 -18.3098 -18.3089 -18.3089 -18.3062 -18.3062 -18.3001 -18.3001 -15.3923 -15.3923 -15.3678 -15.3678 -5.8166 -5.8166 -5.7694 -5.7694 -4.1188 -4.1188 -4.0430 -4.0430 -2.8314 -2.8314 -2.7809 -2.7809 -2.5586 -2.5586 -2.5223 -2.5223 3.0615 3.0615 3.0905 3.0905 3.8413 3.8413 3.8802 3.8802 3.9176 3.9176 4.0118 4.0118 8.4915 8.4915 8.6325 8.6325 9.1167 9.1167 9.2421 9.2421 9.6819 9.6819 k = 0.0000 0.4697 0.3068 ( 14854 PWs) bands (ev): -46.4304 -46.4304 -46.4300 -46.4300 -18.4856 -18.4856 -18.4835 -18.4835 -18.3096 -18.3096 -18.3090 -18.3090 -18.3052 -18.3052 -18.3012 -18.3012 -15.3881 -15.3881 -15.3717 -15.3717 -5.8103 -5.8103 -5.7787 -5.7787 -4.1058 -4.1058 -4.0551 -4.0551 -2.8210 -2.8210 -2.7866 -2.7866 -2.5550 -2.5550 -2.5300 -2.5300 3.0618 3.0618 3.0821 3.0821 3.8507 3.8507 3.8898 3.8898 3.9115 3.9115 3.9893 3.9893 8.5147 8.5147 8.6088 8.6088 9.1405 9.1405 9.2230 9.2230 9.7259 9.7259 k = 0.0000 0.4848 0.3068 ( 14868 PWs) bands (ev): -46.4303 -46.4303 -46.4301 -46.4301 -18.4851 -18.4851 -18.4841 -18.4841 -18.3095 -18.3095 -18.3092 -18.3092 -18.3042 -18.3042 -18.3022 -18.3022 -15.3839 -15.3839 -15.3757 -15.3757 -5.8033 -5.8033 -5.7875 -5.7875 -4.0928 -4.0928 -4.0675 -4.0675 -2.8112 -2.8112 -2.7937 -2.7937 -2.5501 -2.5501 -2.5374 -2.5374 3.0643 3.0643 3.0747 3.0747 3.8608 3.8608 3.8828 3.8828 3.9250 3.9250 3.9669 3.9669 8.5379 8.5379 8.5850 8.5850 9.1626 9.1626 9.2035 9.2035 9.7727 9.7727 k = 0.0000 0.5000 0.3068 ( 14868 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4846 -18.4846 -18.4846 -18.4846 -18.3093 -18.3093 -18.3093 -18.3093 -18.3032 -18.3032 -18.3032 -18.3032 -15.3797 -15.3797 -15.3797 -15.3797 -5.7957 -5.7957 -5.7957 -5.7957 -4.0801 -4.0801 -4.0801 -4.0801 -2.8020 -2.8020 -2.8020 -2.8020 -2.5441 -2.5441 -2.5441 -2.5441 3.0686 3.0686 3.0686 3.0686 3.8716 3.8716 3.8716 3.8716 3.9451 3.9451 3.9451 3.9451 8.5614 8.5614 8.5614 8.5614 9.1835 9.1835 9.1835 9.1835 9.8222 9.8222 k = 0.0000 0.5000 0.3068 ( 14868 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4846 -18.4846 -18.4846 -18.4846 -18.3093 -18.3093 -18.3093 -18.3093 -18.3032 -18.3032 -18.3032 -18.3032 -15.3797 -15.3797 -15.3797 -15.3797 -5.7957 -5.7957 -5.7957 -5.7957 -4.0801 -4.0801 -4.0801 -4.0801 -2.8020 -2.8020 -2.8020 -2.8020 -2.5441 -2.5441 -2.5441 -2.5441 3.0686 3.0686 3.0686 3.0686 3.8716 3.8716 3.8716 3.8716 3.9451 3.9451 3.9451 3.9451 8.5614 8.5614 8.5614 8.5614 9.1835 9.1835 9.1835 9.1835 9.8222 9.8222 k = 0.0152 0.5000 0.3068 ( 14868 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4846 -18.4846 -18.4846 -18.4846 -18.3095 -18.3095 -18.3093 -18.3093 -18.3032 -18.3032 -18.3030 -18.3030 -15.3797 -15.3797 -15.3797 -15.3797 -5.7954 -5.7954 -5.7952 -5.7952 -4.0806 -4.0806 -4.0804 -4.0804 -2.8127 -2.8127 -2.7921 -2.7921 -2.5556 -2.5556 -2.5338 -2.5338 3.0686 3.0686 3.0690 3.0690 3.8719 3.8719 3.8728 3.8728 3.9425 3.9425 3.9482 3.9482 8.5597 8.5597 8.5616 8.5616 9.1811 9.1811 9.1838 9.1838 9.8272 9.8275 k = 0.0303 0.5000 0.3068 ( 14872 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4846 -18.4846 -18.4846 -18.4846 -18.3099 -18.3099 -18.3096 -18.3096 -18.3029 -18.3029 -18.3027 -18.3027 -15.3796 -15.3796 -15.3796 -15.3796 -5.7943 -5.7943 -5.7938 -5.7938 -4.0821 -4.0821 -4.0816 -4.0816 -2.8241 -2.8241 -2.7830 -2.7830 -2.5680 -2.5680 -2.5246 -2.5246 3.0688 3.0688 3.0695 3.0695 3.8735 3.8735 3.8752 3.8752 3.9403 3.9403 3.9515 3.9515 8.5566 8.5566 8.5604 8.5604 9.1772 9.1772 9.1824 9.1824 9.8428 9.8434 k = 0.0455 0.5000 0.3068 ( 14884 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4847 -18.4847 -18.4846 -18.4846 -18.3104 -18.3104 -18.3099 -18.3099 -18.3025 -18.3025 -18.3022 -18.3022 -15.3794 -15.3794 -15.3794 -15.3794 -5.7923 -5.7923 -5.7916 -5.7916 -4.0845 -4.0845 -4.0838 -4.0838 -2.8360 -2.8360 -2.7748 -2.7748 -2.5814 -2.5814 -2.5166 -2.5166 3.0694 3.0694 3.0704 3.0704 3.8765 3.8765 3.8789 3.8789 3.9386 3.9386 3.9550 3.9550 8.5521 8.5521 8.5578 8.5578 9.1724 9.1724 9.1798 9.1798 9.8678 9.8683 k = 0.0606 0.5000 0.3068 ( 14880 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4848 -18.4848 -18.4847 -18.4847 -18.3109 -18.3109 -18.3104 -18.3104 -18.3020 -18.3020 -18.3016 -18.3016 -15.3791 -15.3791 -15.3791 -15.3791 -5.7896 -5.7896 -5.7886 -5.7886 -4.0877 -4.0877 -4.0869 -4.0869 -2.8485 -2.8485 -2.7675 -2.7675 -2.5955 -2.5955 -2.5098 -2.5098 3.0704 3.0704 3.0715 3.0715 3.8810 3.8810 3.8837 3.8837 3.9372 3.9372 3.9586 3.9586 8.5464 8.5464 8.5538 8.5538 9.1678 9.1678 9.1770 9.1770 9.9014 9.9015 k = 0.0758 0.5000 0.3068 ( 14876 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4848 -18.4848 -18.4847 -18.4847 -18.3115 -18.3115 -18.3110 -18.3110 -18.3014 -18.3014 -18.3010 -18.3010 -15.3788 -15.3788 -15.3788 -15.3788 -5.7860 -5.7860 -5.7849 -5.7849 -4.0919 -4.0919 -4.0908 -4.0908 -2.8614 -2.8614 -2.7613 -2.7613 -2.6102 -2.6102 -2.5044 -2.5044 3.0719 3.0719 3.0729 3.0729 3.8869 3.8869 3.8896 3.8896 3.9361 3.9361 3.9620 3.9620 8.5395 8.5395 8.5485 8.5485 9.1645 9.1645 9.1752 9.1752 9.9415 9.9419 k = 0.0909 0.5000 0.3068 ( 14864 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4849 -18.4849 -18.4848 -18.4848 -18.3122 -18.3122 -18.3116 -18.3116 -18.3007 -18.3007 -18.3003 -18.3003 -15.3784 -15.3784 -15.3784 -15.3784 -5.7817 -5.7817 -5.7803 -5.7803 -4.0968 -4.0968 -4.0956 -4.0956 -2.8746 -2.8746 -2.7562 -2.7562 -2.6254 -2.6254 -2.5003 -2.5003 3.0739 3.0739 3.0747 3.0747 3.8942 3.8942 3.8964 3.8964 3.9352 3.9352 3.9652 3.9652 8.5318 8.5318 8.5423 8.5423 9.1634 9.1634 9.1752 9.1752 9.9862 9.9862 k = 0.1061 0.5000 0.3068 ( 14856 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4850 -18.4850 -18.4849 -18.4849 -18.3128 -18.3128 -18.3122 -18.3122 -18.3000 -18.3000 -18.2996 -18.2996 -15.3779 -15.3779 -15.3779 -15.3779 -5.7766 -5.7766 -5.7750 -5.7750 -4.1026 -4.1026 -4.1013 -4.1013 -2.8880 -2.8880 -2.7523 -2.7523 -2.6408 -2.6408 -2.4975 -2.4975 3.0765 3.0765 3.0769 3.0769 3.9028 3.9028 3.9041 3.9041 3.9343 3.9343 3.9680 3.9680 8.5235 8.5235 8.5352 8.5352 9.1652 9.1652 9.1779 9.1779 10.0353 10.0353 k = 0.1212 0.5000 0.3068 ( 14852 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4851 -18.4851 -18.4850 -18.4850 -18.3135 -18.3135 -18.3129 -18.3129 -18.2993 -18.2993 -18.2989 -18.2989 -15.3774 -15.3774 -15.3774 -15.3774 -5.7708 -5.7708 -5.7690 -5.7690 -4.1092 -4.1092 -4.1078 -4.1078 -2.9015 -2.9015 -2.7500 -2.7500 -2.6560 -2.6560 -2.4960 -2.4960 3.0797 3.0797 3.0798 3.0798 3.9124 3.9124 3.9125 3.9125 3.9333 3.9333 3.9701 3.9701 8.5150 8.5150 8.5277 8.5277 9.1703 9.1703 9.1838 9.1838 10.0872 10.0872 k = 0.1364 0.5000 0.3068 ( 14876 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4852 -18.4852 -18.4851 -18.4851 -18.3141 -18.3141 -18.3135 -18.3135 -18.2986 -18.2986 -18.2982 -18.2982 -15.3768 -15.3768 -15.3768 -15.3768 -5.7644 -5.7644 -5.7624 -5.7624 -4.1166 -4.1166 -4.1151 -4.1151 -2.9151 -2.9151 -2.7496 -2.7496 -2.6704 -2.6704 -2.4958 -2.4958 3.0830 3.0830 3.0840 3.0840 3.9211 3.9211 3.9229 3.9229 3.9324 3.9324 3.9715 3.9715 8.5066 8.5066 8.5200 8.5200 9.1791 9.1791 9.1932 9.1932 10.1408 10.1408 k = 0.1515 0.5000 0.3068 ( 14892 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4854 -18.4854 -18.4852 -18.4852 -18.3148 -18.3148 -18.3142 -18.3142 -18.2979 -18.2979 -18.2975 -18.2975 -15.3762 -15.3762 -15.3762 -15.3762 -5.7572 -5.7572 -5.7551 -5.7551 -4.1247 -4.1247 -4.1231 -4.1231 -2.9285 -2.9285 -2.7517 -2.7517 -2.6833 -2.6833 -2.4968 -2.4968 3.0871 3.0871 3.0889 3.0889 3.9261 3.9261 3.9340 3.9340 3.9353 3.9353 3.9722 3.9722 8.4988 8.4988 8.5127 8.5127 9.1915 9.1915 9.2063 9.2063 10.1943 10.1943 k = 0.1667 0.5000 0.3068 ( 14896 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4855 -18.4855 -18.4853 -18.4853 -18.3154 -18.3154 -18.3148 -18.3148 -18.2972 -18.2972 -18.2968 -18.2968 -15.3755 -15.3755 -15.3755 -15.3755 -5.7496 -5.7496 -5.7472 -5.7472 -4.1334 -4.1334 -4.1318 -4.1318 -2.9418 -2.9418 -2.7573 -2.7573 -2.6938 -2.6938 -2.4989 -2.4989 3.0919 3.0919 3.0949 3.0949 3.9245 3.9245 3.9444 3.9444 3.9450 3.9450 3.9725 3.9725 8.4919 8.4919 8.5060 8.5060 9.2077 9.2077 9.2230 9.2230 10.2453 10.2453 k = 0.1818 0.5000 0.3068 ( 14908 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4856 -18.4856 -18.4855 -18.4855 -18.3160 -18.3160 -18.3154 -18.3154 -18.2965 -18.2965 -18.2961 -18.2961 -15.3748 -15.3748 -15.3748 -15.3748 -5.7413 -5.7413 -5.7388 -5.7388 -4.1428 -4.1428 -4.1412 -4.1412 -2.9547 -2.9547 -2.7667 -2.7667 -2.7011 -2.7011 -2.5022 -2.5022 3.0977 3.0977 3.1018 3.1018 3.9208 3.9208 3.9536 3.9536 3.9552 3.9552 3.9743 3.9743 8.4864 8.4864 8.5004 8.5004 9.2275 9.2275 9.2434 9.2434 10.2887 10.2887 k = 0.1970 0.5000 0.3068 ( 14892 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4858 -18.4858 -18.4856 -18.4856 -18.3166 -18.3166 -18.3160 -18.3160 -18.2958 -18.2958 -18.2954 -18.2954 -15.3740 -15.3740 -15.3740 -15.3740 -5.7326 -5.7326 -5.7300 -5.7300 -4.1526 -4.1526 -4.1512 -4.1512 -2.9673 -2.9673 -2.7794 -2.7794 -2.7057 -2.7057 -2.5066 -2.5066 3.1043 3.1043 3.1098 3.1098 3.9157 3.9157 3.9560 3.9560 3.9665 3.9665 3.9813 3.9813 8.4825 8.4825 8.4961 8.4961 9.2508 9.2508 9.2673 9.2673 10.3156 10.3156 k = 0.2121 0.5000 0.3068 ( 14908 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4859 -18.4859 -18.4857 -18.4857 -18.3172 -18.3172 -18.3166 -18.3166 -18.2952 -18.2952 -18.2948 -18.2948 -15.3733 -15.3733 -15.3733 -15.3733 -5.7235 -5.7235 -5.7207 -5.7207 -4.1630 -4.1630 -4.1616 -4.1616 -2.9795 -2.9795 -2.7943 -2.7943 -2.7085 -2.7085 -2.5119 -2.5119 3.1120 3.1120 3.1189 3.1189 3.9093 3.9093 3.9527 3.9527 3.9781 3.9781 3.9924 3.9924 8.4806 8.4806 8.4935 8.4935 9.2775 9.2775 9.2946 9.2946 10.3210 10.3210 k = 0.2273 0.5000 0.3068 ( 14912 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4861 -18.4861 -18.4859 -18.4859 -18.3177 -18.3177 -18.3172 -18.3172 -18.2945 -18.2945 -18.2942 -18.2942 -15.3725 -15.3725 -15.3725 -15.3725 -5.7140 -5.7140 -5.7111 -5.7111 -4.1738 -4.1738 -4.1725 -4.1725 -2.9911 -2.9911 -2.8106 -2.8106 -2.7102 -2.7102 -2.5181 -2.5181 3.1208 3.1208 3.1292 3.1292 3.9014 3.9014 3.9464 3.9464 3.9899 3.9899 4.0049 4.0049 8.4807 8.4807 8.4928 8.4928 9.3073 9.3073 9.3250 9.3250 10.3121 10.3121 k = 0.2424 0.5000 0.3068 ( 14920 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4862 -18.4862 -18.4861 -18.4861 -18.3182 -18.3182 -18.3177 -18.3177 -18.2939 -18.2939 -18.2936 -18.2936 -15.3717 -15.3717 -15.3717 -15.3717 -5.7043 -5.7043 -5.7013 -5.7013 -4.1849 -4.1849 -4.1837 -4.1837 -3.0021 -3.0021 -2.8275 -2.8275 -2.7113 -2.7113 -2.5251 -2.5251 3.1307 3.1307 3.1407 3.1407 3.8921 3.8921 3.9380 3.9380 4.0016 4.0016 4.0176 4.0176 8.4829 8.4829 8.4940 8.4940 9.3401 9.3401 9.3584 9.3584 10.2969 10.2969 k = 0.2576 0.5000 0.3068 ( 14908 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4864 -18.4864 -18.4862 -18.4862 -18.3187 -18.3187 -18.3182 -18.3182 -18.2933 -18.2933 -18.2930 -18.2930 -15.3709 -15.3709 -15.3709 -15.3709 -5.6943 -5.6943 -5.6913 -5.6913 -4.1962 -4.1962 -4.1952 -4.1952 -3.0125 -3.0125 -2.8447 -2.8447 -2.7120 -2.7120 -2.5327 -2.5327 3.1419 3.1419 3.1534 3.1534 3.8812 3.8812 3.9276 3.9276 4.0132 4.0132 4.0301 4.0301 8.4874 8.4874 8.4974 8.4974 9.3757 9.3757 9.3945 9.3945 10.2790 10.2790 k = 0.2727 0.5000 0.3068 ( 14912 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4865 -18.4865 -18.4863 -18.4863 -18.3192 -18.3192 -18.3187 -18.3187 -18.2927 -18.2927 -18.2924 -18.2924 -15.3701 -15.3701 -15.3701 -15.3701 -5.6842 -5.6842 -5.6812 -5.6812 -4.2076 -4.2076 -4.2068 -4.2068 -3.0221 -3.0221 -2.8620 -2.8620 -2.7124 -2.7124 -2.5410 -2.5410 3.1541 3.1541 3.1672 3.1672 3.8689 3.8689 3.9154 3.9154 4.0245 4.0245 4.0423 4.0423 8.4941 8.4941 8.5027 8.5027 9.4139 9.4139 9.4333 9.4333 10.2601 10.2601 k = 0.2879 0.5000 0.3068 ( 14920 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4867 -18.4867 -18.4865 -18.4865 -18.3196 -18.3196 -18.3192 -18.3192 -18.2922 -18.2922 -18.2919 -18.2919 -15.3693 -15.3693 -15.3693 -15.3693 -5.6742 -5.6742 -5.6711 -5.6711 -4.2191 -4.2191 -4.2184 -4.2184 -3.0309 -3.0309 -2.8792 -2.8792 -2.7126 -2.7126 -2.5497 -2.5497 3.1676 3.1676 3.1823 3.1823 3.8551 3.8551 3.9014 3.9014 4.0355 4.0355 4.0538 4.0538 8.5029 8.5029 8.5101 8.5101 9.4545 9.4545 9.4744 9.4744 10.2409 10.2409 k = 0.3030 0.5000 0.3068 ( 14924 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4868 -18.4868 -18.4867 -18.4867 -18.3201 -18.3201 -18.3196 -18.3196 -18.2917 -18.2917 -18.2914 -18.2914 -15.3685 -15.3685 -15.3685 -15.3685 -5.6641 -5.6641 -5.6611 -5.6611 -4.2304 -4.2304 -4.2300 -4.2300 -3.0389 -3.0389 -2.8961 -2.8961 -2.7124 -2.7124 -2.5588 -2.5588 3.1823 3.1823 3.1984 3.1984 3.8399 3.8399 3.8859 3.8859 4.0460 4.0460 4.0646 4.0646 8.5135 8.5135 8.5193 8.5193 9.4972 9.4972 9.5176 9.5176 10.2219 10.2219 k = 0.3182 0.5000 0.3068 ( 14924 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4870 -18.4870 -18.4868 -18.4868 -18.3204 -18.3204 -18.3200 -18.3200 -18.2912 -18.2912 -18.2909 -18.2909 -15.3678 -15.3678 -15.3677 -15.3677 -5.6543 -5.6543 -5.6513 -5.6513 -4.2416 -4.2416 -4.2413 -4.2413 -3.0461 -3.0461 -2.9126 -2.9126 -2.7120 -2.7120 -2.5682 -2.5682 3.1981 3.1981 3.2157 3.2157 3.8233 3.8233 3.8688 3.8688 4.0560 4.0560 4.0746 4.0746 8.5259 8.5259 8.5301 8.5301 9.5418 9.5418 9.5627 9.5627 10.2034 10.2034 k = 0.3333 0.5000 0.3068 ( 14912 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4871 -18.4871 -18.4869 -18.4869 -18.3208 -18.3208 -18.3204 -18.3204 -18.2907 -18.2907 -18.2905 -18.2905 -15.3670 -15.3670 -15.3670 -15.3670 -5.6447 -5.6447 -5.6418 -5.6418 -4.2525 -4.2525 -4.2523 -4.2523 -3.0523 -3.0523 -2.9286 -2.9286 -2.7113 -2.7113 -2.5777 -2.5777 3.2149 3.2149 3.2339 3.2339 3.8056 3.8056 3.8504 3.8504 4.0654 4.0654 4.0837 4.0837 8.5395 8.5395 8.5424 8.5424 9.5880 9.5880 9.6095 9.6095 10.1857 10.1857 k = 0.3485 0.5000 0.3068 ( 14912 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4872 -18.4872 -18.4871 -18.4871 -18.3211 -18.3211 -18.3207 -18.3207 -18.2903 -18.2903 -18.2901 -18.2901 -15.3664 -15.3664 -15.3663 -15.3663 -5.6355 -5.6355 -5.6326 -5.6326 -4.2629 -4.2629 -4.2629 -4.2629 -3.0576 -3.0576 -2.9440 -2.9440 -2.7101 -2.7101 -2.5874 -2.5874 3.2328 3.2328 3.2530 3.2530 3.7868 3.7868 3.8306 3.8306 4.0742 4.0742 4.0919 4.0919 8.5542 8.5542 8.5557 8.5557 9.6357 9.6357 9.6578 9.6578 10.1691 10.1691 k = 0.3636 0.5000 0.3068 ( 14912 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4873 -18.4873 -18.4872 -18.4872 -18.3214 -18.3214 -18.3211 -18.3211 -18.2899 -18.2899 -18.2897 -18.2897 -15.3657 -15.3657 -15.3657 -15.3657 -5.6267 -5.6267 -5.6240 -5.6240 -4.2729 -4.2729 -4.2728 -4.2728 -3.0619 -3.0619 -2.9589 -2.9589 -2.7086 -2.7086 -2.5970 -2.5970 3.2514 3.2514 3.2727 3.2727 3.7672 3.7672 3.8099 3.8099 4.0823 4.0823 4.0991 4.0991 8.5695 8.5695 8.5698 8.5698 9.6844 9.6844 9.7072 9.7072 10.1537 10.1537 k = 0.3788 0.5000 0.3068 ( 14908 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4874 -18.4874 -18.4873 -18.4873 -18.3216 -18.3216 -18.3213 -18.3213 -18.2896 -18.2896 -18.2894 -18.2894 -15.3651 -15.3651 -15.3651 -15.3651 -5.6185 -5.6185 -5.6160 -5.6160 -4.2822 -4.2822 -4.2820 -4.2820 -3.0652 -3.0652 -2.9729 -2.9729 -2.7066 -2.7066 -2.6065 -2.6065 3.2708 3.2708 3.2930 3.2930 3.7470 3.7470 3.7883 3.7883 4.0898 4.0898 4.1054 4.1054 8.5843 8.5843 8.5849 8.5849 9.7337 9.7337 9.7573 9.7573 10.1402 10.1402 k = 0.3939 0.5000 0.3068 ( 14900 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4875 -18.4875 -18.4874 -18.4874 -18.3219 -18.3219 -18.3216 -18.3216 -18.2893 -18.2893 -18.2891 -18.2891 -15.3646 -15.3646 -15.3646 -15.3646 -5.6110 -5.6110 -5.6087 -5.6087 -4.2907 -4.2907 -4.2905 -4.2905 -3.0675 -3.0675 -2.9863 -2.9863 -2.7041 -2.7041 -2.6159 -2.6159 3.2907 3.2907 3.3134 3.3134 3.7266 3.7266 3.7662 3.7662 4.0965 4.0965 4.1107 4.1107 8.5986 8.5986 8.6000 8.6000 9.7831 9.7831 9.8078 9.8078 10.1288 10.1288 k = 0.4091 0.5000 0.3068 ( 14900 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4876 -18.4876 -18.4875 -18.4875 -18.3221 -18.3221 -18.3218 -18.3218 -18.2890 -18.2890 -18.2889 -18.2889 -15.3641 -15.3641 -15.3641 -15.3641 -5.6042 -5.6042 -5.6022 -5.6022 -4.2983 -4.2983 -4.2980 -4.2980 -3.0687 -3.0687 -2.9987 -2.9987 -2.7012 -2.7012 -2.6251 -2.6251 3.3109 3.3109 3.3337 3.3337 3.7065 3.7065 3.7438 3.7438 4.1025 4.1025 4.1151 4.1151 8.6125 8.6125 8.6144 8.6144 9.8317 9.8317 9.8577 9.8577 10.1206 10.1206 k = 0.4242 0.5000 0.3068 ( 14908 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4877 -18.4877 -18.4876 -18.4876 -18.3222 -18.3222 -18.3220 -18.3220 -18.2888 -18.2888 -18.2887 -18.2887 -15.3637 -15.3637 -15.3637 -15.3637 -5.5983 -5.5983 -5.5965 -5.5965 -4.3049 -4.3049 -4.3046 -4.3046 -3.0689 -3.0689 -3.0103 -3.0103 -2.6977 -2.6977 -2.6339 -2.6339 3.3308 3.3308 3.3531 3.3531 3.6873 3.6873 3.7216 3.7216 4.1077 4.1077 4.1186 4.1186 8.6253 8.6253 8.6274 8.6274 9.8782 9.8782 9.9058 9.9058 10.1165 10.1165 k = 0.4394 0.5000 0.3068 ( 14920 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4877 -18.4877 -18.4877 -18.4877 -18.3223 -18.3223 -18.3222 -18.3222 -18.2886 -18.2886 -18.2885 -18.2885 -15.3634 -15.3634 -15.3634 -15.3634 -5.5932 -5.5932 -5.5918 -5.5918 -4.3104 -4.3104 -4.3102 -4.3102 -3.0679 -3.0679 -3.0209 -3.0209 -2.6937 -2.6937 -2.6425 -2.6425 3.3502 3.3502 3.3710 3.3710 3.6697 3.6697 3.7002 3.7002 4.1123 4.1123 4.1211 4.1211 8.6366 8.6366 8.6387 8.6387 9.9204 9.9204 9.9494 9.9494 10.1184 10.1184 k = 0.4545 0.5000 0.3068 ( 14916 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4878 -18.4878 -18.4877 -18.4877 -18.3224 -18.3224 -18.3223 -18.3223 -18.2884 -18.2884 -18.2884 -18.2884 -15.3631 -15.3631 -15.3631 -15.3631 -5.5892 -5.5892 -5.5881 -5.5881 -4.3148 -4.3148 -4.3146 -4.3146 -3.0659 -3.0659 -3.0305 -3.0305 -2.6891 -2.6891 -2.6506 -2.6506 3.3681 3.3681 3.3862 3.3862 3.6549 3.6549 3.6803 3.6803 4.1161 4.1161 4.1228 4.1228 8.6461 8.6461 8.6479 8.6479 9.9555 9.9555 9.9837 9.9837 10.1263 10.1263 k = 0.4697 0.5000 0.3068 ( 14924 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4878 -18.4878 -18.4878 -18.4878 -18.3225 -18.3225 -18.3224 -18.3224 -18.2883 -18.2883 -18.2883 -18.2883 -15.3629 -15.3629 -15.3629 -15.3629 -5.5863 -5.5863 -5.5855 -5.5855 -4.3179 -4.3179 -4.3178 -4.3178 -3.0627 -3.0627 -3.0391 -3.0391 -2.6840 -2.6840 -2.6583 -2.6583 3.3837 3.3837 3.3974 3.3974 3.6444 3.6444 3.6629 3.6629 4.1191 4.1191 4.1237 4.1237 8.6532 8.6532 8.6546 8.6546 9.9810 9.9810 10.0034 10.0034 10.1415 10.1415 k = 0.4848 0.5000 0.3068 ( 14920 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4878 -18.4878 -18.4878 -18.4878 -18.3225 -18.3225 -18.3225 -18.3225 -18.2882 -18.2882 -18.2882 -18.2882 -15.3628 -15.3628 -15.3628 -15.3628 -5.5844 -5.5844 -5.5840 -5.5840 -4.3198 -4.3198 -4.3197 -4.3197 -3.0585 -3.0585 -3.0467 -3.0467 -2.6783 -2.6783 -2.6655 -2.6655 3.3957 3.3957 3.4032 3.4032 3.6395 3.6395 3.6494 3.6494 4.1214 4.1214 4.1237 4.1237 8.6578 8.6578 8.6586 8.6586 9.9973 9.9973 10.0093 10.0093 10.1628 10.1628 k = 0.5000 0.5000 0.3068 ( 14912 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4878 -18.4878 -18.4878 -18.4878 -18.3225 -18.3225 -18.3225 -18.3225 -18.2882 -18.2882 -18.2882 -18.2882 -15.3628 -15.3628 -15.3628 -15.3628 -5.5836 -5.5836 -5.5836 -5.5836 -4.3204 -4.3204 -4.3204 -4.3204 -3.0531 -3.0531 -3.0531 -3.0531 -2.6722 -2.6722 -2.6722 -2.6722 3.4025 3.4025 3.4025 3.4025 3.6413 3.6413 3.6413 3.6413 4.1229 4.1229 4.1229 4.1229 8.6596 8.6596 8.6596 8.6596 10.0064 10.0064 10.0064 10.0064 10.1743 10.1743 k = 0.5000 0.5000 0.3068 ( 14912 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4878 -18.4878 -18.4878 -18.4878 -18.3225 -18.3225 -18.3225 -18.3225 -18.2882 -18.2882 -18.2882 -18.2882 -15.3628 -15.3628 -15.3628 -15.3628 -5.5836 -5.5836 -5.5836 -5.5836 -4.3204 -4.3204 -4.3204 -4.3204 -3.0531 -3.0531 -3.0531 -3.0531 -2.6722 -2.6722 -2.6722 -2.6722 3.4025 3.4025 3.4025 3.4025 3.6413 3.6413 3.6413 3.6413 4.1229 4.1229 4.1229 4.1229 8.6596 8.6596 8.6596 8.6596 10.0064 10.0064 10.0064 10.0064 10.1743 10.1743 k = 0.4894 0.4894 0.3068 ( 14920 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4878 -18.4878 -18.4878 -18.4878 -18.3225 -18.3225 -18.3225 -18.3225 -18.2883 -18.2883 -18.2882 -18.2882 -15.3629 -15.3629 -15.3627 -15.3627 -5.5844 -5.5844 -5.5840 -5.5840 -4.3202 -4.3202 -4.3194 -4.3194 -3.0585 -3.0585 -3.0467 -3.0467 -2.6783 -2.6783 -2.6655 -2.6655 3.3944 3.3944 3.4046 3.4046 3.6388 3.6388 3.6500 3.6500 4.1213 4.1213 4.1238 4.1238 8.6569 8.6569 8.6596 8.6596 9.9951 9.9951 10.0114 10.0114 10.1561 10.1561 k = 0.4787 0.4787 0.3068 ( 14924 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4878 -18.4878 -18.4877 -18.4877 -18.3225 -18.3225 -18.3224 -18.3224 -18.2884 -18.2884 -18.2882 -18.2882 -15.3633 -15.3633 -15.3625 -15.3625 -5.5866 -5.5866 -5.5851 -5.5851 -4.3195 -4.3195 -4.3163 -4.3163 -3.0628 -3.0628 -3.0391 -3.0391 -2.6839 -2.6839 -2.6584 -2.6584 3.3765 3.3765 3.4061 3.4061 3.6395 3.6395 3.6663 3.6663 4.1182 4.1182 4.1246 4.1246 8.6490 8.6490 8.6592 8.6592 9.9653 9.9653 10.0179 10.0179 10.1294 10.1294 k = 0.4681 0.4681 0.3068 ( 14920 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4879 -18.4879 -18.4876 -18.4876 -18.3225 -18.3225 -18.3223 -18.3223 -18.2885 -18.2885 -18.2882 -18.2882 -15.3640 -15.3640 -15.3622 -15.3622 -5.5901 -5.5901 -5.5871 -5.5871 -4.3183 -4.3183 -4.3113 -4.3113 -3.0662 -3.0662 -3.0304 -3.0304 -2.6890 -2.6890 -2.6508 -2.6508 3.3513 3.3513 3.4082 3.4082 3.6420 3.6420 3.6881 3.6881 4.1135 4.1135 4.1255 4.1255 8.6366 8.6366 8.6586 8.6586 9.9144 9.9144 10.0271 10.0271 10.1184 10.1184 k = 0.4574 0.4574 0.3068 ( 14922 PWs) bands (ev): -46.4302 -46.4302 -46.4301 -46.4301 -18.4879 -18.4879 -18.4875 -18.4875 -18.3224 -18.3224 -18.3221 -18.3221 -18.2888 -18.2888 -18.2883 -18.2883 -15.3649 -15.3649 -15.3618 -15.3618 -5.5949 -5.5949 -5.5898 -5.5898 -4.3167 -4.3167 -4.3043 -4.3043 -3.0687 -3.0687 -3.0204 -3.0204 -2.6935 -2.6935 -2.6428 -2.6428 3.3217 3.3217 3.4111 3.4111 3.6457 3.6457 3.7127 3.7127 4.1070 4.1070 4.1267 4.1267 8.6207 8.6207 8.6577 8.6577 9.8516 9.8516 10.0385 10.0385 10.1216 10.1216 k = 0.4468 0.4468 0.3068 ( 14910 PWs) bands (ev): -46.4302 -46.4302 -46.4301 -46.4301 -18.4880 -18.4880 -18.4873 -18.4873 -18.3224 -18.3224 -18.3219 -18.3219 -18.2891 -18.2891 -18.2883 -18.2883 -15.3661 -15.3661 -15.3613 -15.3613 -5.6009 -5.6009 -5.5930 -5.5930 -4.3147 -4.3147 -4.2956 -4.2956 -3.0704 -3.0704 -3.0092 -3.0092 -2.6974 -2.6974 -2.6345 -2.6345 3.2899 3.2899 3.4148 3.4148 3.6504 3.6504 3.7380 3.7380 4.0988 4.0988 4.1281 4.1281 8.6027 8.6027 8.6565 8.6565 9.7855 9.7855 10.0511 10.0511 10.1332 10.1332 k = 0.4362 0.4362 0.3068 ( 14926 PWs) bands (ev): -46.4303 -46.4303 -46.4301 -46.4301 -18.4880 -18.4880 -18.4871 -18.4871 -18.3223 -18.3223 -18.3216 -18.3216 -18.2896 -18.2896 -18.2883 -18.2883 -15.3676 -15.3676 -15.3607 -15.3607 -5.6082 -5.6082 -5.5968 -5.5968 -4.3124 -4.3124 -4.2853 -4.2853 -3.0715 -3.0715 -2.9967 -2.9967 -2.7007 -2.7007 -2.6259 -2.6259 3.2575 3.2575 3.4193 3.4193 3.6560 3.6560 3.7626 3.7626 4.0888 4.0888 4.1299 4.1299 8.5837 8.5837 8.6551 8.6551 9.7205 9.7205 10.0638 10.0638 10.1501 10.1501 k = 0.4255 0.4255 0.3068 ( 14930 PWs) bands (ev): -46.4303 -46.4303 -46.4301 -46.4301 -18.4881 -18.4881 -18.4869 -18.4869 -18.3222 -18.3222 -18.3213 -18.3213 -18.2900 -18.2900 -18.2883 -18.2883 -15.3693 -15.3693 -15.3599 -15.3599 -5.6164 -5.6164 -5.6010 -5.6010 -4.3098 -4.3098 -4.2734 -4.2734 -3.0720 -3.0720 -2.9829 -2.9829 -2.7035 -2.7035 -2.6171 -2.6171 3.2253 3.2253 3.4247 3.4247 3.6625 3.6625 3.7856 3.7856 4.0773 4.0773 4.1320 4.1320 8.5652 8.5652 8.6533 8.6533 9.6586 9.6586 10.0758 10.0758 10.1703 10.1703 k = 0.4149 0.4149 0.3068 ( 14946 PWs) bands (ev): -46.4303 -46.4303 -46.4300 -46.4300 -18.4882 -18.4882 -18.4866 -18.4866 -18.3221 -18.3221 -18.3209 -18.3209 -18.2906 -18.2906 -18.2884 -18.2884 -15.3712 -15.3712 -15.3591 -15.3591 -5.6256 -5.6256 -5.6054 -5.6054 -4.3071 -4.3071 -4.2603 -4.2603 -3.0720 -3.0720 -2.9678 -2.9678 -2.7057 -2.7057 -2.6083 -2.6083 3.1942 3.1942 3.4308 3.4308 3.6695 3.6695 3.8065 3.8065 4.0643 4.0643 4.1345 4.1345 8.5483 8.5483 8.6512 8.6512 9.6008 9.6008 10.0859 10.0859 10.1902 10.1902 k = 0.4043 0.4043 0.3068 ( 14930 PWs) bands (ev): -46.4304 -46.4304 -46.4300 -46.4300 -18.4883 -18.4883 -18.4863 -18.4863 -18.3220 -18.3220 -18.3205 -18.3205 -18.2912 -18.2912 -18.2884 -18.2884 -15.3734 -15.3734 -15.3582 -15.3582 -5.6356 -5.6356 -5.6100 -5.6100 -4.3042 -4.3042 -4.2461 -4.2461 -3.0717 -3.0717 -2.9513 -2.9513 -2.7074 -2.7074 -2.5994 -2.5994 3.1648 3.1648 3.4378 3.4378 3.6768 3.6768 3.8248 3.8248 4.0502 4.0502 4.1372 4.1372 8.5342 8.5342 8.6488 8.6488 9.5479 9.5479 10.0926 10.0926 10.2004 10.2004 k = 0.3936 0.3936 0.3068 ( 14934 PWs) bands (ev): -46.4304 -46.4304 -46.4299 -46.4299 -18.4884 -18.4884 -18.4859 -18.4859 -18.3219 -18.3219 -18.3201 -18.3201 -18.2918 -18.2918 -18.2884 -18.2884 -15.3758 -15.3758 -15.3571 -15.3571 -5.6462 -5.6462 -5.6146 -5.6146 -4.3012 -4.3012 -4.2309 -4.2309 -3.0710 -3.0710 -2.9336 -2.9336 -2.7085 -2.7085 -2.5907 -2.5907 3.1374 3.1374 3.4455 3.4455 3.6842 3.6842 3.8403 3.8403 4.0352 4.0352 4.1402 4.1402 8.5237 8.5237 8.6459 8.6459 9.4999 9.4999 10.0940 10.0940 10.2054 10.2055 k = 0.3830 0.3830 0.3068 ( 14934 PWs) bands (ev): -46.4305 -46.4305 -46.4299 -46.4299 -18.4886 -18.4886 -18.4856 -18.4856 -18.3218 -18.3218 -18.3196 -18.3196 -18.2925 -18.2925 -18.2884 -18.2884 -15.3784 -15.3784 -15.3560 -15.3560 -5.6574 -5.6574 -5.6191 -5.6191 -4.2982 -4.2982 -4.2150 -4.2150 -3.0702 -3.0702 -2.9146 -2.9146 -2.7092 -2.7092 -2.5822 -2.5822 3.1124 3.1124 3.4541 3.4541 3.6912 3.6912 3.8527 3.8527 4.0199 4.0199 4.1436 4.1436 8.5176 8.5176 8.6424 8.6424 9.4571 9.4571 10.0877 10.0877 10.1900 10.1900 k = 0.3723 0.3723 0.3068 ( 14926 PWs) bands (ev): -46.4305 -46.4305 -46.4298 -46.4298 -18.4887 -18.4887 -18.4852 -18.4852 -18.3216 -18.3216 -18.3190 -18.3190 -18.2933 -18.2933 -18.2885 -18.2885 -15.3812 -15.3812 -15.3548 -15.3548 -5.6689 -5.6689 -5.6233 -5.6233 -4.2953 -4.2953 -4.1986 -4.1986 -3.0693 -3.0693 -2.8944 -2.8944 -2.7095 -2.7095 -2.5739 -2.5739 3.0902 3.0902 3.4635 3.4635 3.6972 3.6972 3.8620 3.8620 4.0050 4.0050 4.1473 4.1473 8.5166 8.5166 8.6382 8.6382 9.4194 9.4194 10.0717 10.0717 10.1761 10.1762 k = 0.3617 0.3617 0.3068 ( 14922 PWs) bands (ev): -46.4306 -46.4306 -46.4298 -46.4298 -18.4888 -18.4888 -18.4848 -18.4848 -18.3215 -18.3215 -18.3185 -18.3185 -18.2941 -18.2941 -18.2885 -18.2885 -15.3842 -15.3842 -15.3535 -15.3535 -5.6807 -5.6807 -5.6273 -5.6273 -4.2926 -4.2926 -4.1817 -4.1817 -3.0682 -3.0682 -2.8730 -2.8730 -2.7094 -2.7094 -2.5661 -2.5661 3.0708 3.0708 3.4737 3.4737 3.7015 3.7015 3.8682 3.8682 3.9914 3.9914 4.1513 4.1513 8.5209 8.5209 8.6332 8.6332 9.3865 9.3865 10.0463 10.0463 10.1658 10.1658 k = 0.3511 0.3511 0.3068 ( 14914 PWs) bands (ev): -46.4306 -46.4306 -46.4297 -46.4297 -18.4890 -18.4890 -18.4843 -18.4843 -18.3214 -18.3214 -18.3179 -18.3179 -18.2949 -18.2949 -18.2885 -18.2885 -15.3873 -15.3873 -15.3521 -15.3521 -5.6927 -5.6927 -5.6308 -5.6308 -4.2901 -4.2901 -4.1646 -4.1646 -3.0671 -3.0671 -2.8506 -2.8506 -2.7090 -2.7090 -2.5588 -2.5588 3.0546 3.0546 3.4847 3.4847 3.7033 3.7033 3.8715 3.8715 3.9800 3.9800 4.1556 4.1556 8.5308 8.5308 8.6271 8.6271 9.3581 9.3581 10.0141 10.0141 10.1574 10.1574 k = 0.3404 0.3404 0.3068 ( 14906 PWs) bands (ev): -46.4307 -46.4307 -46.4297 -46.4297 -18.4892 -18.4892 -18.4839 -18.4839 -18.3212 -18.3212 -18.3172 -18.3172 -18.2958 -18.2958 -18.2885 -18.2885 -15.3907 -15.3907 -15.3507 -15.3507 -5.7046 -5.7046 -5.6338 -5.6338 -4.2878 -4.2878 -4.1474 -4.1474 -3.0660 -3.0660 -2.8274 -2.8274 -2.7085 -2.7085 -2.5520 -2.5520 3.0416 3.0416 3.4964 3.4964 3.7019 3.7019 3.8721 3.8721 3.9718 3.9718 4.1603 4.1603 8.5463 8.5463 8.6197 8.6197 9.3339 9.3339 9.9773 9.9773 10.1492 10.1492 k = 0.3298 0.3298 0.3068 ( 14918 PWs) bands (ev): -46.4308 -46.4308 -46.4296 -46.4296 -18.4894 -18.4894 -18.4834 -18.4834 -18.3211 -18.3211 -18.3166 -18.3166 -18.2967 -18.2967 -18.2885 -18.2885 -15.3941 -15.3941 -15.3492 -15.3492 -5.7164 -5.7164 -5.6363 -5.6363 -4.2858 -4.2858 -4.1303 -4.1303 -3.0648 -3.0648 -2.8033 -2.8033 -2.7080 -2.7080 -2.5457 -2.5457 3.0317 3.0317 3.5089 3.5089 3.6964 3.6964 3.8705 3.8705 3.9677 3.9677 4.1653 4.1653 8.5665 8.5665 8.6114 8.6114 9.3132 9.3132 9.9374 9.9374 10.1400 10.1400 k = 0.3191 0.3191 0.3068 ( 14920 PWs) bands (ev): -46.4308 -46.4308 -46.4295 -46.4295 -18.4896 -18.4896 -18.4830 -18.4830 -18.3209 -18.3209 -18.3159 -18.3159 -18.2976 -18.2976 -18.2885 -18.2885 -15.3977 -15.3977 -15.3477 -15.3477 -5.7280 -5.7280 -5.6380 -5.6380 -4.2843 -4.2843 -4.1132 -4.1132 -3.0635 -3.0635 -2.7788 -2.7788 -2.7075 -2.7075 -2.5400 -2.5400 3.0250 3.0250 3.5221 3.5221 3.6869 3.6869 3.8670 3.8670 3.9678 3.9678 4.1707 4.1707 8.5841 8.5841 8.6086 8.6086 9.2956 9.2956 9.8956 9.8956 10.1271 10.1271 k = 0.3085 0.3085 0.3068 ( 14916 PWs) bands (ev): -46.4309 -46.4309 -46.4295 -46.4295 -18.4898 -18.4898 -18.4825 -18.4825 -18.3207 -18.3207 -18.3153 -18.3153 -18.2986 -18.2986 -18.2884 -18.2884 -15.4014 -15.4014 -15.3461 -15.3461 -5.7393 -5.7393 -5.6391 -5.6391 -4.2831 -4.2831 -4.0965 -4.0965 -3.0622 -3.0622 -2.7539 -2.7539 -2.7074 -2.7074 -2.5347 -2.5347 3.0213 3.0213 3.5361 3.5361 3.6737 3.6737 3.8622 3.8622 3.9722 3.9722 4.1764 4.1764 8.5770 8.5770 8.6325 8.6325 9.2803 9.2803 9.8525 9.8525 10.0940 10.0940 k = 0.2979 0.2979 0.3068 ( 14918 PWs) bands (ev): -46.4310 -46.4310 -46.4294 -46.4294 -18.4900 -18.4900 -18.4821 -18.4821 -18.3206 -18.3206 -18.3146 -18.3146 -18.2996 -18.2996 -18.2884 -18.2884 -15.4052 -15.4052 -15.3445 -15.3445 -5.7501 -5.7501 -5.6395 -5.6395 -4.2823 -4.2823 -4.0801 -4.0801 -3.0607 -3.0607 -2.7292 -2.7292 -2.7073 -2.7073 -2.5298 -2.5298 3.0203 3.0203 3.5508 3.5508 3.6576 3.6576 3.8565 3.8565 3.9801 3.9801 4.1825 4.1825 8.5591 8.5591 8.6680 8.6680 9.2667 9.2667 9.8089 9.8089 10.0103 10.0103 k = 0.2872 0.2872 0.3068 ( 14910 PWs) bands (ev): -46.4311 -46.4311 -46.4293 -46.4293 -18.4902 -18.4902 -18.4816 -18.4816 -18.3205 -18.3205 -18.3139 -18.3139 -18.3005 -18.3005 -18.2883 -18.2883 -15.4091 -15.4091 -15.3428 -15.3428 -5.7605 -5.7605 -5.6392 -5.6392 -4.2820 -4.2820 -4.0641 -4.0641 -3.0592 -3.0592 -2.7117 -2.7117 -2.7009 -2.7009 -2.5252 -2.5252 3.0217 3.0217 3.5661 3.5661 3.6397 3.6397 3.8506 3.8506 3.9910 3.9910 4.1889 4.1889 8.5356 8.5356 8.7080 8.7080 9.2539 9.2539 9.7656 9.7656 9.9194 9.9194 k = 0.2766 0.2766 0.3068 ( 14902 PWs) bands (ev): -46.4311 -46.4311 -46.4292 -46.4292 -18.4905 -18.4905 -18.4811 -18.4811 -18.3203 -18.3203 -18.3132 -18.3132 -18.3015 -18.3015 -18.2882 -18.2882 -15.4131 -15.4131 -15.3412 -15.3412 -5.7703 -5.7703 -5.6380 -5.6380 -4.2822 -4.2822 -4.0485 -4.0485 -3.0575 -3.0575 -2.7121 -2.7121 -2.6775 -2.6775 -2.5207 -2.5207 3.0251 3.0251 3.5818 3.5818 3.6211 3.6211 3.8451 3.8451 4.0042 4.0042 4.1958 4.1958 8.5065 8.5065 8.7507 8.7507 9.2408 9.2408 9.7236 9.7236 9.8360 9.8360 k = 0.2660 0.2660 0.3068 ( 14902 PWs) bands (ev): -46.4312 -46.4312 -46.4292 -46.4292 -18.4908 -18.4908 -18.4806 -18.4806 -18.3202 -18.3202 -18.3125 -18.3125 -18.3024 -18.3024 -18.2880 -18.2880 -15.4170 -15.4170 -15.3395 -15.3395 -5.7795 -5.7795 -5.6362 -5.6362 -4.2828 -4.2828 -4.0336 -4.0336 -3.0556 -3.0556 -2.7150 -2.7150 -2.6532 -2.6532 -2.5162 -2.5162 3.0299 3.0299 3.5956 3.5956 3.6052 3.6052 3.8405 3.8405 4.0189 4.0189 4.2030 4.2030 8.4712 8.4712 8.7943 8.7943 9.2263 9.2263 9.6839 9.6839 9.7624 9.7624 k = 0.2553 0.2553 0.3068 ( 14898 PWs) bands (ev): -46.4313 -46.4313 -46.4291 -46.4291 -18.4910 -18.4910 -18.4802 -18.4802 -18.3201 -18.3201 -18.3118 -18.3118 -18.3034 -18.3034 -18.2879 -18.2879 -15.4211 -15.4211 -15.3378 -15.3378 -5.7880 -5.7880 -5.6336 -5.6336 -4.2839 -4.2839 -4.0192 -4.0192 -3.0535 -3.0535 -2.7192 -2.7192 -2.6294 -2.6294 -2.5116 -2.5116 3.0357 3.0357 3.5832 3.5832 3.6169 3.6169 3.8377 3.8377 4.0347 4.0347 4.2105 4.2105 8.4294 8.4294 8.8367 8.8367 9.2091 9.2091 9.6481 9.6481 9.7000 9.7000 k = 0.2447 0.2447 0.3068 ( 14898 PWs) bands (ev): -46.4314 -46.4314 -46.4290 -46.4290 -18.4913 -18.4913 -18.4797 -18.4797 -18.3201 -18.3201 -18.3111 -18.3111 -18.3043 -18.3043 -18.2877 -18.2877 -15.4251 -15.4251 -15.3361 -15.3361 -5.7957 -5.7957 -5.6302 -5.6302 -4.2855 -4.2855 -4.0055 -4.0055 -3.0512 -3.0512 -2.7248 -2.7248 -2.6064 -2.6064 -2.5067 -2.5067 3.0416 3.0416 3.5669 3.5669 3.6343 3.6343 3.8374 3.8374 4.0511 4.0511 4.2184 4.2184 8.3810 8.3810 8.8748 8.8748 9.1877 9.1877 9.6170 9.6170 9.6504 9.6504 k = 0.2340 0.2340 0.3068 ( 14886 PWs) bands (ev): -46.4314 -46.4314 -46.4289 -46.4289 -18.4916 -18.4916 -18.4793 -18.4793 -18.3200 -18.3200 -18.3105 -18.3105 -18.3051 -18.3051 -18.2875 -18.2875 -15.4291 -15.4291 -15.3344 -15.3344 -5.8028 -5.8028 -5.6262 -5.6262 -4.2875 -4.2875 -3.9924 -3.9924 -3.0488 -3.0488 -2.7317 -2.7317 -2.5844 -2.5844 -2.5014 -2.5014 3.0470 3.0470 3.5525 3.5525 3.6525 3.6525 3.8402 3.8402 4.0676 4.0676 4.2266 4.2266 8.3263 8.3263 8.9054 8.9054 9.1606 9.1606 9.5891 9.5891 9.6175 9.6175 k = 0.2234 0.2234 0.3068 ( 14886 PWs) bands (ev): -46.4315 -46.4315 -46.4289 -46.4289 -18.4919 -18.4919 -18.4788 -18.4788 -18.3200 -18.3200 -18.3099 -18.3099 -18.3059 -18.3059 -18.2872 -18.2872 -15.4331 -15.4331 -15.3328 -15.3328 -5.8090 -5.8090 -5.6216 -5.6216 -4.2899 -4.2899 -3.9800 -3.9800 -3.0461 -3.0461 -2.7399 -2.7399 -2.5635 -2.5635 -2.4957 -2.4957 3.0514 3.0514 3.5404 3.5404 3.6712 3.6712 3.8468 3.8468 4.0840 4.0840 4.2351 4.2351 8.2661 8.2661 8.9249 8.9249 9.1268 9.1268 9.5628 9.5628 9.6048 9.6048 k = 0.2128 0.2128 0.3068 ( 14894 PWs) bands (ev): -46.4316 -46.4316 -46.4288 -46.4288 -18.4922 -18.4922 -18.4784 -18.4784 -18.3200 -18.3200 -18.3093 -18.3093 -18.3067 -18.3067 -18.2869 -18.2869 -15.4370 -15.4370 -15.3311 -15.3311 -5.8146 -5.8146 -5.6163 -5.6163 -4.2927 -4.2927 -3.9684 -3.9684 -3.0433 -3.0433 -2.7493 -2.7493 -2.5440 -2.5440 -2.4896 -2.4896 3.0542 3.0542 3.5311 3.5311 3.6904 3.6904 3.8576 3.8576 4.0998 4.0998 4.2440 4.2440 8.2014 8.2014 8.9307 8.9307 9.0864 9.0864 9.5415 9.5415 9.5868 9.5868 k = 0.2021 0.2021 0.3068 ( 14894 PWs) bands (ev): -46.4317 -46.4317 -46.4287 -46.4287 -18.4925 -18.4925 -18.4780 -18.4780 -18.3200 -18.3200 -18.3087 -18.3087 -18.3075 -18.3075 -18.2866 -18.2866 -15.4409 -15.4409 -15.3295 -15.3295 -5.8193 -5.8193 -5.6106 -5.6106 -4.2959 -4.2959 -3.9575 -3.9575 -3.0403 -3.0403 -2.7598 -2.7598 -2.5260 -2.5260 -2.4831 -2.4831 3.0549 3.0549 3.5250 3.5250 3.7099 3.7099 3.8728 3.8728 4.1147 4.1147 4.2531 4.2531 8.1332 8.1332 8.9223 8.9223 9.0402 9.0402 9.5123 9.5123 9.5295 9.5295 k = 0.1915 0.1915 0.3068 ( 14908 PWs) bands (ev): -46.4317 -46.4317 -46.4287 -46.4287 -18.4928 -18.4928 -18.4777 -18.4777 -18.3201 -18.3201 -18.3083 -18.3083 -18.3081 -18.3081 -18.2863 -18.2863 -15.4446 -15.4446 -15.3279 -15.3279 -5.8233 -5.8233 -5.6044 -5.6044 -4.2994 -4.2994 -3.9473 -3.9473 -3.0372 -3.0372 -2.7711 -2.7711 -2.5095 -2.5095 -2.4762 -2.4762 3.0534 3.0534 3.5221 3.5221 3.7297 3.7297 3.8925 3.8925 4.1284 4.1284 4.2625 4.2625 8.0627 8.0627 8.9012 8.9012 8.9901 8.9901 9.4212 9.4212 9.5199 9.5199 k = 0.1809 0.1809 0.3068 ( 14892 PWs) bands (ev): -46.4318 -46.4318 -46.4286 -46.4286 -18.4931 -18.4931 -18.4773 -18.4773 -18.3202 -18.3202 -18.3087 -18.3087 -18.3078 -18.3078 -18.2859 -18.2859 -15.4483 -15.4483 -15.3264 -15.3264 -5.8266 -5.8266 -5.5978 -5.5978 -4.3031 -4.3031 -3.9379 -3.9379 -3.0341 -3.0341 -2.7831 -2.7831 -2.4946 -2.4946 -2.4690 -2.4690 3.0496 3.0496 3.5228 3.5228 3.7496 3.7496 3.9164 3.9164 4.1407 4.1407 4.2721 4.2721 7.9910 7.9910 8.8699 8.8699 8.9379 8.9379 9.3279 9.3279 9.5169 9.5169 k = 0.1702 0.1702 0.3068 ( 14900 PWs) bands (ev): -46.4319 -46.4319 -46.4285 -46.4285 -18.4934 -18.4934 -18.4769 -18.4769 -18.3204 -18.3204 -18.3093 -18.3093 -18.3074 -18.3074 -18.2855 -18.2855 -15.4519 -15.4519 -15.3249 -15.3249 -5.8293 -5.8293 -5.5909 -5.5909 -4.3071 -4.3071 -3.9293 -3.9293 -3.0309 -3.0309 -2.7956 -2.7956 -2.4815 -2.4815 -2.4616 -2.4616 3.0438 3.0438 3.5270 3.5270 3.7695 3.7695 3.9443 3.9443 4.1513 4.1513 4.2819 4.2819 7.9192 7.9192 8.8314 8.8314 8.8854 8.8854 9.2368 9.2368 9.5184 9.5184 k = 0.1596 0.1596 0.3068 ( 14902 PWs) bands (ev): -46.4319 -46.4319 -46.4285 -46.4285 -18.4936 -18.4936 -18.4766 -18.4766 -18.3206 -18.3206 -18.3097 -18.3097 -18.3070 -18.3070 -18.2851 -18.2851 -15.4553 -15.4553 -15.3235 -15.3235 -5.8312 -5.8312 -5.5838 -5.5838 -4.3112 -4.3112 -3.9213 -3.9213 -3.0278 -3.0278 -2.8082 -2.8082 -2.4699 -2.4699 -2.4541 -2.4541 3.0360 3.0360 3.5348 3.5348 3.7892 3.7892 3.9755 3.9755 4.1599 4.1599 4.2919 4.2919 7.8482 7.8482 8.7880 8.7880 8.8339 8.8339 9.1488 9.1488 9.5233 9.5233 k = 0.1489 0.1489 0.3068 ( 14902 PWs) bands (ev): -46.4320 -46.4320 -46.4284 -46.4284 -18.4939 -18.4939 -18.4763 -18.4763 -18.3208 -18.3208 -18.3101 -18.3101 -18.3067 -18.3067 -18.2847 -18.2847 -15.4586 -15.4586 -15.3222 -15.3222 -5.8326 -5.8326 -5.5766 -5.5766 -4.3154 -4.3154 -3.9142 -3.9142 -3.0249 -3.0249 -2.8208 -2.8208 -2.4598 -2.4598 -2.4466 -2.4466 3.0268 3.0268 3.5462 3.5462 3.8086 3.8086 4.0093 4.0093 4.1662 4.1662 4.3019 4.3019 7.7787 7.7787 8.7421 8.7421 8.7843 8.7843 9.0645 9.0645 9.5312 9.5312 k = 0.1383 0.1383 0.3068 ( 14908 PWs) bands (ev): -46.4321 -46.4321 -46.4283 -46.4283 -18.4942 -18.4942 -18.4760 -18.4760 -18.3211 -18.3211 -18.3104 -18.3104 -18.3064 -18.3064 -18.2842 -18.2842 -15.4618 -15.4618 -15.3209 -15.3209 -5.8334 -5.8334 -5.5694 -5.5694 -4.3197 -4.3197 -3.9077 -3.9077 -3.0221 -3.0221 -2.8331 -2.8331 -2.4509 -2.4509 -2.4396 -2.4396 3.0165 3.0165 3.5610 3.5610 3.8275 3.8275 4.0450 4.0450 4.1701 4.1701 4.3121 4.3121 7.7115 7.7115 8.6953 8.6953 8.7369 8.7369 8.9843 8.9843 9.5417 9.5417 k = 0.1277 0.1277 0.3068 ( 14912 PWs) bands (ev): -46.4321 -46.4321 -46.4283 -46.4283 -18.4945 -18.4945 -18.4758 -18.4758 -18.3214 -18.3214 -18.3107 -18.3107 -18.3061 -18.3061 -18.2838 -18.2838 -15.4648 -15.4648 -15.3197 -15.3197 -5.8338 -5.8338 -5.5622 -5.5622 -4.3240 -4.3240 -3.9019 -3.9019 -3.0197 -3.0197 -2.8450 -2.8450 -2.4430 -2.4430 -2.4331 -2.4331 3.0054 3.0054 3.5792 3.5792 3.8459 3.8459 4.0816 4.0816 4.1714 4.1714 4.3223 4.3223 7.6472 7.6472 8.6490 8.6490 8.6922 8.6922 8.9085 8.9085 9.5547 9.5547 k = 0.1170 0.1170 0.3068 ( 14888 PWs) bands (ev): -46.4322 -46.4322 -46.4282 -46.4282 -18.4947 -18.4947 -18.4755 -18.4755 -18.3217 -18.3217 -18.3109 -18.3109 -18.3059 -18.3059 -18.2833 -18.2833 -15.4675 -15.4675 -15.3185 -15.3185 -5.8337 -5.8337 -5.5552 -5.5552 -4.3282 -4.3282 -3.8968 -3.8968 -3.0176 -3.0176 -2.8561 -2.8561 -2.4360 -2.4360 -2.4274 -2.4274 2.9940 2.9940 3.6005 3.6005 3.8635 3.8635 4.1184 4.1184 4.1698 4.1698 4.3326 4.3326 7.5862 7.5862 8.6039 8.6039 8.6507 8.6507 8.8375 8.8375 9.5700 9.5700 k = 0.1064 0.1064 0.3068 ( 14888 PWs) bands (ev): -46.4322 -46.4322 -46.4282 -46.4282 -18.4949 -18.4949 -18.4753 -18.4753 -18.3220 -18.3220 -18.3110 -18.3110 -18.3057 -18.3057 -18.2829 -18.2829 -15.4701 -15.4701 -15.3175 -15.3175 -5.8333 -5.8333 -5.5485 -5.5485 -4.3323 -4.3323 -3.8923 -3.8923 -3.0161 -3.0161 -2.8662 -2.8662 -2.4298 -2.4298 -2.4223 -2.4223 2.9825 2.9825 3.6246 3.6246 3.8802 3.8802 4.1541 4.1541 4.1656 4.1656 4.3429 4.3429 7.5291 7.5291 8.5609 8.5609 8.6127 8.6127 8.7716 8.7716 9.5873 9.5873 k = 0.0957 0.0957 0.3068 ( 14890 PWs) bands (ev): -46.4323 -46.4323 -46.4281 -46.4281 -18.4952 -18.4952 -18.4751 -18.4751 -18.3223 -18.3223 -18.3112 -18.3112 -18.3055 -18.3055 -18.2825 -18.2825 -15.4725 -15.4725 -15.3165 -15.3165 -5.8327 -5.8327 -5.5421 -5.5421 -4.3362 -4.3362 -3.8883 -3.8883 -3.0150 -3.0150 -2.8753 -2.8753 -2.4247 -2.4247 -2.4176 -2.4176 2.9714 2.9714 3.6513 3.6513 3.8958 3.8958 4.1576 4.1576 4.1890 4.1890 4.3532 4.3532 7.4762 7.4762 8.5204 8.5204 8.5785 8.5785 8.7110 8.7110 9.6065 9.6065 k = 0.0851 0.0851 0.3068 ( 14878 PWs) bands (ev): -46.4323 -46.4323 -46.4281 -46.4281 -18.4954 -18.4954 -18.4749 -18.4749 -18.3226 -18.3226 -18.3112 -18.3112 -18.3053 -18.3053 -18.2821 -18.2821 -15.4746 -15.4746 -15.3157 -15.3157 -5.8319 -5.8319 -5.5361 -5.5361 -4.3399 -4.3399 -3.8850 -3.8850 -3.0145 -3.0145 -2.8832 -2.8832 -2.4208 -2.4208 -2.4131 -2.4131 2.9607 2.9607 3.6803 3.6803 3.9103 3.9103 4.1471 4.1471 4.2209 4.2209 4.3636 4.3636 7.4280 7.4280 8.4828 8.4828 8.5482 8.5482 8.6561 8.6561 9.6271 9.6271 k = 0.0745 0.0745 0.3068 ( 14878 PWs) bands (ev): -46.4323 -46.4323 -46.4281 -46.4281 -18.4955 -18.4955 -18.4747 -18.4747 -18.3229 -18.3229 -18.3113 -18.3113 -18.3052 -18.3052 -18.2818 -18.2818 -15.4765 -15.4765 -15.3149 -15.3149 -5.8309 -5.8309 -5.5306 -5.5306 -4.3433 -4.3433 -3.8821 -3.8821 -3.0145 -3.0145 -2.8899 -2.8899 -2.4180 -2.4180 -2.4087 -2.4087 2.9509 2.9509 3.7111 3.7111 3.9233 3.9233 4.1336 4.1336 4.2496 4.2496 4.3742 4.3742 7.3846 7.3846 8.4487 8.4487 8.5218 8.5218 8.6070 8.6070 9.6486 9.6486 k = 0.0638 0.0638 0.3068 ( 14862 PWs) bands (ev): -46.4324 -46.4324 -46.4280 -46.4280 -18.4957 -18.4957 -18.4746 -18.4746 -18.3231 -18.3231 -18.3114 -18.3114 -18.3051 -18.3051 -18.2814 -18.2814 -15.4782 -15.4782 -15.3142 -15.3142 -5.8299 -5.8299 -5.5257 -5.5257 -4.3464 -4.3464 -3.8797 -3.8797 -3.0150 -3.0150 -2.8953 -2.8953 -2.4161 -2.4161 -2.4046 -2.4046 2.9420 2.9420 3.7434 3.7434 3.9348 3.9348 4.1172 4.1172 4.2744 4.2744 4.3849 4.3849 7.3465 7.3465 8.4184 8.4184 8.4993 8.4993 8.5639 8.5639 9.6703 9.6703 k = 0.0532 0.0532 0.3068 ( 14864 PWs) bands (ev): -46.4324 -46.4324 -46.4280 -46.4280 -18.4958 -18.4958 -18.4744 -18.4744 -18.3234 -18.3234 -18.3114 -18.3114 -18.3050 -18.3050 -18.2812 -18.2812 -15.4797 -15.4797 -15.3136 -15.3136 -5.8290 -5.8290 -5.5214 -5.5214 -4.3491 -4.3491 -3.8778 -3.8778 -3.0158 -3.0158 -2.8995 -2.8995 -2.4148 -2.4148 -2.4010 -2.4010 2.9342 2.9342 3.7766 3.7766 3.9446 3.9446 4.0981 4.0981 4.2949 4.2949 4.3956 4.3956 7.3138 7.3138 8.3922 8.3922 8.4805 8.4805 8.5271 8.5271 9.6911 9.6911 k = 0.0426 0.0426 0.3068 ( 14866 PWs) bands (ev): -46.4324 -46.4324 -46.4280 -46.4280 -18.4960 -18.4960 -18.4743 -18.4743 -18.3235 -18.3235 -18.3114 -18.3114 -18.3049 -18.3049 -18.2809 -18.2809 -15.4808 -15.4808 -15.3132 -15.3132 -5.8281 -5.8281 -5.5178 -5.5178 -4.3513 -4.3513 -3.8762 -3.8762 -3.0168 -3.0168 -2.9027 -2.9027 -2.4140 -2.4140 -2.3980 -2.3980 2.9277 2.9277 3.8104 3.8104 3.9522 3.9522 4.0769 4.0769 4.3109 4.3109 4.4058 4.4058 7.2868 7.2868 8.3704 8.3704 8.4654 8.4654 8.4968 8.4968 9.7100 9.7100 k = 0.0319 0.0319 0.3068 ( 14854 PWs) bands (ev): -46.4324 -46.4324 -46.4280 -46.4280 -18.4960 -18.4960 -18.4743 -18.4743 -18.3237 -18.3237 -18.3114 -18.3114 -18.3049 -18.3049 -18.2807 -18.2807 -15.4818 -15.4818 -15.3128 -15.3128 -5.8273 -5.8273 -5.5150 -5.5150 -4.3531 -4.3531 -3.8751 -3.8751 -3.0178 -3.0178 -2.9050 -2.9050 -2.4135 -2.4135 -2.3956 -2.3956 2.9225 2.9225 3.8440 3.8440 3.9571 3.9571 4.0543 4.0543 4.3226 4.3226 4.4150 4.4150 7.2655 7.2655 8.3533 8.3533 8.4537 8.4537 8.4730 8.4730 9.7259 9.7259 k = 0.0213 0.0213 0.3068 ( 14854 PWs) bands (ev): -46.4325 -46.4325 -46.4279 -46.4279 -18.4961 -18.4961 -18.4742 -18.4742 -18.3238 -18.3238 -18.3115 -18.3115 -18.3049 -18.3049 -18.2806 -18.2806 -15.4824 -15.4824 -15.3125 -15.3125 -5.8268 -5.8268 -5.5129 -5.5129 -4.3544 -4.3544 -3.8742 -3.8742 -3.0186 -3.0186 -2.9065 -2.9065 -2.4132 -2.4132 -2.3939 -2.3939 2.9187 2.9187 3.8768 3.8768 3.9580 3.9580 4.0323 4.0323 4.3306 4.3306 4.4222 4.4222 7.2503 7.2503 8.3409 8.3409 8.4455 8.4455 8.4560 8.4560 9.7378 9.7378 k = 0.0106 0.0106 0.3068 ( 14842 PWs) bands (ev): -46.4325 -46.4325 -46.4279 -46.4279 -18.4961 -18.4961 -18.4742 -18.4742 -18.3238 -18.3238 -18.3115 -18.3115 -18.3048 -18.3048 -18.2805 -18.2805 -15.4828 -15.4828 -15.3124 -15.3124 -5.8264 -5.8264 -5.5117 -5.5117 -4.3552 -4.3552 -3.8738 -3.8738 -3.0192 -3.0192 -2.9074 -2.9074 -2.4131 -2.4131 -2.3928 -2.3928 2.9164 2.9164 3.9075 3.9075 3.9514 3.9514 4.0152 4.0152 4.3352 4.3352 4.4268 4.4268 7.2411 7.2411 8.3334 8.3334 8.4407 8.4407 8.4457 8.4457 9.7452 9.7452 k = 0.0000 0.0000 0.3068 ( 14826 PWs) bands (ev): -46.4325 -46.4325 -46.4279 -46.4279 -18.4961 -18.4961 -18.4741 -18.4741 -18.3239 -18.3239 -18.3114 -18.3114 -18.3048 -18.3048 -18.2805 -18.2805 -15.4830 -15.4830 -15.3123 -15.3123 -5.8263 -5.8263 -5.5113 -5.5113 -4.3555 -4.3555 -3.8736 -3.8736 -3.0194 -3.0194 -2.9077 -2.9077 -2.4130 -2.4130 -2.3925 -2.3925 2.9157 2.9157 3.9329 3.9329 3.9347 3.9347 4.0089 4.0089 4.3366 4.3366 4.4284 4.4284 7.2380 7.2380 8.3310 8.3310 8.4391 8.4391 8.4422 8.4422 9.7477 9.7477 k = 0.0000 0.5000-0.0000 ( 14886 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4846 -18.4846 -18.4846 -18.4846 -18.3093 -18.3093 -18.3093 -18.3093 -18.3032 -18.3032 -18.3032 -18.3032 -15.3798 -15.3798 -15.3798 -15.3798 -5.7662 -5.7662 -5.7662 -5.7662 -4.1180 -4.1180 -4.1180 -4.1180 -2.8512 -2.8512 -2.8512 -2.8512 -2.5320 -2.5320 -2.5320 -2.5320 3.2882 3.2882 3.2882 3.2882 3.8911 3.8911 3.8911 3.8911 4.0322 4.0322 4.0322 4.0322 8.0675 8.0675 8.0675 8.0675 8.9675 8.9675 8.9675 8.9675 9.3368 9.3368 k = 0.0000 0.5000 0.0153 ( 14884 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4846 -18.4846 -18.4846 -18.4846 -18.3093 -18.3093 -18.3093 -18.3093 -18.3032 -18.3032 -18.3032 -18.3032 -15.3798 -15.3798 -15.3798 -15.3798 -5.7664 -5.7664 -5.7664 -5.7664 -4.1177 -4.1177 -4.1177 -4.1177 -2.8509 -2.8509 -2.8509 -2.8509 -2.5321 -2.5321 -2.5321 -2.5321 3.2868 3.2868 3.2868 3.2868 3.8909 3.8909 3.8909 3.8909 4.0316 4.0316 4.0316 4.0316 8.0700 8.0700 8.0700 8.0700 8.9714 8.9714 8.9714 8.9714 9.3390 9.3390 k = 0.0000 0.5000 0.0307 ( 14898 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4846 -18.4846 -18.4846 -18.4846 -18.3093 -18.3093 -18.3093 -18.3093 -18.3032 -18.3032 -18.3032 -18.3032 -15.3798 -15.3798 -15.3798 -15.3798 -5.7669 -5.7669 -5.7669 -5.7669 -4.1170 -4.1170 -4.1170 -4.1170 -2.8501 -2.8501 -2.8501 -2.8501 -2.5322 -2.5322 -2.5322 -2.5322 3.2828 3.2828 3.2828 3.2828 3.8906 3.8906 3.8906 3.8906 4.0296 4.0296 4.0296 4.0296 8.0773 8.0773 8.0773 8.0773 8.9832 8.9832 8.9832 8.9832 9.3454 9.3454 k = 0.0000 0.5000 0.0460 ( 14894 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4846 -18.4846 -18.4846 -18.4846 -18.3093 -18.3093 -18.3093 -18.3093 -18.3032 -18.3032 -18.3032 -18.3032 -15.3798 -15.3798 -15.3798 -15.3798 -5.7679 -5.7679 -5.7679 -5.7679 -4.1158 -4.1158 -4.1158 -4.1158 -2.8487 -2.8487 -2.8487 -2.8487 -2.5325 -2.5325 -2.5325 -2.5325 3.2762 3.2762 3.2762 3.2762 3.8900 3.8900 3.8900 3.8900 4.0264 4.0264 4.0264 4.0264 8.0894 8.0894 8.0894 8.0894 9.0023 9.0023 9.0023 9.0023 9.3561 9.3561 k = 0.0000 0.5000 0.0614 ( 14890 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4846 -18.4846 -18.4846 -18.4846 -18.3093 -18.3093 -18.3093 -18.3093 -18.3032 -18.3032 -18.3032 -18.3032 -15.3798 -15.3798 -15.3798 -15.3798 -5.7691 -5.7691 -5.7691 -5.7691 -4.1142 -4.1142 -4.1142 -4.1142 -2.8468 -2.8468 -2.8468 -2.8468 -2.5329 -2.5329 -2.5329 -2.5329 3.2671 3.2671 3.2671 3.2671 3.8892 3.8892 3.8892 3.8892 4.0221 4.0221 4.0221 4.0221 8.1061 8.1061 8.1061 8.1061 9.0278 9.0278 9.0278 9.0278 9.3708 9.3708 k = 0.0000 0.5000 0.0767 ( 14888 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4846 -18.4846 -18.4846 -18.4846 -18.3093 -18.3093 -18.3093 -18.3093 -18.3032 -18.3032 -18.3032 -18.3032 -15.3798 -15.3798 -15.3798 -15.3798 -5.7706 -5.7706 -5.7706 -5.7706 -4.1123 -4.1123 -4.1123 -4.1123 -2.8445 -2.8445 -2.8445 -2.8445 -2.5335 -2.5335 -2.5335 -2.5335 3.2559 3.2559 3.2559 3.2559 3.8883 3.8883 3.8883 3.8883 4.0169 4.0169 4.0169 4.0169 8.1269 8.1269 8.1269 8.1269 9.0586 9.0586 9.0586 9.0586 9.3896 9.3896 k = 0.0000 0.5000 0.0921 ( 14902 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4846 -18.4846 -18.4846 -18.4846 -18.3093 -18.3093 -18.3093 -18.3093 -18.3032 -18.3032 -18.3032 -18.3032 -15.3798 -15.3798 -15.3798 -15.3798 -5.7724 -5.7724 -5.7724 -5.7724 -4.1099 -4.1099 -4.1099 -4.1099 -2.8417 -2.8417 -2.8417 -2.8417 -2.5341 -2.5341 -2.5341 -2.5341 3.2428 3.2428 3.2428 3.2428 3.8871 3.8871 3.8871 3.8871 4.0109 4.0109 4.0109 4.0109 8.1516 8.1516 8.1516 8.1516 9.0929 9.0929 9.0929 9.0929 9.4121 9.4121 k = 0.0000 0.5000 0.1074 ( 14890 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4846 -18.4846 -18.4846 -18.4846 -18.3093 -18.3093 -18.3093 -18.3093 -18.3032 -18.3032 -18.3032 -18.3032 -15.3798 -15.3798 -15.3798 -15.3798 -5.7744 -5.7744 -5.7744 -5.7744 -4.1074 -4.1074 -4.1074 -4.1074 -2.8385 -2.8385 -2.8385 -2.8385 -2.5348 -2.5348 -2.5348 -2.5348 3.2280 3.2280 3.2280 3.2280 3.8858 3.8858 3.8858 3.8858 4.0045 4.0045 4.0045 4.0045 8.1798 8.1798 8.1798 8.1798 9.1286 9.1286 9.1286 9.1286 9.4383 9.4383 k = 0.0000 0.5000 0.1227 ( 14888 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4846 -18.4846 -18.4846 -18.4846 -18.3093 -18.3093 -18.3093 -18.3093 -18.3032 -18.3032 -18.3032 -18.3032 -15.3798 -15.3798 -15.3798 -15.3798 -5.7766 -5.7766 -5.7766 -5.7766 -4.1046 -4.1046 -4.1046 -4.1046 -2.8351 -2.8351 -2.8351 -2.8351 -2.5356 -2.5356 -2.5356 -2.5356 3.2121 3.2121 3.2121 3.2121 3.8845 3.8845 3.8845 3.8845 3.9977 3.9977 3.9977 3.9977 8.2110 8.2110 8.2110 8.2110 9.1629 9.1629 9.1629 9.1629 9.4677 9.4677 k = 0.0000 0.5000 0.1381 ( 14868 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4846 -18.4846 -18.4846 -18.4846 -18.3093 -18.3093 -18.3093 -18.3093 -18.3032 -18.3032 -18.3032 -18.3032 -15.3798 -15.3798 -15.3798 -15.3798 -5.7788 -5.7788 -5.7788 -5.7788 -4.1017 -4.1017 -4.1017 -4.1017 -2.8314 -2.8314 -2.8314 -2.8314 -2.5365 -2.5365 -2.5365 -2.5365 3.1953 3.1953 3.1953 3.1953 3.8830 3.8830 3.8830 3.8830 3.9908 3.9908 3.9908 3.9908 8.2447 8.2447 8.2447 8.2447 9.1933 9.1933 9.1933 9.1933 9.5000 9.5000 k = 0.0000 0.5000 0.1534 ( 14872 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4846 -18.4846 -18.4846 -18.4846 -18.3093 -18.3093 -18.3093 -18.3093 -18.3032 -18.3032 -18.3032 -18.3032 -15.3798 -15.3798 -15.3798 -15.3798 -5.7812 -5.7812 -5.7812 -5.7812 -4.0987 -4.0987 -4.0987 -4.0987 -2.8276 -2.8276 -2.8276 -2.8276 -2.5374 -2.5374 -2.5374 -2.5374 3.1780 3.1780 3.1780 3.1780 3.8815 3.8815 3.8815 3.8815 3.9839 3.9839 3.9839 3.9839 8.2804 8.2804 8.2804 8.2804 9.2173 9.2173 9.2173 9.2173 9.5348 9.5348 k = 0.0000 0.5000 0.1688 ( 14878 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4846 -18.4846 -18.4846 -18.4846 -18.3093 -18.3093 -18.3093 -18.3093 -18.3032 -18.3032 -18.3032 -18.3032 -15.3798 -15.3798 -15.3798 -15.3798 -5.7835 -5.7835 -5.7835 -5.7835 -4.0957 -4.0957 -4.0957 -4.0957 -2.8237 -2.8237 -2.8237 -2.8237 -2.5384 -2.5384 -2.5384 -2.5384 3.1608 3.1608 3.1608 3.1608 3.8800 3.8800 3.8800 3.8800 3.9773 3.9773 3.9773 3.9773 8.3175 8.3175 8.3175 8.3175 9.2334 9.2334 9.2334 9.2334 9.5715 9.5715 k = 0.0000 0.5000 0.1841 ( 14844 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4846 -18.4846 -18.4846 -18.4846 -18.3093 -18.3093 -18.3093 -18.3093 -18.3032 -18.3032 -18.3032 -18.3032 -15.3798 -15.3798 -15.3798 -15.3798 -5.7857 -5.7857 -5.7857 -5.7857 -4.0929 -4.0929 -4.0929 -4.0929 -2.8199 -2.8199 -2.8199 -2.8199 -2.5393 -2.5393 -2.5393 -2.5393 3.1441 3.1441 3.1441 3.1441 3.8785 3.8785 3.8785 3.8785 3.9711 3.9711 3.9711 3.9711 8.3553 8.3553 8.3553 8.3553 9.2414 9.2414 9.2414 9.2414 9.6095 9.6095 k = 0.0000 0.5000 0.1994 ( 14840 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4846 -18.4846 -18.4846 -18.4846 -18.3093 -18.3093 -18.3093 -18.3093 -18.3032 -18.3032 -18.3032 -18.3032 -15.3797 -15.3797 -15.3797 -15.3797 -5.7878 -5.7878 -5.7878 -5.7878 -4.0901 -4.0901 -4.0901 -4.0901 -2.8162 -2.8162 -2.8162 -2.8162 -2.5403 -2.5403 -2.5403 -2.5403 3.1282 3.1282 3.1282 3.1282 3.8771 3.8771 3.8771 3.8771 3.9653 3.9653 3.9653 3.9653 8.3930 8.3930 8.3930 8.3930 9.2420 9.2420 9.2420 9.2420 9.6479 9.6479 k = 0.0000 0.5000 0.2148 ( 14838 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4846 -18.4846 -18.4846 -18.4846 -18.3093 -18.3093 -18.3093 -18.3093 -18.3032 -18.3032 -18.3032 -18.3032 -15.3797 -15.3797 -15.3797 -15.3797 -5.7898 -5.7898 -5.7898 -5.7898 -4.0877 -4.0877 -4.0877 -4.0877 -2.8128 -2.8128 -2.8128 -2.8128 -2.5412 -2.5412 -2.5412 -2.5412 3.1136 3.1136 3.1136 3.1136 3.8757 3.8757 3.8757 3.8757 3.9602 3.9602 3.9602 3.9602 8.4298 8.4298 8.4298 8.4298 9.2367 9.2367 9.2367 9.2367 9.6858 9.6858 k = 0.0000 0.5000 0.2301 ( 14856 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4846 -18.4846 -18.4846 -18.4846 -18.3093 -18.3093 -18.3093 -18.3093 -18.3032 -18.3032 -18.3032 -18.3032 -15.3797 -15.3797 -15.3797 -15.3797 -5.7915 -5.7915 -5.7915 -5.7915 -4.0854 -4.0854 -4.0854 -4.0854 -2.8097 -2.8097 -2.8097 -2.8097 -2.5420 -2.5420 -2.5420 -2.5420 3.1005 3.1005 3.1005 3.1005 3.8746 3.8746 3.8746 3.8746 3.9557 3.9557 3.9557 3.9557 8.4646 8.4646 8.4646 8.4646 9.2272 9.2272 9.2272 9.2272 9.7218 9.7218 k = 0.0000 0.5000 0.2455 ( 14870 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4846 -18.4846 -18.4846 -18.4846 -18.3093 -18.3093 -18.3093 -18.3093 -18.3032 -18.3032 -18.3032 -18.3032 -15.3797 -15.3797 -15.3797 -15.3797 -5.7930 -5.7930 -5.7930 -5.7930 -4.0836 -4.0836 -4.0836 -4.0836 -2.8071 -2.8071 -2.8071 -2.8071 -2.5427 -2.5427 -2.5427 -2.5427 3.0894 3.0894 3.0894 3.0894 3.8736 3.8736 3.8736 3.8736 3.9520 3.9520 3.9520 3.9520 8.4961 8.4961 8.4961 8.4961 9.2154 9.2154 9.2154 9.2154 9.7545 9.7545 k = 0.0000 0.5000 0.2608 ( 14872 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4846 -18.4846 -18.4846 -18.4846 -18.3093 -18.3093 -18.3093 -18.3093 -18.3032 -18.3032 -18.3032 -18.3032 -15.3797 -15.3797 -15.3797 -15.3797 -5.7941 -5.7941 -5.7941 -5.7941 -4.0821 -4.0821 -4.0821 -4.0821 -2.8049 -2.8049 -2.8049 -2.8049 -2.5433 -2.5433 -2.5433 -2.5433 3.0805 3.0805 3.0805 3.0805 3.8727 3.8727 3.8727 3.8727 3.9490 3.9490 3.9490 3.9490 8.5230 8.5230 8.5230 8.5230 9.2034 9.2034 9.2034 9.2034 9.7825 9.7825 k = 0.0000 0.5000 0.2762 ( 14880 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4846 -18.4846 -18.4846 -18.4846 -18.3093 -18.3093 -18.3093 -18.3093 -18.3032 -18.3032 -18.3032 -18.3032 -15.3797 -15.3797 -15.3797 -15.3797 -5.7950 -5.7950 -5.7950 -5.7950 -4.0810 -4.0810 -4.0810 -4.0810 -2.8033 -2.8033 -2.8033 -2.8033 -2.5438 -2.5438 -2.5438 -2.5438 3.0740 3.0740 3.0740 3.0740 3.8721 3.8721 3.8721 3.8721 3.9469 3.9469 3.9469 3.9469 8.5438 8.5438 8.5438 8.5438 9.1930 9.1930 9.1930 9.1930 9.8039 9.8039 k = 0.0000 0.5000 0.2915 ( 14872 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4846 -18.4846 -18.4846 -18.4846 -18.3093 -18.3093 -18.3093 -18.3093 -18.3032 -18.3032 -18.3032 -18.3032 -15.3797 -15.3797 -15.3797 -15.3797 -5.7955 -5.7955 -5.7955 -5.7955 -4.0803 -4.0803 -4.0803 -4.0803 -2.8023 -2.8023 -2.8023 -2.8023 -2.5440 -2.5440 -2.5440 -2.5440 3.0700 3.0700 3.0700 3.0700 3.8718 3.8718 3.8718 3.8718 3.9456 3.9456 3.9456 3.9456 8.5569 8.5569 8.5569 8.5569 9.1860 9.1860 9.1860 9.1860 9.8175 9.8175 k = 0.0000 0.5000 0.3068 ( 14868 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4846 -18.4846 -18.4846 -18.4846 -18.3093 -18.3093 -18.3093 -18.3093 -18.3032 -18.3032 -18.3032 -18.3032 -15.3797 -15.3797 -15.3797 -15.3797 -5.7957 -5.7957 -5.7957 -5.7957 -4.0801 -4.0801 -4.0801 -4.0801 -2.8020 -2.8020 -2.8020 -2.8020 -2.5441 -2.5441 -2.5441 -2.5441 3.0686 3.0686 3.0686 3.0686 3.8716 3.8716 3.8716 3.8716 3.9451 3.9451 3.9451 3.9451 8.5614 8.5614 8.5614 8.5614 9.1835 9.1835 9.1835 9.1835 9.8222 9.8222 k = 0.5000 0.5000-0.0000 ( 14876 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4878 -18.4878 -18.4878 -18.4878 -18.3225 -18.3225 -18.3225 -18.3225 -18.2882 -18.2882 -18.2882 -18.2882 -15.3628 -15.3628 -15.3628 -15.3628 -5.5573 -5.5573 -5.5573 -5.5573 -4.3418 -4.3418 -4.3418 -4.3418 -3.0837 -3.0837 -3.0837 -3.0837 -2.6849 -2.6849 -2.6849 -2.6849 3.5124 3.5124 3.5124 3.5124 3.9114 3.9114 3.9114 3.9114 4.0148 4.0148 4.0148 4.0148 8.3502 8.3502 8.3502 8.3502 8.5864 8.5864 8.5864 8.5864 10.9431 10.9431 k = 0.5000 0.5000 0.0153 ( 14884 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4878 -18.4878 -18.4878 -18.4878 -18.3225 -18.3225 -18.3225 -18.3225 -18.2882 -18.2882 -18.2882 -18.2882 -15.3628 -15.3628 -15.3628 -15.3628 -5.5575 -5.5575 -5.5575 -5.5575 -4.3417 -4.3417 -4.3417 -4.3417 -3.0835 -3.0835 -3.0835 -3.0835 -2.6849 -2.6849 -2.6849 -2.6849 3.5115 3.5115 3.5115 3.5115 3.9109 3.9109 3.9109 3.9109 4.0143 4.0143 4.0143 4.0143 8.3515 8.3515 8.3515 8.3515 8.5924 8.5924 8.5924 8.5924 10.9423 10.9423 k = 0.5000 0.5000 0.0307 ( 14884 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4878 -18.4878 -18.4878 -18.4878 -18.3225 -18.3225 -18.3225 -18.3225 -18.2882 -18.2882 -18.2882 -18.2882 -15.3628 -15.3628 -15.3628 -15.3628 -5.5579 -5.5579 -5.5579 -5.5579 -4.3413 -4.3413 -4.3413 -4.3413 -3.0829 -3.0829 -3.0829 -3.0829 -2.6847 -2.6847 -2.6847 -2.6847 3.5088 3.5088 3.5088 3.5088 3.9092 3.9092 3.9092 3.9092 4.0132 4.0132 4.0132 4.0132 8.3555 8.3555 8.3555 8.3555 8.6103 8.6103 8.6103 8.6103 10.9399 10.9399 k = 0.5000 0.5000 0.0460 ( 14912 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4878 -18.4878 -18.4878 -18.4878 -18.3225 -18.3225 -18.3225 -18.3225 -18.2882 -18.2882 -18.2882 -18.2882 -15.3628 -15.3628 -15.3628 -15.3628 -5.5588 -5.5588 -5.5588 -5.5588 -4.3406 -4.3406 -4.3406 -4.3406 -3.0819 -3.0819 -3.0819 -3.0819 -2.6844 -2.6844 -2.6844 -2.6844 3.5046 3.5046 3.5046 3.5046 3.9053 3.9053 3.9053 3.9053 4.0122 4.0122 4.0122 4.0122 8.3621 8.3621 8.3621 8.3621 8.6398 8.6398 8.6398 8.6398 10.9357 10.9357 k = 0.5000 0.5000 0.0614 ( 14928 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4878 -18.4878 -18.4878 -18.4878 -18.3225 -18.3225 -18.3225 -18.3225 -18.2882 -18.2882 -18.2882 -18.2882 -15.3628 -15.3628 -15.3628 -15.3628 -5.5599 -5.5599 -5.5599 -5.5599 -4.3397 -4.3397 -4.3397 -4.3397 -3.0806 -3.0806 -3.0806 -3.0806 -2.6840 -2.6840 -2.6840 -2.6840 3.4989 3.4989 3.4989 3.4989 3.8983 3.8983 3.8983 3.8983 4.0127 4.0127 4.0127 4.0127 8.3713 8.3713 8.3713 8.3713 8.6805 8.6805 8.6805 8.6805 10.9296 10.9296 k = 0.5000 0.5000 0.0767 ( 14932 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4878 -18.4878 -18.4878 -18.4878 -18.3225 -18.3225 -18.3225 -18.3225 -18.2882 -18.2882 -18.2882 -18.2882 -15.3628 -15.3628 -15.3628 -15.3628 -5.5612 -5.5612 -5.5612 -5.5612 -4.3386 -4.3386 -4.3386 -4.3386 -3.0789 -3.0789 -3.0789 -3.0789 -2.6834 -2.6834 -2.6834 -2.6834 3.4921 3.4921 3.4921 3.4921 3.8873 3.8873 3.8873 3.8873 4.0153 4.0153 4.0153 4.0153 8.3831 8.3831 8.3831 8.3831 8.7318 8.7318 8.7318 8.7318 10.9212 10.9212 k = 0.5000 0.5000 0.0921 ( 14932 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4878 -18.4878 -18.4878 -18.4878 -18.3225 -18.3225 -18.3225 -18.3225 -18.2882 -18.2882 -18.2882 -18.2882 -15.3628 -15.3628 -15.3628 -15.3628 -5.5628 -5.5628 -5.5628 -5.5628 -4.3373 -4.3373 -4.3373 -4.3373 -3.0770 -3.0770 -3.0770 -3.0770 -2.6828 -2.6828 -2.6828 -2.6828 3.4844 3.4844 3.4844 3.4844 3.8725 3.8725 3.8725 3.8725 4.0205 4.0205 4.0205 4.0205 8.3973 8.3973 8.3973 8.3973 8.7930 8.7930 8.7930 8.7930 10.9103 10.9103 k = 0.5000 0.5000 0.1074 ( 14932 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4878 -18.4878 -18.4878 -18.4878 -18.3225 -18.3225 -18.3225 -18.3225 -18.2882 -18.2882 -18.2882 -18.2882 -15.3628 -15.3628 -15.3628 -15.3628 -5.5646 -5.5646 -5.5646 -5.5646 -4.3359 -4.3359 -4.3359 -4.3359 -3.0749 -3.0749 -3.0749 -3.0749 -2.6820 -2.6820 -2.6820 -2.6820 3.4762 3.4762 3.4762 3.4762 3.8542 3.8542 3.8542 3.8542 4.0278 4.0278 4.0278 4.0278 8.4139 8.4139 8.4139 8.4139 8.8632 8.8632 8.8632 8.8632 10.8963 10.8963 k = 0.5000 0.5000 0.1227 ( 14924 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4878 -18.4878 -18.4878 -18.4878 -18.3225 -18.3225 -18.3225 -18.3225 -18.2882 -18.2882 -18.2882 -18.2882 -15.3628 -15.3628 -15.3628 -15.3628 -5.5665 -5.5665 -5.5665 -5.5665 -4.3343 -4.3343 -4.3343 -4.3343 -3.0727 -3.0727 -3.0727 -3.0727 -2.6812 -2.6812 -2.6812 -2.6812 3.4676 3.4676 3.4676 3.4676 3.8333 3.8333 3.8333 3.8333 4.0367 4.0367 4.0367 4.0367 8.4327 8.4327 8.4327 8.4327 8.9416 8.9416 8.9416 8.9416 10.8788 10.8788 k = 0.5000 0.5000 0.1381 ( 14900 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4878 -18.4878 -18.4878 -18.4878 -18.3225 -18.3225 -18.3225 -18.3225 -18.2882 -18.2882 -18.2882 -18.2882 -15.3628 -15.3628 -15.3628 -15.3628 -5.5686 -5.5686 -5.5686 -5.5686 -4.3326 -4.3326 -4.3326 -4.3326 -3.0703 -3.0703 -3.0703 -3.0703 -2.6802 -2.6802 -2.6802 -2.6802 3.4590 3.4590 3.4590 3.4590 3.8109 3.8109 3.8109 3.8109 4.0467 4.0467 4.0467 4.0467 8.4535 8.4535 8.4535 8.4535 9.0273 9.0273 9.0273 9.0273 10.8410 10.8410 k = 0.5000 0.5000 0.1534 ( 14924 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4878 -18.4878 -18.4878 -18.4878 -18.3225 -18.3225 -18.3225 -18.3225 -18.2882 -18.2882 -18.2882 -18.2882 -15.3628 -15.3628 -15.3628 -15.3628 -5.5706 -5.5706 -5.5706 -5.5706 -4.3310 -4.3310 -4.3310 -4.3310 -3.0679 -3.0679 -3.0679 -3.0679 -2.6793 -2.6793 -2.6793 -2.6793 3.4505 3.4505 3.4505 3.4505 3.7876 3.7876 3.7876 3.7876 4.0571 4.0571 4.0571 4.0571 8.4759 8.4759 8.4759 8.4759 9.1191 9.1191 9.1191 9.1191 10.7447 10.7447 k = 0.5000 0.5000 0.1688 ( 14908 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4878 -18.4878 -18.4878 -18.4878 -18.3225 -18.3225 -18.3225 -18.3225 -18.2882 -18.2882 -18.2882 -18.2882 -15.3628 -15.3628 -15.3628 -15.3628 -5.5727 -5.5727 -5.5727 -5.5727 -4.3293 -4.3293 -4.3293 -4.3293 -3.0655 -3.0655 -3.0655 -3.0655 -2.6782 -2.6782 -2.6782 -2.6782 3.4423 3.4423 3.4423 3.4423 3.7643 3.7643 3.7643 3.7643 4.0676 4.0676 4.0676 4.0676 8.4997 8.4997 8.4997 8.4997 9.2159 9.2159 9.2159 9.2159 10.6517 10.6517 k = 0.5000 0.5000 0.1841 ( 14932 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4878 -18.4878 -18.4878 -18.4878 -18.3225 -18.3225 -18.3225 -18.3225 -18.2882 -18.2882 -18.2882 -18.2882 -15.3628 -15.3628 -15.3628 -15.3628 -5.5747 -5.5747 -5.5747 -5.5747 -4.3277 -4.3277 -4.3277 -4.3277 -3.0632 -3.0632 -3.0632 -3.0632 -2.6772 -2.6772 -2.6772 -2.6772 3.4346 3.4346 3.4346 3.4346 3.7416 3.7416 3.7416 3.7416 4.0778 4.0778 4.0778 4.0778 8.5242 8.5242 8.5242 8.5242 9.3167 9.3167 9.3167 9.3167 10.5633 10.5633 k = 0.5000 0.5000 0.1994 ( 14940 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4878 -18.4878 -18.4878 -18.4878 -18.3225 -18.3225 -18.3225 -18.3225 -18.2882 -18.2882 -18.2882 -18.2882 -15.3628 -15.3628 -15.3628 -15.3628 -5.5766 -5.5766 -5.5766 -5.5766 -4.3261 -4.3261 -4.3261 -4.3261 -3.0610 -3.0610 -3.0610 -3.0610 -2.6762 -2.6762 -2.6762 -2.6762 3.4275 3.4275 3.4275 3.4275 3.7203 3.7203 3.7203 3.7203 4.0875 4.0875 4.0875 4.0875 8.5490 8.5490 8.5490 8.5490 9.4201 9.4201 9.4201 9.4201 10.4809 10.4809 k = 0.5000 0.5000 0.2148 ( 14936 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4878 -18.4878 -18.4878 -18.4878 -18.3225 -18.3225 -18.3225 -18.3225 -18.2882 -18.2882 -18.2882 -18.2882 -15.3628 -15.3628 -15.3628 -15.3628 -5.5783 -5.5783 -5.5783 -5.5783 -4.3247 -4.3247 -4.3247 -4.3247 -3.0591 -3.0591 -3.0591 -3.0591 -2.6753 -2.6753 -2.6753 -2.6753 3.4212 3.4212 3.4212 3.4212 3.7006 3.7006 3.7006 3.7006 4.0963 4.0963 4.0963 4.0963 8.5734 8.5734 8.5734 8.5734 9.5248 9.5248 9.5248 9.5248 10.4056 10.4056 k = 0.5000 0.5000 0.2301 ( 14928 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4878 -18.4878 -18.4878 -18.4878 -18.3225 -18.3225 -18.3225 -18.3225 -18.2882 -18.2882 -18.2882 -18.2882 -15.3628 -15.3628 -15.3628 -15.3628 -5.5799 -5.5799 -5.5799 -5.5799 -4.3235 -4.3235 -4.3235 -4.3235 -3.0573 -3.0573 -3.0573 -3.0573 -2.6744 -2.6744 -2.6744 -2.6744 3.4156 3.4156 3.4156 3.4156 3.6833 3.6833 3.6833 3.6833 4.1041 4.1041 4.1041 4.1041 8.5964 8.5964 8.5964 8.5964 9.6290 9.6290 9.6290 9.6290 10.3388 10.3388 k = 0.5000 0.5000 0.2455 ( 14912 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4878 -18.4878 -18.4878 -18.4878 -18.3225 -18.3225 -18.3225 -18.3225 -18.2882 -18.2882 -18.2882 -18.2882 -15.3628 -15.3628 -15.3628 -15.3628 -5.5812 -5.5812 -5.5812 -5.5812 -4.3224 -4.3224 -4.3224 -4.3224 -3.0559 -3.0559 -3.0559 -3.0559 -2.6736 -2.6736 -2.6736 -2.6736 3.4110 3.4110 3.4110 3.4110 3.6686 3.6686 3.6686 3.6686 4.1107 4.1107 4.1107 4.1107 8.6173 8.6173 8.6173 8.6173 9.7310 9.7310 9.7310 9.7310 10.2818 10.2818 k = 0.5000 0.5000 0.2608 ( 14924 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4878 -18.4878 -18.4878 -18.4878 -18.3225 -18.3225 -18.3225 -18.3225 -18.2882 -18.2882 -18.2882 -18.2882 -15.3628 -15.3628 -15.3628 -15.3628 -5.5822 -5.5822 -5.5822 -5.5822 -4.3216 -4.3216 -4.3216 -4.3216 -3.0547 -3.0547 -3.0547 -3.0547 -2.6730 -2.6730 -2.6730 -2.6730 3.4073 3.4073 3.4073 3.4073 3.6568 3.6568 3.6568 3.6568 4.1160 4.1160 4.1160 4.1160 8.6349 8.6349 8.6349 8.6349 9.8277 9.8277 9.8277 9.8277 10.2357 10.2357 k = 0.5000 0.5000 0.2762 ( 14932 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4878 -18.4878 -18.4878 -18.4878 -18.3225 -18.3225 -18.3225 -18.3225 -18.2882 -18.2882 -18.2882 -18.2882 -15.3628 -15.3628 -15.3628 -15.3628 -5.5830 -5.5830 -5.5830 -5.5830 -4.3209 -4.3209 -4.3209 -4.3209 -3.0538 -3.0538 -3.0538 -3.0538 -2.6725 -2.6725 -2.6725 -2.6725 3.4047 3.4047 3.4047 3.4047 3.6482 3.6482 3.6482 3.6482 4.1198 4.1198 4.1198 4.1198 8.6483 8.6483 8.6483 8.6483 9.9141 9.9141 9.9141 9.9141 10.2018 10.2018 k = 0.5000 0.5000 0.2915 ( 14912 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4878 -18.4878 -18.4878 -18.4878 -18.3225 -18.3225 -18.3225 -18.3225 -18.2882 -18.2882 -18.2882 -18.2882 -15.3628 -15.3628 -15.3628 -15.3628 -5.5835 -5.5835 -5.5835 -5.5835 -4.3206 -4.3206 -4.3206 -4.3206 -3.0533 -3.0533 -3.0533 -3.0533 -2.6723 -2.6723 -2.6723 -2.6723 3.4031 3.4031 3.4031 3.4031 3.6430 3.6430 3.6430 3.6430 4.1221 4.1221 4.1221 4.1221 8.6568 8.6568 8.6568 8.6568 9.9800 9.9800 9.9800 9.9800 10.1812 10.1812 k = 0.5000 0.5000 0.3068 ( 14912 PWs) bands (ev): -46.4302 -46.4302 -46.4302 -46.4302 -18.4878 -18.4878 -18.4878 -18.4878 -18.3225 -18.3225 -18.3225 -18.3225 -18.2882 -18.2882 -18.2882 -18.2882 -15.3628 -15.3628 -15.3628 -15.3628 -5.5836 -5.5836 -5.5836 -5.5836 -4.3204 -4.3204 -4.3204 -4.3204 -3.0531 -3.0531 -3.0531 -3.0531 -2.6722 -2.6722 -2.6722 -2.6722 3.4025 3.4025 3.4025 3.4025 3.6413 3.6413 3.6413 3.6413 4.1229 4.1229 4.1229 4.1229 8.6596 8.6596 8.6596 8.6596 10.0064 10.0064 10.0064 10.0064 10.1743 10.1743 Writing output data file CsNaS.save init_run : 0.54s CPU 0.82s WALL ( 1 calls) electrons : 433.82s CPU 438.74s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.03s WALL ( 1 calls) potinit : 0.03s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 433.82s CPU 438.73s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.22s CPU 0.26s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.11s CPU 0.32s WALL ( 295 calls) cegterg : 401.07s CPU 403.97s WALL ( 678 calls) Called by sum_band: Called by *egterg: h_psi : 252.88s CPU 254.90s WALL ( 10767 calls) s_psi : 14.47s CPU 14.22s WALL ( 10767 calls) g_psi : 0.92s CPU 0.90s WALL ( 9794 calls) cdiaghg : 87.66s CPU 88.58s WALL ( 10089 calls) cegterg:over : 21.74s CPU 22.05s WALL ( 9794 calls) cegterg:upda : 25.32s CPU 25.34s WALL ( 9794 calls) cegterg:last : 9.61s CPU 9.67s WALL ( 1331 calls) cdiaghg:chol : 5.28s CPU 5.13s WALL ( 10089 calls) cdiaghg:inve : 3.40s CPU 3.53s WALL ( 10089 calls) cdiaghg:para : 5.59s CPU 5.64s WALL ( 20178 calls) Called by h_psi: h_psi:vloc : 209.25s CPU 211.27s WALL ( 10767 calls) h_psi:vnl : 42.58s CPU 42.59s WALL ( 10767 calls) add_vuspsi : 24.16s CPU 24.13s WALL ( 10767 calls) General routines calbec : 18.38s CPU 18.43s WALL ( 10767 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 198.48s CPU 200.43s WALL ( 905632 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.34s CPU 0.69s WALL ( 590 calls) Parallel routines fft_scatter : 60.38s CPU 61.07s WALL ( 905655 calls) PWSCF : 7m52.08s CPU 8m20.56s WALL This run was terminated on: 17:37:13 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=