Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 15:46:46 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: ./CsBr2F.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 44 44 12 2410 2410 362 Max 49 49 13 2416 2416 371 Sum 1597 1597 437 86855 86855 13111 bravais-lattice index = 14 lattice parameter (alat) = 7.8934 a.u. unit-cell volume = 898.8301 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 30.00 number of Kohn-Sham states= 38 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.893385 celldm(2)= 1.000000 celldm(3)= 1.827627 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 1.827627 ) 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 0.547157 ) PseudoPot. # 1 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Br read from file: /users/gautes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1213 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 F 7.00 18.99840 F( 1.00) Br 7.00 79.90400 Br( 1.00) Cs 9.00 132.90550 Cs( 1.00) 16 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 332 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 2) = ( 0.0000000 0.0131579 -0.0000000), wk = 0.0030120 k( 3) = ( 0.0000000 0.0263158 -0.0000000), wk = 0.0030120 k( 4) = ( 0.0000000 0.0394737 -0.0000000), wk = 0.0030120 k( 5) = ( 0.0000000 0.0526316 -0.0000000), wk = 0.0030120 k( 6) = ( 0.0000000 0.0657895 -0.0000000), wk = 0.0030120 k( 7) = ( 0.0000000 0.0789474 -0.0000000), wk = 0.0030120 k( 8) = ( 0.0000000 0.0921053 -0.0000000), wk = 0.0030120 k( 9) = ( 0.0000000 0.1052632 -0.0000000), wk = 0.0030120 k( 10) = ( 0.0000000 0.1184210 -0.0000000), wk = 0.0030120 k( 11) = ( 0.0000000 0.1315790 -0.0000000), wk = 0.0030120 k( 12) = ( 0.0000000 0.1447368 -0.0000000), wk = 0.0030120 k( 13) = ( 0.0000000 0.1578947 -0.0000000), wk = 0.0030120 k( 14) = ( 0.0000000 0.1710526 -0.0000000), wk = 0.0030120 k( 15) = ( 0.0000000 0.1842105 -0.0000000), wk = 0.0030120 k( 16) = ( 0.0000000 0.1973684 -0.0000000), wk = 0.0030120 k( 17) = ( 0.0000000 0.2105263 -0.0000000), wk = 0.0030120 k( 18) = ( 0.0000000 0.2236842 -0.0000000), wk = 0.0030120 k( 19) = ( 0.0000000 0.2368421 -0.0000000), wk = 0.0030120 k( 20) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0030120 k( 21) = ( 0.0000000 0.2631579 -0.0000000), wk = 0.0030120 k( 22) = ( 0.0000000 0.2763158 -0.0000000), wk = 0.0030120 k( 23) = ( 0.0000000 0.2894737 -0.0000000), wk = 0.0030120 k( 24) = ( 0.0000000 0.3026316 -0.0000000), wk = 0.0030120 k( 25) = ( 0.0000000 0.3157895 -0.0000000), wk = 0.0030120 k( 26) = ( 0.0000000 0.3289474 -0.0000000), wk = 0.0030120 k( 27) = ( 0.0000000 0.3421053 -0.0000000), wk = 0.0030120 k( 28) = ( 0.0000000 0.3552632 -0.0000000), wk = 0.0030120 k( 29) = ( 0.0000000 0.3684211 -0.0000000), wk = 0.0030120 k( 30) = ( 0.0000000 0.3815789 -0.0000000), wk = 0.0030120 k( 31) = ( 0.0000000 0.3947368 -0.0000000), wk = 0.0030120 k( 32) = ( 0.0000000 0.4078947 -0.0000000), wk = 0.0030120 k( 33) = ( 0.0000000 0.4210526 -0.0000000), wk = 0.0030120 k( 34) = ( 0.0000000 0.4342105 -0.0000000), wk = 0.0030120 k( 35) = ( 0.0000000 0.4473684 -0.0000000), wk = 0.0030120 k( 36) = ( 0.0000000 0.4605263 -0.0000000), wk = 0.0030120 k( 37) = ( 0.0000000 0.4736842 -0.0000000), wk = 0.0030120 k( 38) = ( 0.0000000 0.4868421 -0.0000000), wk = 0.0030120 k( 39) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030120 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030120 k( 41) = ( 0.0131579 0.5000000 -0.0000000), wk = 0.0030120 k( 42) = ( 0.0263158 0.5000000 -0.0000000), wk = 0.0030120 k( 43) = ( 0.0394737 0.5000000 -0.0000000), wk = 0.0030120 k( 44) = ( 0.0526316 0.5000000 -0.0000000), wk = 0.0030120 k( 45) = ( 0.0657895 0.5000000 -0.0000000), wk = 0.0030120 k( 46) = ( 0.0789474 0.5000000 -0.0000000), wk = 0.0030120 k( 47) = ( 0.0921053 0.5000000 -0.0000000), wk = 0.0030120 k( 48) = ( 0.1052632 0.5000000 -0.0000000), wk = 0.0030120 k( 49) = ( 0.1184210 0.5000000 -0.0000000), wk = 0.0030120 k( 50) = ( 0.1315790 0.5000000 -0.0000000), wk = 0.0030120 k( 51) = ( 0.1447368 0.5000000 -0.0000000), wk = 0.0030120 k( 52) = ( 0.1578947 0.5000000 -0.0000000), wk = 0.0030120 k( 53) = ( 0.1710526 0.5000000 -0.0000000), wk = 0.0030120 k( 54) = ( 0.1842105 0.5000000 -0.0000000), wk = 0.0030120 k( 55) = ( 0.1973684 0.5000000 -0.0000000), wk = 0.0030120 k( 56) = ( 0.2105263 0.5000000 -0.0000000), wk = 0.0030120 k( 57) = ( 0.2236842 0.5000000 -0.0000000), wk = 0.0030120 k( 58) = ( 0.2368421 0.5000000 -0.0000000), wk = 0.0030120 k( 59) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0030120 k( 60) = ( 0.2631579 0.5000000 -0.0000000), wk = 0.0030120 k( 61) = ( 0.2763158 0.5000000 -0.0000000), wk = 0.0030120 k( 62) = ( 0.2894737 0.5000000 -0.0000000), wk = 0.0030120 k( 63) = ( 0.3026316 0.5000000 -0.0000000), wk = 0.0030120 k( 64) = ( 0.3157895 0.5000000 -0.0000000), wk = 0.0030120 k( 65) = ( 0.3289474 0.5000000 -0.0000000), wk = 0.0030120 k( 66) = ( 0.3421053 0.5000000 -0.0000000), wk = 0.0030120 k( 67) = ( 0.3552632 0.5000000 -0.0000000), wk = 0.0030120 k( 68) = ( 0.3684211 0.5000000 -0.0000000), wk = 0.0030120 k( 69) = ( 0.3815789 0.5000000 -0.0000000), wk = 0.0030120 k( 70) = ( 0.3947368 0.5000000 -0.0000000), wk = 0.0030120 k( 71) = ( 0.4078947 0.5000000 -0.0000000), wk = 0.0030120 k( 72) = ( 0.4210526 0.5000000 -0.0000000), wk = 0.0030120 k( 73) = ( 0.4342105 0.5000000 -0.0000000), wk = 0.0030120 k( 74) = ( 0.4473684 0.5000000 -0.0000000), wk = 0.0030120 k( 75) = ( 0.4605263 0.5000000 -0.0000000), wk = 0.0030120 k( 76) = ( 0.4736842 0.5000000 -0.0000000), wk = 0.0030120 k( 77) = ( 0.4868421 0.5000000 -0.0000000), wk = 0.0030120 k( 78) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030120 k( 79) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030120 k( 80) = ( 0.4907407 0.4907407 -0.0000000), wk = 0.0030120 k( 81) = ( 0.4814815 0.4814815 -0.0000000), wk = 0.0030120 k( 82) = ( 0.4722222 0.4722222 -0.0000000), wk = 0.0030120 k( 83) = ( 0.4629630 0.4629630 -0.0000000), wk = 0.0030120 k( 84) = ( 0.4537037 0.4537037 -0.0000000), wk = 0.0030120 k( 85) = ( 0.4444444 0.4444444 -0.0000000), wk = 0.0030120 k( 86) = ( 0.4351852 0.4351852 -0.0000000), wk = 0.0030120 k( 87) = ( 0.4259259 0.4259259 -0.0000000), wk = 0.0030120 k( 88) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0030120 k( 89) = ( 0.4074074 0.4074074 -0.0000000), wk = 0.0030120 k( 90) = ( 0.3981481 0.3981481 -0.0000000), wk = 0.0030120 k( 91) = ( 0.3888889 0.3888889 -0.0000000), wk = 0.0030120 k( 92) = ( 0.3796296 0.3796296 -0.0000000), wk = 0.0030120 k( 93) = ( 0.3703704 0.3703704 -0.0000000), wk = 0.0030120 k( 94) = ( 0.3611111 0.3611111 -0.0000000), wk = 0.0030120 k( 95) = ( 0.3518519 0.3518518 -0.0000000), wk = 0.0030120 k( 96) = ( 0.3425926 0.3425926 -0.0000000), wk = 0.0030120 k( 97) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0030120 k( 98) = ( 0.3240741 0.3240741 -0.0000000), wk = 0.0030120 k( 99) = ( 0.3148148 0.3148148 -0.0000000), wk = 0.0030120 k( 100) = ( 0.3055556 0.3055556 -0.0000000), wk = 0.0030120 k( 101) = ( 0.2962963 0.2962963 -0.0000000), wk = 0.0030120 k( 102) = ( 0.2870370 0.2870370 -0.0000000), wk = 0.0030120 k( 103) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0030120 k( 104) = ( 0.2685185 0.2685185 -0.0000000), wk = 0.0030120 k( 105) = ( 0.2592593 0.2592593 -0.0000000), wk = 0.0030120 k( 106) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0030120 k( 107) = ( 0.2407407 0.2407407 -0.0000000), wk = 0.0030120 k( 108) = ( 0.2314815 0.2314815 -0.0000000), wk = 0.0030120 k( 109) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0030120 k( 110) = ( 0.2129630 0.2129630 -0.0000000), wk = 0.0030120 k( 111) = ( 0.2037037 0.2037037 -0.0000000), wk = 0.0030120 k( 112) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0030120 k( 113) = ( 0.1851852 0.1851852 -0.0000000), wk = 0.0030120 k( 114) = ( 0.1759259 0.1759259 -0.0000000), wk = 0.0030120 k( 115) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0030120 k( 116) = ( 0.1574074 0.1574074 -0.0000000), wk = 0.0030120 k( 117) = ( 0.1481482 0.1481481 -0.0000000), wk = 0.0030120 k( 118) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0030120 k( 119) = ( 0.1296296 0.1296296 -0.0000000), wk = 0.0030120 k( 120) = ( 0.1203704 0.1203704 -0.0000000), wk = 0.0030120 k( 121) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0030120 k( 122) = ( 0.1018518 0.1018518 -0.0000000), wk = 0.0030120 k( 123) = ( 0.0925926 0.0925926 -0.0000000), wk = 0.0030120 k( 124) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0030120 k( 125) = ( 0.0740741 0.0740741 -0.0000000), wk = 0.0030120 k( 126) = ( 0.0648148 0.0648148 -0.0000000), wk = 0.0030120 k( 127) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0030120 k( 128) = ( 0.0462963 0.0462963 -0.0000000), wk = 0.0030120 k( 129) = ( 0.0370370 0.0370370 -0.0000000), wk = 0.0030120 k( 130) = ( 0.0277778 0.0277778 -0.0000000), wk = 0.0030120 k( 131) = ( 0.0185185 0.0185185 -0.0000000), wk = 0.0030120 k( 132) = ( 0.0092593 0.0092593 -0.0000000), wk = 0.0030120 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 135) = ( 0.0000000 0.0000000 0.0130276), wk = 0.0030120 k( 136) = ( 0.0000000 0.0000000 0.0260551), wk = 0.0030120 k( 137) = ( 0.0000000 0.0000000 0.0390827), wk = 0.0030120 k( 138) = ( 0.0000000 0.0000000 0.0521102), wk = 0.0030120 k( 139) = ( 0.0000000 0.0000000 0.0651378), wk = 0.0030120 k( 140) = ( 0.0000000 0.0000000 0.0781653), wk = 0.0030120 k( 141) = ( 0.0000000 0.0000000 0.0911929), wk = 0.0030120 k( 142) = ( 0.0000000 0.0000000 0.1042205), wk = 0.0030120 k( 143) = ( 0.0000000 0.0000000 0.1172480), wk = 0.0030120 k( 144) = ( 0.0000000 0.0000000 0.1302756), wk = 0.0030120 k( 145) = ( 0.0000000 0.0000000 0.1433031), wk = 0.0030120 k( 146) = ( 0.0000000 0.0000000 0.1563307), wk = 0.0030120 k( 147) = ( 0.0000000 0.0000000 0.1693583), wk = 0.0030120 k( 148) = ( 0.0000000 0.0000000 0.1823858), wk = 0.0030120 k( 149) = ( 0.0000000 0.0000000 0.1954134), wk = 0.0030120 k( 150) = ( 0.0000000 0.0000000 0.2084409), wk = 0.0030120 k( 151) = ( 0.0000000 0.0000000 0.2214685), wk = 0.0030120 k( 152) = ( 0.0000000 0.0000000 0.2344961), wk = 0.0030120 k( 153) = ( 0.0000000 0.0000000 0.2475236), wk = 0.0030120 k( 154) = ( 0.0000000 0.0000000 0.2605512), wk = 0.0030120 k( 155) = ( 0.0000000 0.0000000 0.2735787), wk = 0.0030120 k( 156) = ( 0.0000000 0.0000000 0.2735787), wk = 0.0030120 k( 157) = ( 0.0000000 0.0131579 0.2735787), wk = 0.0030120 k( 158) = ( 0.0000000 0.0263158 0.2735787), wk = 0.0030120 k( 159) = ( 0.0000000 0.0394737 0.2735787), wk = 0.0030120 k( 160) = ( 0.0000000 0.0526316 0.2735787), wk = 0.0030120 k( 161) = ( 0.0000000 0.0657895 0.2735787), wk = 0.0030120 k( 162) = ( 0.0000000 0.0789474 0.2735787), wk = 0.0030120 k( 163) = ( 0.0000000 0.0921053 0.2735787), wk = 0.0030120 k( 164) = ( 0.0000000 0.1052632 0.2735787), wk = 0.0030120 k( 165) = ( 0.0000000 0.1184210 0.2735787), wk = 0.0030120 k( 166) = ( 0.0000000 0.1315790 0.2735787), wk = 0.0030120 k( 167) = ( 0.0000000 0.1447368 0.2735787), wk = 0.0030120 k( 168) = ( 0.0000000 0.1578947 0.2735787), wk = 0.0030120 k( 169) = ( 0.0000000 0.1710526 0.2735787), wk = 0.0030120 k( 170) = ( 0.0000000 0.1842105 0.2735787), wk = 0.0030120 k( 171) = ( 0.0000000 0.1973684 0.2735787), wk = 0.0030120 k( 172) = ( 0.0000000 0.2105263 0.2735787), wk = 0.0030120 k( 173) = ( 0.0000000 0.2236842 0.2735787), wk = 0.0030120 k( 174) = ( 0.0000000 0.2368421 0.2735787), wk = 0.0030120 k( 175) = ( 0.0000000 0.2500000 0.2735787), wk = 0.0030120 k( 176) = ( 0.0000000 0.2631579 0.2735787), wk = 0.0030120 k( 177) = ( 0.0000000 0.2763158 0.2735787), wk = 0.0030120 k( 178) = ( 0.0000000 0.2894737 0.2735787), wk = 0.0030120 k( 179) = ( 0.0000000 0.3026316 0.2735787), wk = 0.0030120 k( 180) = ( 0.0000000 0.3157895 0.2735787), wk = 0.0030120 k( 181) = ( 0.0000000 0.3289474 0.2735787), wk = 0.0030120 k( 182) = ( 0.0000000 0.3421053 0.2735787), wk = 0.0030120 k( 183) = ( 0.0000000 0.3552632 0.2735787), wk = 0.0030120 k( 184) = ( 0.0000000 0.3684211 0.2735787), wk = 0.0030120 k( 185) = ( 0.0000000 0.3815789 0.2735787), wk = 0.0030120 k( 186) = ( 0.0000000 0.3947368 0.2735787), wk = 0.0030120 k( 187) = ( 0.0000000 0.4078947 0.2735787), wk = 0.0030120 k( 188) = ( 0.0000000 0.4210526 0.2735787), wk = 0.0030120 k( 189) = ( 0.0000000 0.4342105 0.2735787), wk = 0.0030120 k( 190) = ( 0.0000000 0.4473684 0.2735787), wk = 0.0030120 k( 191) = ( 0.0000000 0.4605263 0.2735787), wk = 0.0030120 k( 192) = ( 0.0000000 0.4736842 0.2735787), wk = 0.0030120 k( 193) = ( 0.0000000 0.4868421 0.2735787), wk = 0.0030120 k( 194) = ( 0.0000000 0.5000000 0.2735787), wk = 0.0030120 k( 195) = ( 0.0000000 0.5000000 0.2735787), wk = 0.0030120 k( 196) = ( 0.0131579 0.5000000 0.2735787), wk = 0.0030120 k( 197) = ( 0.0263158 0.5000000 0.2735787), wk = 0.0030120 k( 198) = ( 0.0394737 0.5000000 0.2735787), wk = 0.0030120 k( 199) = ( 0.0526316 0.5000000 0.2735787), wk = 0.0030120 k( 200) = ( 0.0657895 0.5000000 0.2735787), wk = 0.0030120 k( 201) = ( 0.0789474 0.5000000 0.2735787), wk = 0.0030120 k( 202) = ( 0.0921053 0.5000000 0.2735787), wk = 0.0030120 k( 203) = ( 0.1052632 0.5000000 0.2735787), wk = 0.0030120 k( 204) = ( 0.1184210 0.5000000 0.2735787), wk = 0.0030120 k( 205) = ( 0.1315790 0.5000000 0.2735787), wk = 0.0030120 k( 206) = ( 0.1447368 0.5000000 0.2735787), wk = 0.0030120 k( 207) = ( 0.1578947 0.5000000 0.2735787), wk = 0.0030120 k( 208) = ( 0.1710526 0.5000000 0.2735787), wk = 0.0030120 k( 209) = ( 0.1842105 0.5000000 0.2735787), wk = 0.0030120 k( 210) = ( 0.1973684 0.5000000 0.2735787), wk = 0.0030120 k( 211) = ( 0.2105263 0.5000000 0.2735787), wk = 0.0030120 k( 212) = ( 0.2236842 0.5000000 0.2735787), wk = 0.0030120 k( 213) = ( 0.2368421 0.5000000 0.2735787), wk = 0.0030120 k( 214) = ( 0.2500000 0.5000000 0.2735787), wk = 0.0030120 k( 215) = ( 0.2631579 0.5000000 0.2735787), wk = 0.0030120 k( 216) = ( 0.2763158 0.5000000 0.2735787), wk = 0.0030120 k( 217) = ( 0.2894737 0.5000000 0.2735787), wk = 0.0030120 k( 218) = ( 0.3026316 0.5000000 0.2735787), wk = 0.0030120 k( 219) = ( 0.3157895 0.5000000 0.2735787), wk = 0.0030120 k( 220) = ( 0.3289474 0.5000000 0.2735787), wk = 0.0030120 k( 221) = ( 0.3421053 0.5000000 0.2735787), wk = 0.0030120 k( 222) = ( 0.3552632 0.5000000 0.2735787), wk = 0.0030120 k( 223) = ( 0.3684211 0.5000000 0.2735787), wk = 0.0030120 k( 224) = ( 0.3815789 0.5000000 0.2735787), wk = 0.0030120 k( 225) = ( 0.3947368 0.5000000 0.2735787), wk = 0.0030120 k( 226) = ( 0.4078947 0.5000000 0.2735787), wk = 0.0030120 k( 227) = ( 0.4210526 0.5000000 0.2735787), wk = 0.0030120 k( 228) = ( 0.4342105 0.5000000 0.2735787), wk = 0.0030120 k( 229) = ( 0.4473684 0.5000000 0.2735787), wk = 0.0030120 k( 230) = ( 0.4605263 0.5000000 0.2735787), wk = 0.0030120 k( 231) = ( 0.4736842 0.5000000 0.2735787), wk = 0.0030120 k( 232) = ( 0.4868421 0.5000000 0.2735787), wk = 0.0030120 k( 233) = ( 0.5000000 0.5000000 0.2735787), wk = 0.0030120 k( 234) = ( 0.5000000 0.5000000 0.2735787), wk = 0.0030120 k( 235) = ( 0.4907407 0.4907407 0.2735787), wk = 0.0030120 k( 236) = ( 0.4814815 0.4814815 0.2735787), wk = 0.0030120 k( 237) = ( 0.4722222 0.4722222 0.2735787), wk = 0.0030120 k( 238) = ( 0.4629630 0.4629630 0.2735787), wk = 0.0030120 k( 239) = ( 0.4537037 0.4537037 0.2735787), wk = 0.0030120 k( 240) = ( 0.4444444 0.4444444 0.2735787), wk = 0.0030120 k( 241) = ( 0.4351852 0.4351852 0.2735787), wk = 0.0030120 k( 242) = ( 0.4259259 0.4259259 0.2735787), wk = 0.0030120 k( 243) = ( 0.4166667 0.4166667 0.2735787), wk = 0.0030120 k( 244) = ( 0.4074074 0.4074074 0.2735787), wk = 0.0030120 k( 245) = ( 0.3981481 0.3981481 0.2735787), wk = 0.0030120 k( 246) = ( 0.3888889 0.3888889 0.2735787), wk = 0.0030120 k( 247) = ( 0.3796296 0.3796296 0.2735787), wk = 0.0030120 k( 248) = ( 0.3703704 0.3703704 0.2735787), wk = 0.0030120 k( 249) = ( 0.3611111 0.3611111 0.2735787), wk = 0.0030120 k( 250) = ( 0.3518519 0.3518518 0.2735787), wk = 0.0030120 k( 251) = ( 0.3425926 0.3425926 0.2735787), wk = 0.0030120 k( 252) = ( 0.3333333 0.3333333 0.2735787), wk = 0.0030120 k( 253) = ( 0.3240741 0.3240741 0.2735787), wk = 0.0030120 k( 254) = ( 0.3148148 0.3148148 0.2735787), wk = 0.0030120 k( 255) = ( 0.3055556 0.3055556 0.2735787), wk = 0.0030120 k( 256) = ( 0.2962963 0.2962963 0.2735787), wk = 0.0030120 k( 257) = ( 0.2870370 0.2870370 0.2735787), wk = 0.0030120 k( 258) = ( 0.2777778 0.2777778 0.2735787), wk = 0.0030120 k( 259) = ( 0.2685185 0.2685185 0.2735787), wk = 0.0030120 k( 260) = ( 0.2592593 0.2592593 0.2735787), wk = 0.0030120 k( 261) = ( 0.2500000 0.2500000 0.2735787), wk = 0.0030120 k( 262) = ( 0.2407407 0.2407407 0.2735787), wk = 0.0030120 k( 263) = ( 0.2314815 0.2314815 0.2735787), wk = 0.0030120 k( 264) = ( 0.2222222 0.2222222 0.2735787), wk = 0.0030120 k( 265) = ( 0.2129630 0.2129630 0.2735787), wk = 0.0030120 k( 266) = ( 0.2037037 0.2037037 0.2735787), wk = 0.0030120 k( 267) = ( 0.1944444 0.1944444 0.2735787), wk = 0.0030120 k( 268) = ( 0.1851852 0.1851852 0.2735787), wk = 0.0030120 k( 269) = ( 0.1759259 0.1759259 0.2735787), wk = 0.0030120 k( 270) = ( 0.1666667 0.1666667 0.2735787), wk = 0.0030120 k( 271) = ( 0.1574074 0.1574074 0.2735787), wk = 0.0030120 k( 272) = ( 0.1481482 0.1481481 0.2735787), wk = 0.0030120 k( 273) = ( 0.1388889 0.1388889 0.2735787), wk = 0.0030120 k( 274) = ( 0.1296296 0.1296296 0.2735787), wk = 0.0030120 k( 275) = ( 0.1203704 0.1203704 0.2735787), wk = 0.0030120 k( 276) = ( 0.1111111 0.1111111 0.2735787), wk = 0.0030120 k( 277) = ( 0.1018518 0.1018518 0.2735787), wk = 0.0030120 k( 278) = ( 0.0925926 0.0925926 0.2735787), wk = 0.0030120 k( 279) = ( 0.0833333 0.0833333 0.2735787), wk = 0.0030120 k( 280) = ( 0.0740741 0.0740741 0.2735787), wk = 0.0030120 k( 281) = ( 0.0648148 0.0648148 0.2735787), wk = 0.0030120 k( 282) = ( 0.0555556 0.0555556 0.2735787), wk = 0.0030120 k( 283) = ( 0.0462963 0.0462963 0.2735787), wk = 0.0030120 k( 284) = ( 0.0370370 0.0370370 0.2735787), wk = 0.0030120 k( 285) = ( 0.0277778 0.0277778 0.2735787), wk = 0.0030120 k( 286) = ( 0.0185185 0.0185185 0.2735787), wk = 0.0030120 k( 287) = ( 0.0092593 0.0092593 0.2735787), wk = 0.0030120 k( 288) = ( 0.0000000 0.0000000 0.2735787), wk = 0.0030120 k( 289) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030120 k( 290) = ( 0.0000000 0.5000000 0.0130276), wk = 0.0030120 k( 291) = ( 0.0000000 0.5000000 0.0260551), wk = 0.0030120 k( 292) = ( 0.0000000 0.5000000 0.0390827), wk = 0.0030120 k( 293) = ( 0.0000000 0.5000000 0.0521102), wk = 0.0030120 k( 294) = ( 0.0000000 0.5000000 0.0651378), wk = 0.0030120 k( 295) = ( 0.0000000 0.5000000 0.0781653), wk = 0.0030120 k( 296) = ( 0.0000000 0.5000000 0.0911929), wk = 0.0030120 k( 297) = ( 0.0000000 0.5000000 0.1042205), wk = 0.0030120 k( 298) = ( 0.0000000 0.5000000 0.1172480), wk = 0.0030120 k( 299) = ( 0.0000000 0.5000000 0.1302756), wk = 0.0030120 k( 300) = ( 0.0000000 0.5000000 0.1433031), wk = 0.0030120 k( 301) = ( 0.0000000 0.5000000 0.1563307), wk = 0.0030120 k( 302) = ( 0.0000000 0.5000000 0.1693583), wk = 0.0030120 k( 303) = ( 0.0000000 0.5000000 0.1823858), wk = 0.0030120 k( 304) = ( 0.0000000 0.5000000 0.1954134), wk = 0.0030120 k( 305) = ( 0.0000000 0.5000000 0.2084409), wk = 0.0030120 k( 306) = ( 0.0000000 0.5000000 0.2214685), wk = 0.0030120 k( 307) = ( 0.0000000 0.5000000 0.2344961), wk = 0.0030120 k( 308) = ( 0.0000000 0.5000000 0.2475236), wk = 0.0030120 k( 309) = ( 0.0000000 0.5000000 0.2605512), wk = 0.0030120 k( 310) = ( 0.0000000 0.5000000 0.2735787), wk = 0.0030120 k( 311) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030120 k( 312) = ( 0.5000000 0.5000000 0.0130276), wk = 0.0030120 k( 313) = ( 0.5000000 0.5000000 0.0260551), wk = 0.0030120 k( 314) = ( 0.5000000 0.5000000 0.0390827), wk = 0.0030120 k( 315) = ( 0.5000000 0.5000000 0.0521102), wk = 0.0030120 k( 316) = ( 0.5000000 0.5000000 0.0651378), wk = 0.0030120 k( 317) = ( 0.5000000 0.5000000 0.0781653), wk = 0.0030120 k( 318) = ( 0.5000000 0.5000000 0.0911929), wk = 0.0030120 k( 319) = ( 0.5000000 0.5000000 0.1042205), wk = 0.0030120 k( 320) = ( 0.5000000 0.5000000 0.1172480), wk = 0.0030120 k( 321) = ( 0.5000000 0.5000000 0.1302756), wk = 0.0030120 k( 322) = ( 0.5000000 0.5000000 0.1433031), wk = 0.0030120 k( 323) = ( 0.5000000 0.5000000 0.1563307), wk = 0.0030120 k( 324) = ( 0.5000000 0.5000000 0.1693583), wk = 0.0030120 k( 325) = ( 0.5000000 0.5000000 0.1823858), wk = 0.0030120 k( 326) = ( 0.5000000 0.5000000 0.1954134), wk = 0.0030120 k( 327) = ( 0.5000000 0.5000000 0.2084409), wk = 0.0030120 k( 328) = ( 0.5000000 0.5000000 0.2214685), wk = 0.0030120 k( 329) = ( 0.5000000 0.5000000 0.2344961), wk = 0.0030120 k( 330) = ( 0.5000000 0.5000000 0.2475236), wk = 0.0030120 k( 331) = ( 0.5000000 0.5000000 0.2605512), wk = 0.0030120 k( 332) = ( 0.5000000 0.5000000 0.2735787), wk = 0.0030120 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 2) = ( 0.0000000 0.0131579 0.0000000), wk = 0.0030120 k( 3) = ( 0.0000000 0.0263158 -0.0000000), wk = 0.0030120 k( 4) = ( 0.0000000 0.0394737 -0.0000000), wk = 0.0030120 k( 5) = ( 0.0000000 0.0526316 -0.0000000), wk = 0.0030120 k( 6) = ( 0.0000000 0.0657895 0.0000000), wk = 0.0030120 k( 7) = ( 0.0000000 0.0789474 0.0000000), wk = 0.0030120 k( 8) = ( 0.0000000 0.0921053 0.0000000), wk = 0.0030120 k( 9) = ( 0.0000000 0.1052632 -0.0000000), wk = 0.0030120 k( 10) = ( 0.0000000 0.1184210 -0.0000000), wk = 0.0030120 k( 11) = ( 0.0000000 0.1315790 0.0000000), wk = 0.0030120 k( 12) = ( 0.0000000 0.1447368 0.0000000), wk = 0.0030120 k( 13) = ( 0.0000000 0.1578947 0.0000000), wk = 0.0030120 k( 14) = ( 0.0000000 0.1710526 -0.0000000), wk = 0.0030120 k( 15) = ( 0.0000000 0.1842105 -0.0000000), wk = 0.0030120 k( 16) = ( 0.0000000 0.1973684 -0.0000000), wk = 0.0030120 k( 17) = ( 0.0000000 0.2105263 -0.0000000), wk = 0.0030120 k( 18) = ( 0.0000000 0.2236842 -0.0000000), wk = 0.0030120 k( 19) = ( 0.0000000 0.2368421 0.0000000), wk = 0.0030120 k( 20) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0030120 k( 21) = ( 0.0000000 0.2631579 -0.0000000), wk = 0.0030120 k( 22) = ( 0.0000000 0.2763158 0.0000000), wk = 0.0030120 k( 23) = ( 0.0000000 0.2894737 0.0000000), wk = 0.0030120 k( 24) = ( 0.0000000 0.3026316 -0.0000000), wk = 0.0030120 k( 25) = ( 0.0000000 0.3157895 0.0000000), wk = 0.0030120 k( 26) = ( 0.0000000 0.3289474 -0.0000000), wk = 0.0030120 k( 27) = ( 0.0000000 0.3421053 -0.0000000), wk = 0.0030120 k( 28) = ( 0.0000000 0.3552632 -0.0000000), wk = 0.0030120 k( 29) = ( 0.0000000 0.3684211 -0.0000000), wk = 0.0030120 k( 30) = ( 0.0000000 0.3815789 0.0000000), wk = 0.0030120 k( 31) = ( 0.0000000 0.3947368 -0.0000000), wk = 0.0030120 k( 32) = ( 0.0000000 0.4078947 0.0000000), wk = 0.0030120 k( 33) = ( 0.0000000 0.4210526 0.0000000), wk = 0.0030120 k( 34) = ( 0.0000000 0.4342105 -0.0000000), wk = 0.0030120 k( 35) = ( 0.0000000 0.4473684 -0.0000000), wk = 0.0030120 k( 36) = ( 0.0000000 0.4605263 -0.0000000), wk = 0.0030120 k( 37) = ( 0.0000000 0.4736842 0.0000000), wk = 0.0030120 k( 38) = ( 0.0000000 0.4868421 0.0000000), wk = 0.0030120 k( 39) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030120 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030120 k( 41) = ( 0.0131579 0.5000000 -0.0000000), wk = 0.0030120 k( 42) = ( 0.0263158 0.5000000 0.0000000), wk = 0.0030120 k( 43) = ( 0.0394737 0.5000000 -0.0000000), wk = 0.0030120 k( 44) = ( 0.0526316 0.5000000 -0.0000000), wk = 0.0030120 k( 45) = ( 0.0657895 0.5000000 0.0000000), wk = 0.0030120 k( 46) = ( 0.0789474 0.5000000 -0.0000000), wk = 0.0030120 k( 47) = ( 0.0921053 0.5000000 0.0000000), wk = 0.0030120 k( 48) = ( 0.1052632 0.5000000 -0.0000000), wk = 0.0030120 k( 49) = ( 0.1184210 0.5000000 -0.0000000), wk = 0.0030120 k( 50) = ( 0.1315790 0.5000000 0.0000000), wk = 0.0030120 k( 51) = ( 0.1447368 0.5000000 -0.0000000), wk = 0.0030120 k( 52) = ( 0.1578947 0.5000000 0.0000000), wk = 0.0030120 k( 53) = ( 0.1710526 0.5000000 0.0000000), wk = 0.0030120 k( 54) = ( 0.1842105 0.5000000 -0.0000000), wk = 0.0030120 k( 55) = ( 0.1973684 0.5000000 0.0000000), wk = 0.0030120 k( 56) = ( 0.2105263 0.5000000 -0.0000000), wk = 0.0030120 k( 57) = ( 0.2236842 0.5000000 0.0000000), wk = 0.0030120 k( 58) = ( 0.2368421 0.5000000 -0.0000000), wk = 0.0030120 k( 59) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0030120 k( 60) = ( 0.2631579 0.5000000 0.0000000), wk = 0.0030120 k( 61) = ( 0.2763158 0.5000000 0.0000000), wk = 0.0030120 k( 62) = ( 0.2894737 0.5000000 -0.0000000), wk = 0.0030120 k( 63) = ( 0.3026316 0.5000000 -0.0000000), wk = 0.0030120 k( 64) = ( 0.3157895 0.5000000 -0.0000000), wk = 0.0030120 k( 65) = ( 0.3289474 0.5000000 -0.0000000), wk = 0.0030120 k( 66) = ( 0.3421053 0.5000000 0.0000000), wk = 0.0030120 k( 67) = ( 0.3552632 0.5000000 -0.0000000), wk = 0.0030120 k( 68) = ( 0.3684211 0.5000000 -0.0000000), wk = 0.0030120 k( 69) = ( 0.3815789 0.5000000 -0.0000000), wk = 0.0030120 k( 70) = ( 0.3947368 0.5000000 0.0000000), wk = 0.0030120 k( 71) = ( 0.4078947 0.5000000 -0.0000000), wk = 0.0030120 k( 72) = ( 0.4210526 0.5000000 -0.0000000), wk = 0.0030120 k( 73) = ( 0.4342105 0.5000000 -0.0000000), wk = 0.0030120 k( 74) = ( 0.4473684 0.5000000 -0.0000000), wk = 0.0030120 k( 75) = ( 0.4605263 0.5000000 0.0000000), wk = 0.0030120 k( 76) = ( 0.4736842 0.5000000 0.0000000), wk = 0.0030120 k( 77) = ( 0.4868421 0.5000000 -0.0000000), wk = 0.0030120 k( 78) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030120 k( 79) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030120 k( 80) = ( 0.4907407 0.4907407 0.0000000), wk = 0.0030120 k( 81) = ( 0.4814815 0.4814815 0.0000000), wk = 0.0030120 k( 82) = ( 0.4722222 0.4722222 -0.0000000), wk = 0.0030120 k( 83) = ( 0.4629630 0.4629630 0.0000000), wk = 0.0030120 k( 84) = ( 0.4537037 0.4537037 0.0000000), wk = 0.0030120 k( 85) = ( 0.4444444 0.4444444 -0.0000000), wk = 0.0030120 k( 86) = ( 0.4351852 0.4351852 0.0000000), wk = 0.0030120 k( 87) = ( 0.4259259 0.4259259 -0.0000000), wk = 0.0030120 k( 88) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0030120 k( 89) = ( 0.4074074 0.4074074 -0.0000000), wk = 0.0030120 k( 90) = ( 0.3981481 0.3981481 -0.0000000), wk = 0.0030120 k( 91) = ( 0.3888889 0.3888889 -0.0000000), wk = 0.0030120 k( 92) = ( 0.3796296 0.3796296 -0.0000000), wk = 0.0030120 k( 93) = ( 0.3703704 0.3703704 -0.0000000), wk = 0.0030120 k( 94) = ( 0.3611111 0.3611111 -0.0000000), wk = 0.0030120 k( 95) = ( 0.3518519 0.3518519 -0.0000000), wk = 0.0030120 k( 96) = ( 0.3425926 0.3425926 -0.0000000), wk = 0.0030120 k( 97) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0030120 k( 98) = ( 0.3240741 0.3240741 -0.0000000), wk = 0.0030120 k( 99) = ( 0.3148148 0.3148148 -0.0000000), wk = 0.0030120 k( 100) = ( 0.3055556 0.3055556 -0.0000000), wk = 0.0030120 k( 101) = ( 0.2962963 0.2962963 -0.0000000), wk = 0.0030120 k( 102) = ( 0.2870370 0.2870370 -0.0000000), wk = 0.0030120 k( 103) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0030120 k( 104) = ( 0.2685185 0.2685185 0.0000000), wk = 0.0030120 k( 105) = ( 0.2592593 0.2592593 0.0000000), wk = 0.0030120 k( 106) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0030120 k( 107) = ( 0.2407407 0.2407407 0.0000000), wk = 0.0030120 k( 108) = ( 0.2314815 0.2314815 0.0000000), wk = 0.0030120 k( 109) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0030120 k( 110) = ( 0.2129630 0.2129630 -0.0000000), wk = 0.0030120 k( 111) = ( 0.2037037 0.2037037 0.0000000), wk = 0.0030120 k( 112) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0030120 k( 113) = ( 0.1851852 0.1851852 0.0000000), wk = 0.0030120 k( 114) = ( 0.1759259 0.1759259 0.0000000), wk = 0.0030120 k( 115) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0030120 k( 116) = ( 0.1574074 0.1574074 -0.0000000), wk = 0.0030120 k( 117) = ( 0.1481482 0.1481482 -0.0000000), wk = 0.0030120 k( 118) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0030120 k( 119) = ( 0.1296296 0.1296296 0.0000000), wk = 0.0030120 k( 120) = ( 0.1203704 0.1203704 0.0000000), wk = 0.0030120 k( 121) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0030120 k( 122) = ( 0.1018518 0.1018518 0.0000000), wk = 0.0030120 k( 123) = ( 0.0925926 0.0925926 -0.0000000), wk = 0.0030120 k( 124) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0030120 k( 125) = ( 0.0740741 0.0740741 -0.0000000), wk = 0.0030120 k( 126) = ( 0.0648148 0.0648148 -0.0000000), wk = 0.0030120 k( 127) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0030120 k( 128) = ( 0.0462963 0.0462963 -0.0000000), wk = 0.0030120 k( 129) = ( 0.0370370 0.0370370 -0.0000000), wk = 0.0030120 k( 130) = ( 0.0277778 0.0277778 0.0000000), wk = 0.0030120 k( 131) = ( 0.0185185 0.0185185 -0.0000000), wk = 0.0030120 k( 132) = ( 0.0092593 0.0092593 -0.0000000), wk = 0.0030120 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 135) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0030120 k( 136) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0030120 k( 137) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0030120 k( 138) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0030120 k( 139) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0030120 k( 140) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0030120 k( 141) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0030120 k( 142) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0030120 k( 143) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0030120 k( 144) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0030120 k( 145) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0030120 k( 146) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0030120 k( 147) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0030120 k( 148) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0030120 k( 149) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0030120 k( 150) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0030120 k( 151) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0030120 k( 152) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0030120 k( 153) = ( 0.0000000 0.0000000 0.4523810), wk = 0.0030120 k( 154) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0030120 k( 155) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030120 k( 156) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030120 k( 157) = ( 0.0000000 0.0131579 0.5000000), wk = 0.0030120 k( 158) = ( 0.0000000 0.0263158 0.5000000), wk = 0.0030120 k( 159) = ( 0.0000000 0.0394737 0.5000000), wk = 0.0030120 k( 160) = ( 0.0000000 0.0526316 0.5000000), wk = 0.0030120 k( 161) = ( 0.0000000 0.0657895 0.5000000), wk = 0.0030120 k( 162) = ( 0.0000000 0.0789474 0.5000000), wk = 0.0030120 k( 163) = ( 0.0000000 0.0921053 0.5000000), wk = 0.0030120 k( 164) = ( 0.0000000 0.1052632 0.5000000), wk = 0.0030120 k( 165) = ( 0.0000000 0.1184210 0.5000000), wk = 0.0030120 k( 166) = ( 0.0000000 0.1315790 0.5000000), wk = 0.0030120 k( 167) = ( 0.0000000 0.1447368 0.5000000), wk = 0.0030120 k( 168) = ( 0.0000000 0.1578947 0.5000000), wk = 0.0030120 k( 169) = ( 0.0000000 0.1710526 0.5000000), wk = 0.0030120 k( 170) = ( 0.0000000 0.1842105 0.5000000), wk = 0.0030120 k( 171) = ( 0.0000000 0.1973684 0.5000000), wk = 0.0030120 k( 172) = ( 0.0000000 0.2105263 0.5000000), wk = 0.0030120 k( 173) = ( 0.0000000 0.2236842 0.5000000), wk = 0.0030120 k( 174) = ( 0.0000000 0.2368421 0.5000000), wk = 0.0030120 k( 175) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0030120 k( 176) = ( 0.0000000 0.2631579 0.5000000), wk = 0.0030120 k( 177) = ( 0.0000000 0.2763158 0.5000000), wk = 0.0030120 k( 178) = ( 0.0000000 0.2894737 0.5000000), wk = 0.0030120 k( 179) = ( 0.0000000 0.3026316 0.5000000), wk = 0.0030120 k( 180) = ( 0.0000000 0.3157895 0.5000000), wk = 0.0030120 k( 181) = ( 0.0000000 0.3289474 0.5000000), wk = 0.0030120 k( 182) = ( 0.0000000 0.3421053 0.5000000), wk = 0.0030120 k( 183) = ( 0.0000000 0.3552632 0.5000000), wk = 0.0030120 k( 184) = ( 0.0000000 0.3684211 0.5000000), wk = 0.0030120 k( 185) = ( 0.0000000 0.3815789 0.5000000), wk = 0.0030120 k( 186) = ( 0.0000000 0.3947368 0.5000000), wk = 0.0030120 k( 187) = ( 0.0000000 0.4078947 0.5000000), wk = 0.0030120 k( 188) = ( 0.0000000 0.4210526 0.5000000), wk = 0.0030120 k( 189) = ( 0.0000000 0.4342105 0.5000000), wk = 0.0030120 k( 190) = ( 0.0000000 0.4473684 0.5000000), wk = 0.0030120 k( 191) = ( 0.0000000 0.4605263 0.5000000), wk = 0.0030120 k( 192) = ( 0.0000000 0.4736842 0.5000000), wk = 0.0030120 k( 193) = ( 0.0000000 0.4868421 0.5000000), wk = 0.0030120 k( 194) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0030120 k( 195) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0030120 k( 196) = ( 0.0131579 0.5000000 0.5000000), wk = 0.0030120 k( 197) = ( 0.0263158 0.5000000 0.5000000), wk = 0.0030120 k( 198) = ( 0.0394737 0.5000000 0.5000000), wk = 0.0030120 k( 199) = ( 0.0526316 0.5000000 0.5000000), wk = 0.0030120 k( 200) = ( 0.0657895 0.5000000 0.5000000), wk = 0.0030120 k( 201) = ( 0.0789474 0.5000000 0.5000000), wk = 0.0030120 k( 202) = ( 0.0921053 0.5000000 0.5000000), wk = 0.0030120 k( 203) = ( 0.1052632 0.5000000 0.5000000), wk = 0.0030120 k( 204) = ( 0.1184210 0.5000000 0.5000000), wk = 0.0030120 k( 205) = ( 0.1315790 0.5000000 0.5000000), wk = 0.0030120 k( 206) = ( 0.1447368 0.5000000 0.5000000), wk = 0.0030120 k( 207) = ( 0.1578947 0.5000000 0.5000000), wk = 0.0030120 k( 208) = ( 0.1710526 0.5000000 0.5000000), wk = 0.0030120 k( 209) = ( 0.1842105 0.5000000 0.5000000), wk = 0.0030120 k( 210) = ( 0.1973684 0.5000000 0.5000000), wk = 0.0030120 k( 211) = ( 0.2105263 0.5000000 0.5000000), wk = 0.0030120 k( 212) = ( 0.2236842 0.5000000 0.5000000), wk = 0.0030120 k( 213) = ( 0.2368421 0.5000000 0.5000000), wk = 0.0030120 k( 214) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0030120 k( 215) = ( 0.2631579 0.5000000 0.5000000), wk = 0.0030120 k( 216) = ( 0.2763158 0.5000000 0.5000000), wk = 0.0030120 k( 217) = ( 0.2894737 0.5000000 0.5000000), wk = 0.0030120 k( 218) = ( 0.3026316 0.5000000 0.5000000), wk = 0.0030120 k( 219) = ( 0.3157895 0.5000000 0.5000000), wk = 0.0030120 k( 220) = ( 0.3289474 0.5000000 0.5000000), wk = 0.0030120 k( 221) = ( 0.3421053 0.5000000 0.5000000), wk = 0.0030120 k( 222) = ( 0.3552632 0.5000000 0.5000000), wk = 0.0030120 k( 223) = ( 0.3684211 0.5000000 0.5000000), wk = 0.0030120 k( 224) = ( 0.3815789 0.5000000 0.5000000), wk = 0.0030120 k( 225) = ( 0.3947368 0.5000000 0.5000000), wk = 0.0030120 k( 226) = ( 0.4078947 0.5000000 0.5000000), wk = 0.0030120 k( 227) = ( 0.4210526 0.5000000 0.5000000), wk = 0.0030120 k( 228) = ( 0.4342105 0.5000000 0.5000000), wk = 0.0030120 k( 229) = ( 0.4473684 0.5000000 0.5000000), wk = 0.0030120 k( 230) = ( 0.4605263 0.5000000 0.5000000), wk = 0.0030120 k( 231) = ( 0.4736842 0.5000000 0.5000000), wk = 0.0030120 k( 232) = ( 0.4868421 0.5000000 0.5000000), wk = 0.0030120 k( 233) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030120 k( 234) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030120 k( 235) = ( 0.4907407 0.4907407 0.5000000), wk = 0.0030120 k( 236) = ( 0.4814815 0.4814815 0.5000000), wk = 0.0030120 k( 237) = ( 0.4722222 0.4722222 0.5000000), wk = 0.0030120 k( 238) = ( 0.4629630 0.4629630 0.5000000), wk = 0.0030120 k( 239) = ( 0.4537037 0.4537037 0.5000000), wk = 0.0030120 k( 240) = ( 0.4444444 0.4444444 0.5000000), wk = 0.0030120 k( 241) = ( 0.4351852 0.4351852 0.5000000), wk = 0.0030120 k( 242) = ( 0.4259259 0.4259259 0.5000000), wk = 0.0030120 k( 243) = ( 0.4166667 0.4166667 0.5000000), wk = 0.0030120 k( 244) = ( 0.4074074 0.4074074 0.5000000), wk = 0.0030120 k( 245) = ( 0.3981481 0.3981481 0.5000000), wk = 0.0030120 k( 246) = ( 0.3888889 0.3888889 0.5000000), wk = 0.0030120 k( 247) = ( 0.3796296 0.3796296 0.5000000), wk = 0.0030120 k( 248) = ( 0.3703704 0.3703704 0.5000000), wk = 0.0030120 k( 249) = ( 0.3611111 0.3611111 0.5000000), wk = 0.0030120 k( 250) = ( 0.3518519 0.3518519 0.5000000), wk = 0.0030120 k( 251) = ( 0.3425926 0.3425926 0.5000000), wk = 0.0030120 k( 252) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030120 k( 253) = ( 0.3240741 0.3240741 0.5000000), wk = 0.0030120 k( 254) = ( 0.3148148 0.3148148 0.5000000), wk = 0.0030120 k( 255) = ( 0.3055556 0.3055556 0.5000000), wk = 0.0030120 k( 256) = ( 0.2962963 0.2962963 0.5000000), wk = 0.0030120 k( 257) = ( 0.2870370 0.2870370 0.5000000), wk = 0.0030120 k( 258) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0030120 k( 259) = ( 0.2685185 0.2685185 0.5000000), wk = 0.0030120 k( 260) = ( 0.2592593 0.2592593 0.5000000), wk = 0.0030120 k( 261) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0030120 k( 262) = ( 0.2407407 0.2407407 0.5000000), wk = 0.0030120 k( 263) = ( 0.2314815 0.2314815 0.5000000), wk = 0.0030120 k( 264) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0030120 k( 265) = ( 0.2129630 0.2129630 0.5000000), wk = 0.0030120 k( 266) = ( 0.2037037 0.2037037 0.5000000), wk = 0.0030120 k( 267) = ( 0.1944444 0.1944444 0.5000000), wk = 0.0030120 k( 268) = ( 0.1851852 0.1851852 0.5000000), wk = 0.0030120 k( 269) = ( 0.1759259 0.1759259 0.5000000), wk = 0.0030120 k( 270) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0030120 k( 271) = ( 0.1574074 0.1574074 0.5000000), wk = 0.0030120 k( 272) = ( 0.1481482 0.1481482 0.5000000), wk = 0.0030120 k( 273) = ( 0.1388889 0.1388889 0.5000000), wk = 0.0030120 k( 274) = ( 0.1296296 0.1296296 0.5000000), wk = 0.0030120 k( 275) = ( 0.1203704 0.1203704 0.5000000), wk = 0.0030120 k( 276) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0030120 k( 277) = ( 0.1018518 0.1018518 0.5000000), wk = 0.0030120 k( 278) = ( 0.0925926 0.0925926 0.5000000), wk = 0.0030120 k( 279) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0030120 k( 280) = ( 0.0740741 0.0740741 0.5000000), wk = 0.0030120 k( 281) = ( 0.0648148 0.0648148 0.5000000), wk = 0.0030120 k( 282) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0030120 k( 283) = ( 0.0462963 0.0462963 0.5000000), wk = 0.0030120 k( 284) = ( 0.0370370 0.0370370 0.5000000), wk = 0.0030120 k( 285) = ( 0.0277778 0.0277778 0.5000000), wk = 0.0030120 k( 286) = ( 0.0185185 0.0185185 0.5000000), wk = 0.0030120 k( 287) = ( 0.0092593 0.0092593 0.5000000), wk = 0.0030120 k( 288) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030120 k( 289) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030120 k( 290) = ( 0.0000000 0.5000000 0.0238095), wk = 0.0030120 k( 291) = ( 0.0000000 0.5000000 0.0476191), wk = 0.0030120 k( 292) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0030120 k( 293) = ( 0.0000000 0.5000000 0.0952381), wk = 0.0030120 k( 294) = ( 0.0000000 0.5000000 0.1190476), wk = 0.0030120 k( 295) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0030120 k( 296) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0030120 k( 297) = ( 0.0000000 0.5000000 0.1904762), wk = 0.0030120 k( 298) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0030120 k( 299) = ( 0.0000000 0.5000000 0.2380952), wk = 0.0030120 k( 300) = ( 0.0000000 0.5000000 0.2619048), wk = 0.0030120 k( 301) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0030120 k( 302) = ( 0.0000000 0.5000000 0.3095238), wk = 0.0030120 k( 303) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0030120 k( 304) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0030120 k( 305) = ( 0.0000000 0.5000000 0.3809524), wk = 0.0030120 k( 306) = ( 0.0000000 0.5000000 0.4047619), wk = 0.0030120 k( 307) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0030120 k( 308) = ( 0.0000000 0.5000000 0.4523810), wk = 0.0030120 k( 309) = ( 0.0000000 0.5000000 0.4761905), wk = 0.0030120 k( 310) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0030120 k( 311) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030120 k( 312) = ( 0.5000000 0.5000000 0.0238095), wk = 0.0030120 k( 313) = ( 0.5000000 0.5000000 0.0476191), wk = 0.0030120 k( 314) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0030120 k( 315) = ( 0.5000000 0.5000000 0.0952381), wk = 0.0030120 k( 316) = ( 0.5000000 0.5000000 0.1190476), wk = 0.0030120 k( 317) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0030120 k( 318) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0030120 k( 319) = ( 0.5000000 0.5000000 0.1904762), wk = 0.0030120 k( 320) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0030120 k( 321) = ( 0.5000000 0.5000000 0.2380952), wk = 0.0030120 k( 322) = ( 0.5000000 0.5000000 0.2619048), wk = 0.0030120 k( 323) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0030120 k( 324) = ( 0.5000000 0.5000000 0.3095238), wk = 0.0030120 k( 325) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0030120 k( 326) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0030120 k( 327) = ( 0.5000000 0.5000000 0.3809524), wk = 0.0030120 k( 328) = ( 0.5000000 0.5000000 0.4047619), wk = 0.0030120 k( 329) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0030120 k( 330) = ( 0.5000000 0.5000000 0.4523810), wk = 0.0030120 k( 331) = ( 0.5000000 0.5000000 0.4761905), wk = 0.0030120 k( 332) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030120 Dense grid: 86855 G-vectors FFT dimensions: ( 45, 45, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.37 Mb ( 632, 38) NL pseudopotentials 0.50 Mb ( 316, 104) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.02 Mb ( 2412) G-vector shells 0.01 Mb ( 1129) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.47 Mb ( 632, 152) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.12 Mb ( 104, 2, 38) The potential is recalculated from file : ./CsBr2F.save/charge-density.dat Starting wfc are 34 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.3 secs Computing kpt #: 2 total cpu time spent up to now is 4.9 secs Computing kpt #: 3 total cpu time spent up to now is 5.4 secs Computing kpt #: 4 total cpu time spent up to now is 5.9 secs Computing kpt #: 5 total cpu time spent up to now is 6.4 secs Computing kpt #: 6 total cpu time spent up to now is 6.8 secs Computing kpt #: 7 total cpu time spent up to now is 7.3 secs Computing kpt #: 8 total cpu time spent up to now is 7.9 secs Computing kpt #: 9 total cpu time spent up to now is 8.4 secs Computing kpt #: 10 total cpu time spent up to now is 8.9 secs Computing kpt #: 11 total cpu time spent up to now is 9.5 secs Computing kpt #: 12 total cpu time spent up to now is 10.1 secs Computing kpt #: 13 total cpu time spent up to now is 10.7 secs Computing kpt #: 14 total cpu time spent up to now is 11.3 secs Computing kpt #: 15 total cpu time spent up to now is 11.9 secs Computing kpt #: 16 total cpu time spent up to now is 12.5 secs Computing kpt #: 17 total cpu time spent up to now is 13.0 secs Computing kpt #: 18 total cpu time spent up to now is 13.5 secs Computing kpt #: 19 total cpu time spent up to now is 14.0 secs Computing kpt #: 20 total cpu time spent up to now is 14.5 secs Computing kpt #: 21 total cpu time spent up to now is 15.0 secs Computing kpt #: 22 total cpu time spent up to now is 15.5 secs Computing kpt #: 23 total cpu time spent up to now is 16.0 secs Computing kpt #: 24 total cpu time spent up to now is 16.5 secs Computing kpt #: 25 total cpu time spent up to now is 17.0 secs Computing kpt #: 26 total cpu time spent up to now is 17.4 secs Computing kpt #: 27 total cpu time spent up to now is 17.9 secs Computing kpt #: 28 total cpu time spent up to now is 18.4 secs Computing kpt #: 29 total cpu time spent up to now is 18.9 secs Computing kpt #: 30 total cpu time spent up to now is 19.3 secs Computing kpt #: 31 total cpu time spent up to now is 19.8 secs Computing kpt #: 32 total cpu time spent up to now is 20.3 secs Computing kpt #: 33 total cpu time spent up to now is 20.8 secs Computing kpt #: 34 total cpu time spent up to now is 21.2 secs Computing kpt #: 35 total cpu time spent up to now is 21.7 secs Computing kpt #: 36 total cpu time spent up to now is 22.2 secs Computing kpt #: 37 total cpu time spent up to now is 22.7 secs Computing kpt #: 38 total cpu time spent up to now is 23.2 secs Computing kpt #: 39 total cpu time spent up to now is 23.7 secs Computing kpt #: 40 total cpu time spent up to now is 24.2 secs Computing kpt #: 41 total cpu time spent up to now is 24.9 secs Computing kpt #: 42 total cpu time spent up to now is 25.7 secs Computing kpt #: 43 total cpu time spent up to now is 26.4 secs Computing kpt #: 44 total cpu time spent up to now is 26.9 secs Computing kpt #: 45 total cpu time spent up to now is 27.5 secs Computing kpt #: 46 total cpu time spent up to now is 28.1 secs Computing kpt #: 47 total cpu time spent up to now is 28.6 secs Computing kpt #: 48 total cpu time spent up to now is 29.1 secs Computing kpt #: 49 total cpu time spent up to now is 29.6 secs Computing kpt #: 50 total cpu time spent up to now is 30.1 secs Computing kpt #: 51 total cpu time spent up to now is 30.6 secs Computing kpt #: 52 total cpu time spent up to now is 31.1 secs Computing kpt #: 53 total cpu time spent up to now is 31.6 secs Computing kpt #: 54 total cpu time spent up to now is 32.1 secs Computing kpt #: 55 total cpu time spent up to now is 32.7 secs Computing kpt #: 56 total cpu time spent up to now is 33.3 secs Computing kpt #: 57 total cpu time spent up to now is 33.9 secs Computing kpt #: 58 total cpu time spent up to now is 34.5 secs Computing kpt #: 59 total cpu time spent up to now is 35.0 secs Computing kpt #: 60 total cpu time spent up to now is 35.5 secs Computing kpt #: 61 total cpu time spent up to now is 36.0 secs Computing kpt #: 62 total cpu time spent up to now is 36.5 secs Computing kpt #: 63 total cpu time spent up to now is 37.0 secs Computing kpt #: 64 total cpu time spent up to now is 37.4 secs Computing kpt #: 65 total cpu time spent up to now is 37.9 secs Computing kpt #: 66 total cpu time spent up to now is 38.4 secs Computing kpt #: 67 total cpu time spent up to now is 38.8 secs Computing kpt #: 68 total cpu time spent up to now is 39.3 secs Computing kpt #: 69 total cpu time spent up to now is 39.8 secs Computing kpt #: 70 total cpu time spent up to now is 40.2 secs Computing kpt #: 71 total cpu time spent up to now is 40.7 secs Computing kpt #: 72 total cpu time spent up to now is 41.1 secs Computing kpt #: 73 total cpu time spent up to now is 41.6 secs Computing kpt #: 74 total cpu time spent up to now is 42.0 secs Computing kpt #: 75 total cpu time spent up to now is 42.5 secs Computing kpt #: 76 total cpu time spent up to now is 42.9 secs Computing kpt #: 77 total cpu time spent up to now is 43.4 secs Computing kpt #: 78 total cpu time spent up to now is 43.8 secs Computing kpt #: 79 total cpu time spent up to now is 44.2 secs Computing kpt #: 80 total cpu time spent up to now is 44.7 secs Computing kpt #: 81 total cpu time spent up to now is 45.1 secs Computing kpt #: 82 total cpu time spent up to now is 45.6 secs Computing kpt #: 83 total cpu time spent up to now is 46.0 secs Computing kpt #: 84 total cpu time spent up to now is 46.5 secs Computing kpt #: 85 total cpu time spent up to now is 46.9 secs Computing kpt #: 86 total cpu time spent up to now is 47.4 secs Computing kpt #: 87 total cpu time spent up to now is 47.8 secs Computing kpt #: 88 total cpu time spent up to now is 48.3 secs Computing kpt #: 89 total cpu time spent up to now is 48.7 secs Computing kpt #: 90 total cpu time spent up to now is 49.2 secs Computing kpt #: 91 total cpu time spent up to now is 49.6 secs Computing kpt #: 92 total cpu time spent up to now is 50.1 secs Computing kpt #: 93 total cpu time spent up to now is 50.6 secs Computing kpt #: 94 total cpu time spent up to now is 51.0 secs Computing kpt #: 95 total cpu time spent up to now is 51.5 secs Computing kpt #: 96 total cpu time spent up to now is 52.0 secs Computing kpt #: 97 total cpu time spent up to now is 52.4 secs Computing kpt #: 98 total cpu time spent up to now is 52.9 secs Computing kpt #: 99 total cpu time spent up to now is 53.4 secs Computing kpt #: 100 total cpu time spent up to now is 53.9 secs Computing kpt #: 101 total cpu time spent up to now is 54.4 secs Computing kpt #: 102 total cpu time spent up to now is 54.9 secs Computing kpt #: 103 total cpu time spent up to now is 55.4 secs Computing kpt #: 104 total cpu time spent up to now is 55.9 secs Computing kpt #: 105 total cpu time spent up to now is 56.5 secs Computing kpt #: 106 total cpu time spent up to now is 57.1 secs Computing kpt #: 107 total cpu time spent up to now is 57.7 secs Computing kpt #: 108 total cpu time spent up to now is 58.3 secs Computing kpt #: 109 total cpu time spent up to now is 58.9 secs Computing kpt #: 110 total cpu time spent up to now is 59.6 secs Computing kpt #: 111 total cpu time spent up to now is 60.2 secs Computing kpt #: 112 total cpu time spent up to now is 60.9 secs Computing kpt #: 113 total cpu time spent up to now is 61.7 secs Computing kpt #: 114 total cpu time spent up to now is 62.3 secs Computing kpt #: 115 total cpu time spent up to now is 63.0 secs Computing kpt #: 116 total cpu time spent up to now is 63.6 secs Computing kpt #: 117 total cpu time spent up to now is 64.2 secs Computing kpt #: 118 total cpu time spent up to now is 64.7 secs Computing kpt #: 119 total cpu time spent up to now is 65.3 secs Computing kpt #: 120 total cpu time spent up to now is 65.8 secs Computing kpt #: 121 total cpu time spent up to now is 66.3 secs Computing kpt #: 122 total cpu time spent up to now is 66.9 secs Computing kpt #: 123 total cpu time spent up to now is 67.4 secs Computing kpt #: 124 total cpu time spent up to now is 67.9 secs Computing kpt #: 125 total cpu time spent up to now is 68.4 secs Computing kpt #: 126 total cpu time spent up to now is 68.9 secs Computing kpt #: 127 total cpu time spent up to now is 69.4 secs Computing kpt #: 128 total cpu time spent up to now is 69.9 secs Computing kpt #: 129 total cpu time spent up to now is 70.4 secs Computing kpt #: 130 total cpu time spent up to now is 70.9 secs Computing kpt #: 131 total cpu time spent up to now is 71.4 secs Computing kpt #: 132 total cpu time spent up to now is 71.9 secs Computing kpt #: 133 total cpu time spent up to now is 72.4 secs Computing kpt #: 134 total cpu time spent up to now is 72.8 secs Computing kpt #: 135 total cpu time spent up to now is 73.3 secs Computing kpt #: 136 total cpu time spent up to now is 73.8 secs Computing kpt #: 137 total cpu time spent up to now is 74.3 secs Computing kpt #: 138 total cpu time spent up to now is 74.8 secs Computing kpt #: 139 total cpu time spent up to now is 75.3 secs Computing kpt #: 140 total cpu time spent up to now is 75.8 secs Computing kpt #: 141 total cpu time spent up to now is 76.3 secs Computing kpt #: 142 total cpu time spent up to now is 76.8 secs Computing kpt #: 143 total cpu time spent up to now is 77.3 secs Computing kpt #: 144 total cpu time spent up to now is 77.9 secs Computing kpt #: 145 total cpu time spent up to now is 78.5 secs Computing kpt #: 146 total cpu time spent up to now is 79.0 secs Computing kpt #: 147 total cpu time spent up to now is 79.5 secs Computing kpt #: 148 total cpu time spent up to now is 80.0 secs Computing kpt #: 149 total cpu time spent up to now is 80.5 secs Computing kpt #: 150 total cpu time spent up to now is 81.0 secs Computing kpt #: 151 total cpu time spent up to now is 81.5 secs Computing kpt #: 152 total cpu time spent up to now is 82.0 secs Computing kpt #: 153 total cpu time spent up to now is 82.5 secs Computing kpt #: 154 total cpu time spent up to now is 83.0 secs Computing kpt #: 155 total cpu time spent up to now is 83.5 secs Computing kpt #: 156 total cpu time spent up to now is 84.0 secs Computing kpt #: 157 total cpu time spent up to now is 84.5 secs Computing kpt #: 158 total cpu time spent up to now is 85.0 secs Computing kpt #: 159 total cpu time spent up to now is 85.5 secs Computing kpt #: 160 total cpu time spent up to now is 86.0 secs Computing kpt #: 161 total cpu time spent up to now is 86.5 secs Computing kpt #: 162 total cpu time spent up to now is 87.0 secs Computing kpt #: 163 total cpu time spent up to now is 87.5 secs Computing kpt #: 164 total cpu time spent up to now is 88.0 secs Computing kpt #: 165 total cpu time spent up to now is 88.5 secs Computing kpt #: 166 total cpu time spent up to now is 89.0 secs Computing kpt #: 167 total cpu time spent up to now is 89.4 secs Computing kpt #: 168 total cpu time spent up to now is 89.9 secs Computing kpt #: 169 total cpu time spent up to now is 90.4 secs Computing kpt #: 170 total cpu time spent up to now is 90.9 secs Computing kpt #: 171 total cpu time spent up to now is 91.4 secs Computing kpt #: 172 total cpu time spent up to now is 91.9 secs Computing kpt #: 173 total cpu time spent up to now is 92.4 secs Computing kpt #: 174 total cpu time spent up to now is 92.9 secs Computing kpt #: 175 total cpu time spent up to now is 93.4 secs Computing kpt #: 176 total cpu time spent up to now is 93.9 secs Computing kpt #: 177 total cpu time spent up to now is 94.3 secs Computing kpt #: 178 total cpu time spent up to now is 94.8 secs Computing kpt #: 179 total cpu time spent up to now is 95.3 secs Computing kpt #: 180 total cpu time spent up to now is 95.8 secs Computing kpt #: 181 total cpu time spent up to now is 96.2 secs Computing kpt #: 182 total cpu time spent up to now is 96.7 secs Computing kpt #: 183 total cpu time spent up to now is 97.2 secs Computing kpt #: 184 total cpu time spent up to now is 97.6 secs Computing kpt #: 185 total cpu time spent up to now is 98.1 secs Computing kpt #: 186 total cpu time spent up to now is 98.6 secs Computing kpt #: 187 total cpu time spent up to now is 99.1 secs Computing kpt #: 188 total cpu time spent up to now is 99.5 secs Computing kpt #: 189 total cpu time spent up to now is 100.0 secs Computing kpt #: 190 total cpu time spent up to now is 100.5 secs Computing kpt #: 191 total cpu time spent up to now is 101.0 secs Computing kpt #: 192 total cpu time spent up to now is 101.5 secs Computing kpt #: 193 total cpu time spent up to now is 101.9 secs Computing kpt #: 194 total cpu time spent up to now is 102.4 secs Computing kpt #: 195 total cpu time spent up to now is 102.8 secs Computing kpt #: 196 total cpu time spent up to now is 103.3 secs Computing kpt #: 197 total cpu time spent up to now is 103.8 secs Computing kpt #: 198 total cpu time spent up to now is 104.4 secs Computing kpt #: 199 total cpu time spent up to now is 105.0 secs Computing kpt #: 200 total cpu time spent up to now is 105.6 secs Computing kpt #: 201 total cpu time spent up to now is 106.2 secs Computing kpt #: 202 total cpu time spent up to now is 106.8 secs Computing kpt #: 203 total cpu time spent up to now is 107.4 secs Computing kpt #: 204 total cpu time spent up to now is 108.0 secs Computing kpt #: 205 total cpu time spent up to now is 108.6 secs Computing kpt #: 206 total cpu time spent up to now is 109.2 secs Computing kpt #: 207 total cpu time spent up to now is 111.2 secs Computing kpt #: 208 total cpu time spent up to now is 111.8 secs Computing kpt #: 209 total cpu time spent up to now is 112.4 secs Computing kpt #: 210 total cpu time spent up to now is 113.0 secs Computing kpt #: 211 total cpu time spent up to now is 113.6 secs Computing kpt #: 212 total cpu time spent up to now is 114.2 secs Computing kpt #: 213 total cpu time spent up to now is 114.8 secs Computing kpt #: 214 total cpu time spent up to now is 115.4 secs Computing kpt #: 215 total cpu time spent up to now is 116.0 secs Computing kpt #: 216 total cpu time spent up to now is 116.6 secs Computing kpt #: 217 total cpu time spent up to now is 117.3 secs Computing kpt #: 218 total cpu time spent up to now is 117.9 secs Computing kpt #: 219 total cpu time spent up to now is 118.5 secs Computing kpt #: 220 total cpu time spent up to now is 119.1 secs Computing kpt #: 221 total cpu time spent up to now is 119.7 secs Computing kpt #: 222 total cpu time spent up to now is 120.3 secs Computing kpt #: 223 total cpu time spent up to now is 120.9 secs Computing kpt #: 224 total cpu time spent up to now is 121.5 secs Computing kpt #: 225 total cpu time spent up to now is 122.1 secs Computing kpt #: 226 total cpu time spent up to now is 122.7 secs Computing kpt #: 227 total cpu time spent up to now is 123.3 secs Computing kpt #: 228 total cpu time spent up to now is 124.0 secs Computing kpt #: 229 total cpu time spent up to now is 124.6 secs Computing kpt #: 230 total cpu time spent up to now is 125.2 secs Computing kpt #: 231 total cpu time spent up to now is 125.8 secs Computing kpt #: 232 total cpu time spent up to now is 126.4 secs Computing kpt #: 233 total cpu time spent up to now is 127.0 secs Computing kpt #: 234 total cpu time spent up to now is 127.6 secs Computing kpt #: 235 total cpu time spent up to now is 128.2 secs Computing kpt #: 236 total cpu time spent up to now is 128.8 secs Computing kpt #: 237 total cpu time spent up to now is 129.4 secs Computing kpt #: 238 total cpu time spent up to now is 130.1 secs Computing kpt #: 239 total cpu time spent up to now is 130.7 secs Computing kpt #: 240 total cpu time spent up to now is 131.3 secs Computing kpt #: 241 total cpu time spent up to now is 131.9 secs Computing kpt #: 242 total cpu time spent up to now is 132.5 secs Computing kpt #: 243 total cpu time spent up to now is 133.1 secs Computing kpt #: 244 total cpu time spent up to now is 133.7 secs Computing kpt #: 245 total cpu time spent up to now is 134.3 secs Computing kpt #: 246 total cpu time spent up to now is 134.9 secs Computing kpt #: 247 total cpu time spent up to now is 135.5 secs Computing kpt #: 248 total cpu time spent up to now is 136.1 secs Computing kpt #: 249 total cpu time spent up to now is 136.7 secs Computing kpt #: 250 total cpu time spent up to now is 137.3 secs Computing kpt #: 251 total cpu time spent up to now is 137.9 secs Computing kpt #: 252 total cpu time spent up to now is 138.6 secs Computing kpt #: 253 total cpu time spent up to now is 139.2 secs Computing kpt #: 254 total cpu time spent up to now is 139.8 secs Computing kpt #: 255 total cpu time spent up to now is 140.4 secs Computing kpt #: 256 total cpu time spent up to now is 141.0 secs Computing kpt #: 257 total cpu time spent up to now is 141.6 secs Computing kpt #: 258 total cpu time spent up to now is 142.2 secs Computing kpt #: 259 total cpu time spent up to now is 142.8 secs Computing kpt #: 260 total cpu time spent up to now is 143.4 secs Computing kpt #: 261 total cpu time spent up to now is 144.0 secs Computing kpt #: 262 total cpu time spent up to now is 144.7 secs Computing kpt #: 263 total cpu time spent up to now is 145.3 secs Computing kpt #: 264 total cpu time spent up to now is 145.9 secs Computing kpt #: 265 total cpu time spent up to now is 146.5 secs Computing kpt #: 266 total cpu time spent up to now is 147.0 secs Computing kpt #: 267 total cpu time spent up to now is 147.5 secs Computing kpt #: 268 total cpu time spent up to now is 148.1 secs Computing kpt #: 269 total cpu time spent up to now is 148.6 secs Computing kpt #: 270 total cpu time spent up to now is 149.1 secs Computing kpt #: 271 total cpu time spent up to now is 149.6 secs Computing kpt #: 272 total cpu time spent up to now is 150.1 secs Computing kpt #: 273 total cpu time spent up to now is 150.6 secs Computing kpt #: 274 total cpu time spent up to now is 151.1 secs Computing kpt #: 275 total cpu time spent up to now is 151.6 secs Computing kpt #: 276 total cpu time spent up to now is 152.1 secs Computing kpt #: 277 total cpu time spent up to now is 152.7 secs Computing kpt #: 278 total cpu time spent up to now is 153.2 secs Computing kpt #: 279 total cpu time spent up to now is 153.7 secs Computing kpt #: 280 total cpu time spent up to now is 154.2 secs Computing kpt #: 281 total cpu time spent up to now is 154.7 secs Computing kpt #: 282 total cpu time spent up to now is 155.2 secs Computing kpt #: 283 total cpu time spent up to now is 155.7 secs Computing kpt #: 284 total cpu time spent up to now is 156.2 secs Computing kpt #: 285 total cpu time spent up to now is 156.7 secs Computing kpt #: 286 total cpu time spent up to now is 157.2 secs Computing kpt #: 287 total cpu time spent up to now is 157.7 secs Computing kpt #: 288 total cpu time spent up to now is 158.2 secs Computing kpt #: 289 total cpu time spent up to now is 158.8 secs Computing kpt #: 290 total cpu time spent up to now is 159.3 secs Computing kpt #: 291 total cpu time spent up to now is 159.9 secs Computing kpt #: 292 total cpu time spent up to now is 160.5 secs Computing kpt #: 293 total cpu time spent up to now is 161.0 secs Computing kpt #: 294 total cpu time spent up to now is 161.6 secs Computing kpt #: 295 total cpu time spent up to now is 162.1 secs Computing kpt #: 296 total cpu time spent up to now is 162.5 secs Computing kpt #: 297 total cpu time spent up to now is 163.0 secs Computing kpt #: 298 total cpu time spent up to now is 163.5 secs Computing kpt #: 299 total cpu time spent up to now is 164.0 secs Computing kpt #: 300 total cpu time spent up to now is 164.4 secs Computing kpt #: 301 total cpu time spent up to now is 164.9 secs Computing kpt #: 302 total cpu time spent up to now is 165.4 secs Computing kpt #: 303 total cpu time spent up to now is 165.9 secs Computing kpt #: 304 total cpu time spent up to now is 166.4 secs Computing kpt #: 305 total cpu time spent up to now is 166.8 secs Computing kpt #: 306 total cpu time spent up to now is 167.3 secs Computing kpt #: 307 total cpu time spent up to now is 167.8 secs Computing kpt #: 308 total cpu time spent up to now is 168.3 secs Computing kpt #: 309 total cpu time spent up to now is 168.8 secs Computing kpt #: 310 total cpu time spent up to now is 169.2 secs Computing kpt #: 311 total cpu time spent up to now is 169.6 secs Computing kpt #: 312 total cpu time spent up to now is 170.1 secs Computing kpt #: 313 total cpu time spent up to now is 170.6 secs Computing kpt #: 314 total cpu time spent up to now is 171.0 secs Computing kpt #: 315 total cpu time spent up to now is 171.5 secs Computing kpt #: 316 total cpu time spent up to now is 171.9 secs Computing kpt #: 317 total cpu time spent up to now is 172.4 secs Computing kpt #: 318 total cpu time spent up to now is 172.9 secs Computing kpt #: 319 total cpu time spent up to now is 173.3 secs Computing kpt #: 320 total cpu time spent up to now is 173.8 secs Computing kpt #: 321 total cpu time spent up to now is 174.3 secs Computing kpt #: 322 total cpu time spent up to now is 174.7 secs Computing kpt #: 323 total cpu time spent up to now is 175.2 secs Computing kpt #: 324 total cpu time spent up to now is 175.7 secs Computing kpt #: 325 total cpu time spent up to now is 176.2 secs Computing kpt #: 326 total cpu time spent up to now is 176.7 secs Computing kpt #: 327 total cpu time spent up to now is 177.1 secs Computing kpt #: 328 total cpu time spent up to now is 177.6 secs Computing kpt #: 329 total cpu time spent up to now is 178.1 secs Computing kpt #: 330 total cpu time spent up to now is 178.7 secs Computing kpt #: 331 total cpu time spent up to now is 179.2 secs Computing kpt #: 332 total cpu time spent up to now is 179.8 secs ethr = 3.33E-08, avg # of iterations = 19.3 total cpu time spent up to now is 179.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 10889 PWs) bands (ev): -18.5843 -18.5843 -15.9831 -15.9831 -13.0827 -13.0827 -10.9704 -10.9704 -4.7899 -4.7899 -3.4791 -3.4791 -3.2961 -3.2961 -2.0748 -2.0748 -0.5348 -0.5348 -0.0389 -0.0389 0.2754 0.2754 0.4932 0.4932 0.6738 0.6738 1.5488 1.5488 1.9019 1.9019 4.5976 4.5976 6.7283 6.7283 7.5364 7.5364 8.9735 8.9735 k = 0.0000 0.0132-0.0000 ( 10869 PWs) bands (ev): -18.5842 -18.5842 -15.9832 -15.9832 -13.0826 -13.0826 -10.9703 -10.9703 -4.7899 -4.7899 -3.4791 -3.4791 -3.2962 -3.2962 -2.0745 -2.0745 -0.5351 -0.5351 -0.0400 -0.0400 0.2740 0.2740 0.4924 0.4924 0.6729 0.6729 1.5483 1.5483 1.9014 1.9014 4.5975 4.5975 6.7318 6.7318 7.5395 7.5395 8.9767 8.9767 k = 0.0000 0.0263-0.0000 ( 10871 PWs) bands (ev): -18.5838 -18.5838 -15.9835 -15.9835 -13.0823 -13.0823 -10.9699 -10.9699 -4.7901 -4.7901 -3.4790 -3.4790 -3.2965 -3.2965 -2.0734 -2.0734 -0.5358 -0.5358 -0.0434 -0.0434 0.2700 0.2700 0.4899 0.4899 0.6702 0.6702 1.5467 1.5467 1.8996 1.8996 4.5974 4.5974 6.7422 6.7422 7.5486 7.5486 8.9864 8.9864 k = 0.0000 0.0395-0.0000 ( 10883 PWs) bands (ev): -18.5831 -18.5831 -15.9841 -15.9841 -13.0818 -13.0818 -10.9692 -10.9692 -4.7902 -4.7902 -3.4790 -3.4790 -3.2969 -3.2969 -2.0717 -2.0717 -0.5370 -0.5370 -0.0491 -0.0491 0.2634 0.2634 0.4858 0.4858 0.6656 0.6656 1.5440 1.5440 1.8968 1.8968 4.5971 4.5971 6.7595 6.7595 7.5638 7.5638 9.0025 9.0025 k = 0.0000 0.0526-0.0000 ( 10869 PWs) bands (ev): -18.5822 -18.5822 -15.9848 -15.9848 -13.0811 -13.0811 -10.9683 -10.9683 -4.7905 -4.7905 -3.4789 -3.4789 -3.2974 -3.2974 -2.0693 -2.0693 -0.5388 -0.5388 -0.0571 -0.0571 0.2544 0.2544 0.4801 0.4801 0.6595 0.6595 1.5401 1.5401 1.8931 1.8931 4.5967 4.5967 6.7834 6.7834 7.5848 7.5848 9.0251 9.0251 k = 0.0000 0.0658-0.0000 ( 10853 PWs) bands (ev): -18.5810 -18.5810 -15.9857 -15.9857 -13.0802 -13.0802 -10.9672 -10.9672 -4.7909 -4.7909 -3.4790 -3.4790 -3.2978 -3.2978 -2.0663 -2.0663 -0.5410 -0.5410 -0.0677 -0.0677 0.2432 0.2432 0.4728 0.4728 0.6518 0.6518 1.5349 1.5349 1.8886 1.8886 4.5962 4.5962 6.8137 6.8137 7.6115 7.6115 9.0541 9.0541 k = 0.0000 0.0789-0.0000 ( 10857 PWs) bands (ev): -18.5796 -18.5796 -15.9868 -15.9868 -13.0791 -13.0791 -10.9657 -10.9657 -4.7914 -4.7914 -3.4794 -3.4794 -3.2981 -3.2981 -2.0626 -2.0626 -0.5437 -0.5437 -0.0810 -0.0810 0.2300 0.2300 0.4640 0.4640 0.6429 0.6429 1.5284 1.5284 1.8835 1.8835 4.5955 4.5955 6.8502 6.8502 7.6436 7.6436 9.0895 9.0895 k = 0.0000 0.0921-0.0000 ( 10869 PWs) bands (ev): -18.5780 -18.5780 -15.9881 -15.9881 -13.0778 -13.0778 -10.9641 -10.9641 -4.7920 -4.7920 -3.4801 -3.4801 -3.2979 -3.2979 -2.0583 -2.0583 -0.5469 -0.5469 -0.0970 -0.0970 0.2152 0.2152 0.4537 0.4537 0.6328 0.6328 1.5205 1.5205 1.8780 1.8780 4.5948 4.5948 6.8925 6.8925 7.6807 7.6807 9.1312 9.1312 k = 0.0000 0.1053-0.0000 ( 10873 PWs) bands (ev): -18.5761 -18.5761 -15.9896 -15.9896 -13.0763 -13.0763 -10.9622 -10.9622 -4.7926 -4.7926 -3.4812 -3.4812 -3.2973 -3.2973 -2.0535 -2.0535 -0.5505 -0.5505 -0.1158 -0.1158 0.1990 0.1990 0.4421 0.4421 0.6220 0.6220 1.5110 1.5110 1.8724 1.8724 4.5940 4.5940 6.9403 6.9403 7.7224 7.7224 9.1792 9.1792 k = 0.0000 0.1184-0.0000 ( 10869 PWs) bands (ev): -18.5740 -18.5740 -15.9912 -15.9912 -13.0747 -13.0747 -10.9602 -10.9602 -4.7935 -4.7935 -3.4830 -3.4830 -3.2960 -3.2960 -2.0481 -2.0481 -0.5546 -0.5546 -0.1374 -0.1374 0.1817 0.1817 0.4290 0.4290 0.6106 0.6106 1.4999 1.4999 1.8669 1.8669 4.5931 4.5931 6.9932 6.9932 7.7684 7.7684 9.2334 9.2334 k = 0.0000 0.1316-0.0000 ( 10873 PWs) bands (ev): -18.5717 -18.5717 -15.9930 -15.9930 -13.0730 -13.0730 -10.9579 -10.9579 -4.7944 -4.7944 -3.4854 -3.4854 -3.2938 -3.2938 -2.0422 -2.0422 -0.5591 -0.5591 -0.1619 -0.1619 0.1634 0.1634 0.4147 0.4147 0.5989 0.5989 1.4872 1.4872 1.8617 1.8617 4.5921 4.5921 7.0508 7.0508 7.8182 7.8182 9.2935 9.2935 k = 0.0000 0.1447-0.0000 ( 10869 PWs) bands (ev): -18.5693 -18.5693 -15.9949 -15.9949 -13.0710 -13.0710 -10.9554 -10.9554 -4.7955 -4.7955 -3.4885 -3.4885 -3.2907 -3.2907 -2.0359 -2.0359 -0.5640 -0.5640 -0.1890 -0.1890 0.1443 0.1443 0.3991 0.3991 0.5872 0.5872 1.4729 1.4729 1.8569 1.8569 4.5910 4.5910 7.1127 7.1127 7.8712 7.8712 9.3595 9.3595 k = 0.0000 0.1579-0.0000 ( 10861 PWs) bands (ev): -18.5666 -18.5666 -15.9970 -15.9970 -13.0690 -13.0690 -10.9528 -10.9528 -4.7967 -4.7967 -3.4923 -3.4923 -3.2866 -3.2866 -2.0291 -2.0291 -0.5694 -0.5694 -0.2186 -0.2186 0.1245 0.1245 0.3822 0.3822 0.5758 0.5758 1.4570 1.4570 1.8527 1.8527 4.5898 4.5898 7.1784 7.1784 7.9269 7.9269 9.4310 9.4310 k = 0.0000 0.1711-0.0000 ( 10853 PWs) bands (ev): -18.5638 -18.5638 -15.9992 -15.9992 -13.0668 -13.0668 -10.9500 -10.9500 -4.7981 -4.7981 -3.4968 -3.4968 -3.2815 -3.2815 -2.0220 -2.0220 -0.5752 -0.5752 -0.2503 -0.2503 0.1041 0.1041 0.3643 0.3643 0.5649 0.5649 1.4396 1.4396 1.8492 1.8492 4.5885 4.5885 7.2476 7.2476 7.9847 7.9847 9.5076 9.5076 k = 0.0000 0.1842-0.0000 ( 10849 PWs) bands (ev): -18.5609 -18.5609 -16.0015 -16.0015 -13.0646 -13.0646 -10.9471 -10.9471 -4.7996 -4.7996 -3.5020 -3.5020 -3.2754 -3.2754 -2.0146 -2.0146 -0.5815 -0.5815 -0.2838 -0.2838 0.0830 0.0830 0.3453 0.3453 0.5548 0.5548 1.4208 1.4208 1.8465 1.8465 4.5871 4.5871 7.3198 7.3198 8.0439 8.0439 9.5756 9.5756 k = 0.0000 0.1974-0.0000 ( 10853 PWs) bands (ev): -18.5579 -18.5579 -16.0039 -16.0039 -13.0622 -13.0622 -10.9441 -10.9441 -4.8013 -4.8013 -3.5078 -3.5078 -3.2683 -3.2683 -2.0069 -2.0069 -0.5883 -0.5883 -0.3187 -0.3187 0.0613 0.0613 0.3254 0.3254 0.5455 0.5455 1.4008 1.4008 1.8444 1.8444 4.5857 4.5857 7.3948 7.3948 8.1040 8.1040 9.5253 9.5253 k = 0.0000 0.2105-0.0000 ( 10859 PWs) bands (ev): -18.5547 -18.5547 -16.0064 -16.0064 -13.0598 -13.0598 -10.9410 -10.9410 -4.8032 -4.8032 -3.5141 -3.5141 -3.2604 -3.2604 -1.9989 -1.9989 -0.5956 -0.5956 -0.3545 -0.3545 0.0391 0.0391 0.3047 0.3047 0.5371 0.5371 1.3799 1.3799 1.8431 1.8431 4.5842 4.5842 7.4721 7.4721 8.1643 8.1643 9.4697 9.4697 k = 0.0000 0.2237-0.0000 ( 10867 PWs) bands (ev): -18.5515 -18.5515 -16.0090 -16.0090 -13.0573 -13.0573 -10.9378 -10.9378 -4.8052 -4.8052 -3.5207 -3.5207 -3.2516 -3.2516 -1.9907 -1.9907 -0.6037 -0.6037 -0.3907 -0.3907 0.0164 0.0164 0.2835 0.2835 0.5297 0.5297 1.3582 1.3582 1.8424 1.8424 4.5827 4.5827 7.5515 7.5515 8.2241 8.2241 9.4148 9.4148 k = 0.0000 0.2368-0.0000 ( 10882 PWs) bands (ev): -18.5482 -18.5482 -16.0116 -16.0116 -13.0548 -13.0548 -10.9346 -10.9346 -4.8073 -4.8073 -3.5275 -3.5275 -3.2421 -3.2421 -1.9824 -1.9824 -0.6128 -0.6128 -0.4265 -0.4265 -0.0068 -0.0068 0.2618 0.2618 0.5232 0.5232 1.3358 1.3358 1.8424 1.8424 4.5811 4.5811 7.6326 7.6326 8.2827 8.2827 9.3613 9.3613 k = 0.0000 0.2500-0.0000 ( 10882 PWs) bands (ev): -18.5449 -18.5449 -16.0142 -16.0142 -13.0523 -13.0523 -10.9314 -10.9314 -4.8096 -4.8096 -3.5346 -3.5346 -3.2320 -3.2320 -1.9740 -1.9740 -0.6231 -0.6231 -0.4614 -0.4614 -0.0303 -0.0303 0.2399 0.2399 0.5178 0.5178 1.3132 1.3132 1.8429 1.8429 4.5794 4.5794 7.7152 7.7152 8.3397 8.3397 9.3095 9.3095 k = 0.0000 0.2632-0.0000 ( 10884 PWs) bands (ev): -18.5416 -18.5416 -16.0168 -16.0168 -13.0498 -13.0498 -10.9281 -10.9281 -4.8120 -4.8120 -3.5416 -3.5416 -3.2215 -3.2215 -1.9656 -1.9656 -0.6353 -0.6353 -0.4942 -0.4942 -0.0541 -0.0541 0.2180 0.2180 0.5132 0.5132 1.2904 1.2904 1.8438 1.8438 4.5778 4.5778 7.7991 7.7991 8.3944 8.3944 9.2596 9.2596 k = 0.0000 0.2763-0.0000 ( 10876 PWs) bands (ev): -18.5383 -18.5383 -16.0194 -16.0194 -13.0472 -13.0472 -10.9249 -10.9249 -4.8145 -4.8145 -3.5487 -3.5487 -3.2105 -3.2105 -1.9571 -1.9571 -0.6503 -0.6503 -0.5240 -0.5240 -0.0780 -0.0780 0.1962 0.1962 0.5094 0.5094 1.2677 1.2677 1.8452 1.8452 4.5760 4.5760 7.8840 7.8840 8.4462 8.4462 9.2119 9.2119 k = 0.0000 0.2895-0.0000 ( 10884 PWs) bands (ev): -18.5351 -18.5351 -16.0220 -16.0220 -13.0447 -13.0447 -10.9216 -10.9216 -4.8171 -4.8171 -3.5556 -3.5556 -3.1994 -3.1994 -1.9487 -1.9487 -0.6687 -0.6687 -0.5494 -0.5494 -0.1019 -0.1019 0.1748 0.1748 0.5063 0.5063 1.2453 1.2453 1.8468 1.8468 4.5743 4.5743 7.9697 7.9697 8.4949 8.4949 9.1665 9.1665 k = 0.0000 0.3026-0.0000 ( 10888 PWs) bands (ev): -18.5319 -18.5319 -16.0246 -16.0246 -13.0423 -13.0423 -10.9185 -10.9185 -4.8197 -4.8197 -3.5623 -3.5623 -3.1881 -3.1881 -1.9404 -1.9404 -0.6908 -0.6908 -0.5701 -0.5701 -0.1256 -0.1256 0.1538 0.1538 0.5040 0.5040 1.2233 1.2233 1.8488 1.8488 4.5726 4.5726 8.0560 8.0560 8.5402 8.5402 9.1236 9.1236 k = 0.0000 0.3158-0.0000 ( 10890 PWs) bands (ev): -18.5288 -18.5288 -16.0271 -16.0271 -13.0399 -13.0399 -10.9154 -10.9154 -4.8224 -4.8224 -3.5688 -3.5688 -3.1768 -3.1768 -1.9322 -1.9322 -0.7161 -0.7161 -0.5863 -0.5863 -0.1489 -0.1489 0.1335 0.1335 0.5021 0.5021 1.2020 1.2020 1.8509 1.8509 4.5709 4.5709 8.1428 8.1428 8.5818 8.5818 9.0831 9.0831 k = 0.0000 0.3289-0.0000 ( 10892 PWs) bands (ev): -18.5258 -18.5258 -16.0295 -16.0295 -13.0376 -13.0376 -10.9125 -10.9125 -4.8250 -4.8250 -3.5750 -3.5750 -3.1656 -3.1656 -1.9242 -1.9242 -0.7432 -0.7432 -0.5990 -0.5990 -0.1717 -0.1717 0.1140 0.1140 0.5008 0.5008 1.1815 1.1815 1.8531 1.8531 4.5692 4.5692 8.2297 8.2297 8.6197 8.6197 9.0453 9.0453 k = 0.0000 0.3421-0.0000 ( 10892 PWs) bands (ev): -18.5229 -18.5229 -16.0318 -16.0318 -13.0354 -13.0354 -10.9096 -10.9096 -4.8277 -4.8277 -3.5808 -3.5808 -3.1546 -3.1546 -1.9165 -1.9165 -0.7710 -0.7710 -0.6092 -0.6092 -0.1937 -0.1937 0.0954 0.0954 0.4999 0.4999 1.1619 1.1619 1.8554 1.8554 4.5676 4.5676 8.3164 8.3164 8.6542 8.6542 9.0102 9.0102 k = 0.0000 0.3553-0.0000 ( 10878 PWs) bands (ev): -18.5201 -18.5201 -16.0340 -16.0340 -13.0334 -13.0334 -10.9070 -10.9070 -4.8302 -4.8302 -3.5863 -3.5863 -3.1440 -3.1440 -1.9090 -1.9090 -0.7984 -0.7984 -0.6176 -0.6176 -0.2148 -0.2148 0.0779 0.0779 0.4993 0.4993 1.1435 1.1435 1.8577 1.8577 4.5660 4.5660 8.4023 8.4023 8.6859 8.6859 8.9778 8.9778 k = 0.0000 0.3684-0.0000 ( 10894 PWs) bands (ev): -18.5175 -18.5175 -16.0361 -16.0361 -13.0314 -13.0314 -10.9044 -10.9044 -4.8327 -4.8327 -3.5913 -3.5913 -3.1338 -3.1338 -1.9020 -1.9020 -0.8248 -0.8248 -0.6247 -0.6247 -0.2349 -0.2349 0.0615 0.0615 0.4990 0.4990 1.1262 1.1262 1.8599 1.8599 4.5645 4.5645 8.4864 8.4864 8.7158 8.7158 8.9481 8.9481 k = 0.0000 0.3816-0.0000 ( 10890 PWs) bands (ev): -18.5151 -18.5151 -16.0380 -16.0380 -13.0296 -13.0296 -10.9021 -10.9021 -4.8351 -4.8351 -3.5959 -3.5959 -3.1242 -3.1242 -1.8954 -1.8954 -0.8496 -0.8496 -0.6308 -0.6308 -0.2536 -0.2536 0.0464 0.0464 0.4989 0.4989 1.1102 1.1102 1.8621 1.8621 4.5631 4.5631 8.5662 8.5662 8.7464 8.7464 8.9213 8.9213 k = 0.0000 0.3947-0.0000 ( 10902 PWs) bands (ev): -18.5130 -18.5130 -16.0397 -16.0397 -13.0279 -13.0279 -10.8999 -10.8999 -4.8373 -4.8373 -3.6001 -3.6001 -3.1152 -3.1152 -1.8892 -1.8892 -0.8726 -0.8726 -0.6361 -0.6361 -0.2709 -0.2709 0.0327 0.0327 0.4990 0.4990 1.0957 1.0957 1.8642 1.8642 4.5618 4.5618 8.6363 8.6363 8.7833 8.7833 8.8973 8.8973 k = 0.0000 0.4079-0.0000 ( 10902 PWs) bands (ev): -18.5110 -18.5110 -16.0413 -16.0413 -13.0265 -13.0265 -10.8980 -10.8980 -4.8393 -4.8393 -3.6037 -3.6037 -3.1071 -3.1071 -1.8836 -1.8836 -0.8934 -0.8934 -0.6406 -0.6406 -0.2866 -0.2866 0.0204 0.0204 0.4991 0.4991 1.0827 1.0827 1.8661 1.8661 4.5606 4.5606 8.6885 8.6885 8.8347 8.8347 8.8763 8.8763 k = 0.0000 0.4211-0.0000 ( 10900 PWs) bands (ev): -18.5092 -18.5092 -16.0427 -16.0427 -13.0251 -13.0251 -10.8963 -10.8963 -4.8412 -4.8412 -3.6070 -3.6070 -3.0998 -3.0998 -1.8786 -1.8786 -0.9119 -0.9119 -0.6444 -0.6444 -0.3005 -0.3005 0.0096 0.0096 0.4994 0.4994 1.0712 1.0712 1.8678 1.8678 4.5595 4.5595 8.7211 8.7211 8.8571 8.8571 8.9036 8.9036 k = 0.0000 0.4342-0.0000 ( 10896 PWs) bands (ev): -18.5077 -18.5077 -16.0439 -16.0439 -13.0240 -13.0240 -10.8949 -10.8949 -4.8427 -4.8427 -3.6097 -3.6097 -3.0935 -3.0935 -1.8743 -1.8743 -0.9277 -0.9277 -0.6476 -0.6476 -0.3125 -0.3125 0.0003 0.0003 0.4996 0.4996 1.0615 1.0615 1.8693 1.8693 4.5586 4.5586 8.7409 8.7409 8.8418 8.8418 8.9810 8.9810 k = 0.0000 0.4474-0.0000 ( 10890 PWs) bands (ev): -18.5065 -18.5065 -16.0449 -16.0449 -13.0231 -13.0231 -10.8936 -10.8936 -4.8441 -4.8441 -3.6119 -3.6119 -3.0882 -3.0882 -1.8706 -1.8706 -0.9409 -0.9409 -0.6502 -0.6502 -0.3225 -0.3225 -0.0073 -0.0073 0.4999 0.4999 1.0534 1.0534 1.8706 1.8706 4.5578 4.5578 8.7537 8.7537 8.8291 8.8291 9.0622 9.0622 k = 0.0000 0.4605-0.0000 ( 10904 PWs) bands (ev): -18.5055 -18.5055 -16.0457 -16.0457 -13.0223 -13.0223 -10.8927 -10.8927 -4.8451 -4.8451 -3.6137 -3.6137 -3.0840 -3.0840 -1.8678 -1.8678 -0.9513 -0.9513 -0.6522 -0.6522 -0.3304 -0.3304 -0.0133 -0.0133 0.5001 0.5001 1.0470 1.0470 1.8716 1.8716 4.5572 4.5572 8.7622 8.7622 8.8192 8.8192 9.1435 9.1435 k = 0.0000 0.4737-0.0000 ( 10900 PWs) bands (ev): -18.5048 -18.5048 -16.0463 -16.0463 -13.0218 -13.0218 -10.8920 -10.8920 -4.8459 -4.8459 -3.6149 -3.6149 -3.0810 -3.0810 -1.8657 -1.8657 -0.9588 -0.9588 -0.6537 -0.6537 -0.3361 -0.3361 -0.0175 -0.0175 0.5003 0.5003 1.0425 1.0425 1.8723 1.8723 4.5568 4.5568 8.7677 8.7677 8.8122 8.8122 9.2213 9.2213 k = 0.0000 0.4868-0.0000 ( 10896 PWs) bands (ev): -18.5044 -18.5044 -16.0466 -16.0466 -13.0215 -13.0215 -10.8916 -10.8916 -4.8464 -4.8464 -3.6157 -3.6157 -3.0791 -3.0791 -1.8644 -1.8644 -0.9633 -0.9633 -0.6545 -0.6545 -0.3395 -0.3395 -0.0201 -0.0201 0.5004 0.5004 1.0397 1.0397 1.8727 1.8727 4.5565 4.5565 8.7708 8.7708 8.8079 8.8079 9.2878 9.2878 k = 0.0000 0.5000-0.0000 ( 10910 PWs) bands (ev): -18.5043 -18.5043 -16.0467 -16.0467 -13.0214 -13.0214 -10.8915 -10.8915 -4.8465 -4.8465 -3.6159 -3.6159 -3.0785 -3.0785 -1.8640 -1.8640 -0.9648 -0.9648 -0.6548 -0.6548 -0.3407 -0.3407 -0.0210 -0.0210 0.5004 0.5004 1.0388 1.0388 1.8729 1.8729 4.5564 4.5564 8.7718 8.7718 8.8065 8.8065 9.3188 9.3188 k = 0.0000 0.5000-0.0000 ( 10910 PWs) bands (ev): -18.5043 -18.5043 -16.0467 -16.0467 -13.0214 -13.0214 -10.8915 -10.8915 -4.8465 -4.8465 -3.6159 -3.6159 -3.0785 -3.0785 -1.8640 -1.8640 -0.9648 -0.9648 -0.6548 -0.6548 -0.3407 -0.3407 -0.0210 -0.0210 0.5004 0.5004 1.0388 1.0388 1.8729 1.8729 4.5564 4.5564 8.7718 8.7718 8.8065 8.8065 9.3188 9.3188 k = 0.0132 0.5000-0.0000 ( 10910 PWs) bands (ev): -18.5042 -18.5042 -16.0466 -16.0466 -13.0213 -13.0213 -10.8914 -10.8914 -4.8471 -4.8471 -3.6163 -3.6163 -3.0810 -3.0810 -1.8643 -1.8643 -0.9635 -0.9635 -0.6547 -0.6547 -0.3393 -0.3393 -0.0194 -0.0194 0.4991 0.4991 1.0386 1.0386 1.8711 1.8711 4.5567 4.5567 8.7742 8.7742 8.8080 8.8080 9.3239 9.3239 k = 0.0263 0.5000-0.0000 ( 10890 PWs) bands (ev): -18.5041 -18.5041 -16.0462 -16.0462 -13.0210 -13.0210 -10.8910 -10.8910 -4.8487 -4.8487 -3.6173 -3.6173 -3.0885 -3.0885 -1.8651 -1.8651 -0.9598 -0.9598 -0.6542 -0.6542 -0.3354 -0.3354 -0.0148 -0.0148 0.4953 0.4953 1.0380 1.0380 1.8660 1.8660 4.5574 4.5574 8.7815 8.7815 8.8123 8.8123 9.3390 9.3390 k = 0.0395 0.5000-0.0000 ( 10898 PWs) bands (ev): -18.5040 -18.5040 -16.0455 -16.0455 -13.0204 -13.0204 -10.8905 -10.8905 -4.8515 -4.8515 -3.6191 -3.6191 -3.1009 -3.1009 -1.8665 -1.8665 -0.9538 -0.9538 -0.6535 -0.6535 -0.3289 -0.3289 -0.0070 -0.0070 0.4890 0.4890 1.0370 1.0370 1.8575 1.8575 4.5587 4.5587 8.7935 8.7935 8.8194 8.8194 9.3642 9.3642 k = 0.0526 0.5000-0.0000 ( 10892 PWs) bands (ev): -18.5038 -18.5038 -16.0445 -16.0445 -13.0197 -13.0197 -10.8897 -10.8897 -4.8554 -4.8554 -3.6216 -3.6216 -3.1177 -3.1177 -1.8683 -1.8683 -0.9457 -0.9457 -0.6525 -0.6525 -0.3201 -0.3201 0.0037 0.0037 0.4804 0.4804 1.0355 1.0355 1.8457 1.8457 4.5604 4.5604 8.8095 8.8095 8.8292 8.8292 9.3989 9.3989 k = 0.0658 0.5000-0.0000 ( 10884 PWs) bands (ev): -18.5035 -18.5035 -16.0433 -16.0433 -13.0187 -13.0187 -10.8887 -10.8887 -4.8604 -4.8604 -3.6248 -3.6248 -3.1387 -3.1387 -1.8706 -1.8706 -0.9357 -0.9357 -0.6511 -0.6511 -0.3091 -0.3091 0.0174 0.0174 0.4697 0.4697 1.0337 1.0337 1.8308 1.8308 4.5625 4.5625 8.8290 8.8290 8.8413 8.8413 9.4400 9.4400 k = 0.0789 0.5000-0.0000 ( 10888 PWs) bands (ev): -18.5032 -18.5032 -16.0418 -16.0418 -13.0176 -13.0176 -10.8875 -10.8875 -4.8665 -4.8665 -3.6288 -3.6288 -3.1634 -3.1634 -1.8732 -1.8732 -0.9242 -0.9242 -0.6495 -0.6495 -0.2964 -0.2964 0.0338 0.0338 0.4572 0.4572 1.0314 1.0314 1.8130 1.8130 4.5651 4.5651 8.8506 8.8506 8.8557 8.8557 9.4390 9.4390 k = 0.0921 0.5000-0.0000 ( 10880 PWs) bands (ev): -18.5029 -18.5029 -16.0401 -16.0401 -13.0163 -13.0163 -10.8861 -10.8861 -4.8737 -4.8737 -3.6336 -3.6336 -3.1912 -3.1912 -1.8760 -1.8760 -0.9115 -0.9115 -0.6477 -0.6477 -0.2821 -0.2821 0.0530 0.0530 0.4434 0.4434 1.0287 1.0287 1.7923 1.7923 4.5681 4.5681 8.8713 8.8713 8.8734 8.8734 9.4162 9.4162 k = 0.1053 0.5000-0.0000 ( 10888 PWs) bands (ev): -18.5025 -18.5025 -16.0381 -16.0381 -13.0148 -13.0148 -10.8845 -10.8845 -4.8819 -4.8819 -3.6392 -3.6392 -3.2216 -3.2216 -1.8790 -1.8790 -0.8978 -0.8978 -0.6455 -0.6455 -0.2669 -0.2669 0.0746 0.0746 0.4286 0.4286 1.0256 1.0256 1.7692 1.7692 4.5715 4.5715 8.8893 8.8893 8.8929 8.8929 9.3952 9.3952 k = 0.1184 0.5000-0.0000 ( 10888 PWs) bands (ev): -18.5020 -18.5020 -16.0359 -16.0359 -13.0131 -13.0131 -10.8827 -10.8827 -4.8911 -4.8911 -3.6458 -3.6458 -3.2540 -3.2540 -1.8821 -1.8821 -0.8836 -0.8836 -0.6430 -0.6430 -0.2513 -0.2513 0.0986 0.0986 0.4134 0.4134 1.0221 1.0221 1.7438 1.7438 4.5753 4.5753 8.9062 8.9062 8.9084 8.9084 9.3810 9.3810 k = 0.1316 0.5000-0.0000 ( 10872 PWs) bands (ev): -18.5015 -18.5015 -16.0335 -16.0335 -13.0113 -13.0113 -10.8808 -10.8808 -4.9013 -4.9013 -3.6535 -3.6535 -3.2876 -3.2876 -1.8853 -1.8853 -0.8690 -0.8690 -0.6403 -0.6403 -0.2358 -0.2358 0.1247 0.1247 0.3985 0.3985 1.0182 1.0182 1.7163 1.7163 4.5793 4.5793 8.9088 8.9088 8.9281 8.9281 9.3786 9.3786 k = 0.1447 0.5000-0.0000 ( 10870 PWs) bands (ev): -18.5010 -18.5010 -16.0309 -16.0309 -13.0093 -13.0093 -10.8787 -10.8787 -4.9125 -4.9125 -3.6625 -3.6625 -3.3217 -3.3217 -1.8884 -1.8884 -0.8542 -0.8542 -0.6373 -0.6373 -0.2212 -0.2212 0.1526 0.1526 0.3845 0.3845 1.0138 1.0138 1.6871 1.6871 4.5836 4.5836 8.8972 8.8972 8.9482 8.9482 9.3919 9.3919 k = 0.1579 0.5000-0.0000 ( 10866 PWs) bands (ev): -18.5004 -18.5004 -16.0281 -16.0281 -13.0071 -13.0071 -10.8764 -10.8764 -4.9246 -4.9246 -3.6732 -3.6732 -3.3555 -3.3555 -1.8915 -1.8915 -0.8396 -0.8396 -0.6341 -0.6341 -0.2082 -0.2082 0.1820 0.1820 0.3723 0.3723 1.0090 1.0090 1.6564 1.6564 4.5882 4.5882 8.8708 8.8708 8.9685 8.9685 9.4217 9.4217 k = 0.1711 0.5000-0.0000 ( 10860 PWs) bands (ev): -18.4998 -18.4998 -16.0252 -16.0252 -13.0049 -13.0049 -10.8740 -10.8740 -4.9375 -4.9375 -3.6859 -3.6859 -3.3882 -3.3882 -1.8944 -1.8944 -0.8253 -0.8253 -0.6306 -0.6306 -0.1976 -0.1976 0.2128 0.2128 0.3626 0.3626 1.0038 1.0038 1.6246 1.6246 4.5930 4.5930 8.8318 8.8318 8.9884 8.9884 9.4662 9.4662 k = 0.1842 0.5000-0.0000 ( 10864 PWs) bands (ev): -18.4992 -18.4992 -16.0221 -16.0221 -13.0026 -13.0026 -10.8716 -10.8716 -4.9513 -4.9513 -3.7011 -3.7011 -3.4189 -3.4189 -1.8972 -1.8972 -0.8114 -0.8114 -0.6268 -0.6268 -0.1903 -0.1903 0.2446 0.2446 0.3563 0.3563 0.9981 0.9981 1.5919 1.5919 4.5980 4.5980 8.7834 8.7834 9.0078 9.0078 9.5224 9.5224 k = 0.1974 0.5000-0.0000 ( 10860 PWs) bands (ev): -18.4986 -18.4986 -16.0189 -16.0189 -13.0001 -13.0001 -10.8690 -10.8690 -4.9657 -4.9657 -3.7190 -3.7190 -3.4468 -3.4468 -1.8998 -1.8998 -0.7980 -0.7980 -0.6227 -0.6227 -0.1868 -0.1868 0.2771 0.2771 0.3541 0.3541 0.9921 0.9921 1.5586 1.5586 4.6031 4.6031 8.7286 8.7286 9.0263 9.0263 9.5876 9.5876 k = 0.2105 0.5000-0.0000 ( 10866 PWs) bands (ev): -18.4979 -18.4979 -16.0156 -16.0156 -12.9976 -12.9976 -10.8663 -10.8663 -4.9808 -4.9808 -3.7401 -3.7401 -3.4713 -3.4713 -1.9022 -1.9022 -0.7853 -0.7853 -0.6184 -0.6184 -0.1874 -0.1874 0.3100 0.3100 0.3563 0.3563 0.9855 0.9855 1.5250 1.5250 4.6083 4.6083 8.6696 8.6696 9.0436 9.0436 9.6594 9.6594 k = 0.2237 0.5000-0.0000 ( 10870 PWs) bands (ev): -18.4972 -18.4972 -16.0123 -16.0123 -12.9950 -12.9950 -10.8636 -10.8636 -4.9964 -4.9964 -3.7641 -3.7641 -3.4922 -3.4922 -1.9043 -1.9043 -0.7734 -0.7734 -0.6138 -0.6138 -0.1921 -0.1921 0.3425 0.3425 0.3636 0.3636 0.9786 0.9786 1.4915 1.4915 4.6136 4.6136 8.6080 8.6080 9.0597 9.0597 9.7352 9.7352 k = 0.2368 0.5000-0.0000 ( 10876 PWs) bands (ev): -18.4965 -18.4965 -16.0088 -16.0088 -12.9924 -12.9924 -10.8609 -10.8609 -5.0124 -5.0124 -3.7908 -3.7908 -3.5094 -3.5094 -1.9063 -1.9063 -0.7623 -0.7623 -0.6090 -0.6090 -0.2008 -0.2008 0.3691 0.3691 0.3810 0.3810 0.9712 0.9712 1.4582 1.4582 4.6190 4.6190 8.5451 8.5451 9.0742 9.0742 9.7281 9.7281 k = 0.2500 0.5000-0.0000 ( 10868 PWs) bands (ev): -18.4958 -18.4958 -16.0054 -16.0054 -12.9898 -12.9898 -10.8581 -10.8581 -5.0288 -5.0288 -3.8196 -3.8196 -3.5233 -3.5233 -1.9081 -1.9081 -0.7522 -0.7522 -0.6040 -0.6040 -0.2128 -0.2128 0.3856 0.3856 0.4118 0.4118 0.9633 0.9633 1.4255 1.4255 4.6243 4.6243 8.4818 8.4818 9.0872 9.0872 9.6700 9.6700 k = 0.2632 0.5000-0.0000 ( 10880 PWs) bands (ev): -18.4951 -18.4951 -16.0019 -16.0019 -12.9872 -12.9872 -10.8553 -10.8553 -5.0454 -5.0454 -3.8498 -3.8498 -3.5343 -3.5343 -1.9096 -1.9096 -0.7430 -0.7430 -0.5988 -0.5988 -0.2275 -0.2275 0.4032 0.4032 0.4442 0.4442 0.9550 0.9550 1.3936 1.3936 4.6296 4.6296 8.4190 8.4190 9.0985 9.0985 9.6142 9.6142 k = 0.2763 0.5000-0.0000 ( 10880 PWs) bands (ev): -18.4944 -18.4944 -15.9985 -15.9985 -12.9845 -12.9845 -10.8525 -10.8525 -5.0620 -5.0620 -3.8808 -3.8808 -3.5430 -3.5430 -1.9109 -1.9109 -0.7347 -0.7347 -0.5935 -0.5935 -0.2441 -0.2441 0.4228 0.4228 0.4762 0.4762 0.9463 0.9463 1.3627 1.3627 4.6349 4.6349 8.3571 8.3571 9.1082 9.1082 9.5612 9.5612 k = 0.2895 0.5000-0.0000 ( 10876 PWs) bands (ev): -18.4938 -18.4938 -15.9951 -15.9951 -12.9820 -12.9820 -10.8498 -10.8498 -5.0787 -5.0787 -3.9119 -3.9119 -3.5498 -3.5498 -1.9120 -1.9120 -0.7275 -0.7275 -0.5882 -0.5882 -0.2618 -0.2618 0.4439 0.4439 0.5074 0.5074 0.9372 0.9372 1.3332 1.3332 4.6401 4.6401 8.2968 8.2968 9.1163 9.1163 9.5112 9.5112 k = 0.3026 0.5000-0.0000 ( 10870 PWs) bands (ev): -18.4931 -18.4931 -15.9918 -15.9918 -12.9794 -12.9794 -10.8471 -10.8471 -5.0952 -5.0952 -3.9425 -3.9425 -3.5551 -3.5551 -1.9130 -1.9130 -0.7213 -0.7213 -0.5829 -0.5829 -0.2801 -0.2801 0.4659 0.4659 0.5378 0.5378 0.9277 0.9277 1.3051 1.3051 4.6451 4.6451 8.2384 8.2384 9.1229 9.1229 9.4644 9.4644 k = 0.3158 0.5000-0.0000 ( 10874 PWs) bands (ev): -18.4924 -18.4924 -15.9885 -15.9885 -12.9770 -12.9770 -10.8445 -10.8445 -5.1114 -5.1114 -3.9724 -3.9724 -3.5591 -3.5591 -1.9137 -1.9137 -0.7161 -0.7161 -0.5778 -0.5778 -0.2982 -0.2982 0.4882 0.4882 0.5671 0.5671 0.9178 0.9178 1.2787 1.2787 4.6500 4.6500 8.1824 8.1824 9.1279 9.1279 9.4207 9.4207 k = 0.3289 0.5000-0.0000 ( 10864 PWs) bands (ev): -18.4918 -18.4918 -15.9854 -15.9854 -12.9746 -12.9746 -10.8420 -10.8420 -5.1271 -5.1271 -4.0010 -4.0010 -3.5621 -3.5621 -1.9143 -1.9143 -0.7118 -0.7118 -0.5730 -0.5730 -0.3159 -0.3159 0.5105 0.5105 0.5952 0.5952 0.9077 0.9077 1.2541 1.2541 4.6548 4.6548 8.1291 8.1291 9.1317 9.1317 9.3802 9.3802 k = 0.3421 0.5000-0.0000 ( 10860 PWs) bands (ev): -18.4912 -18.4912 -15.9824 -15.9824 -12.9723 -12.9723 -10.8396 -10.8396 -5.1423 -5.1423 -4.0283 -4.0283 -3.5644 -3.5644 -1.9148 -1.9148 -0.7086 -0.7086 -0.5685 -0.5685 -0.3324 -0.3324 0.5322 0.5322 0.6219 0.6219 0.8974 0.8974 1.2314 1.2314 4.6593 4.6593 8.0786 8.0786 9.1343 9.1343 9.3430 9.3430 k = 0.3553 0.5000-0.0000 ( 10842 PWs) bands (ev): -18.4906 -18.4906 -15.9796 -15.9796 -12.9701 -12.9701 -10.8373 -10.8373 -5.1569 -5.1569 -4.0539 -4.0539 -3.5660 -3.5660 -1.9152 -1.9152 -0.7062 -0.7062 -0.5645 -0.5645 -0.3477 -0.3477 0.5532 0.5532 0.6470 0.6470 0.8871 0.8871 1.2106 1.2106 4.6635 4.6635 8.0314 8.0314 9.1357 9.1357 9.3090 9.3090 k = 0.3684 0.5000-0.0000 ( 10840 PWs) bands (ev): -18.4901 -18.4901 -15.9769 -15.9769 -12.9681 -12.9681 -10.8352 -10.8352 -5.1706 -5.1706 -4.0777 -4.0777 -3.5672 -3.5672 -1.9154 -1.9154 -0.7048 -0.7048 -0.5611 -0.5611 -0.3613 -0.3613 0.5730 0.5730 0.6706 0.6706 0.8768 0.8768 1.1919 1.1919 4.6675 4.6675 7.9876 7.9876 9.1363 9.1363 9.2782 9.2782 k = 0.3816 0.5000-0.0000 ( 10848 PWs) bands (ev): -18.4896 -18.4896 -15.9744 -15.9744 -12.9662 -12.9662 -10.8332 -10.8332 -5.1835 -5.1835 -4.0995 -4.0995 -3.5679 -3.5679 -1.9156 -1.9156 -0.7041 -0.7041 -0.5584 -0.5584 -0.3731 -0.3731 0.5914 0.5914 0.6923 0.6923 0.8667 0.8667 1.1752 1.1752 4.6713 4.6713 7.9474 7.9474 9.1361 9.1361 9.2507 9.2507 k = 0.3947 0.5000-0.0000 ( 10848 PWs) bands (ev): -18.4892 -18.4892 -15.9721 -15.9721 -12.9645 -12.9645 -10.8313 -10.8313 -5.1953 -5.1953 -4.1192 -4.1192 -3.5684 -3.5684 -1.9157 -1.9157 -0.7040 -0.7040 -0.5562 -0.5562 -0.3831 -0.3831 0.6083 0.6083 0.7122 0.7122 0.8571 0.8571 1.1605 1.1605 4.6747 4.6747 7.9110 7.9110 9.1351 9.1351 9.2265 9.2265 k = 0.4079 0.5000-0.0000 ( 10836 PWs) bands (ev): -18.4887 -18.4887 -15.9701 -15.9701 -12.9629 -12.9629 -10.8297 -10.8297 -5.2059 -5.2059 -4.1368 -4.1368 -3.5686 -3.5686 -1.9158 -1.9158 -0.7046 -0.7046 -0.5547 -0.5547 -0.3913 -0.3913 0.6236 0.6236 0.7300 0.7300 0.8480 0.8480 1.1477 1.1477 4.6777 4.6777 7.8786 7.8786 9.1336 9.1336 9.2056 9.2056 k = 0.4211 0.5000-0.0000 ( 10828 PWs) bands (ev): -18.4884 -18.4884 -15.9683 -15.9683 -12.9616 -12.9616 -10.8283 -10.8283 -5.2154 -5.2154 -4.1522 -4.1522 -3.5687 -3.5687 -1.9158 -1.9158 -0.7055 -0.7055 -0.5537 -0.5537 -0.3978 -0.3978 0.6370 0.6370 0.7458 0.7458 0.8398 0.8398 1.1367 1.1367 4.6804 4.6804 7.8502 7.8502 9.1314 9.1314 9.1881 9.1881 k = 0.4342 0.5000-0.0000 ( 10832 PWs) bands (ev): -18.4881 -18.4881 -15.9667 -15.9667 -12.9604 -12.9604 -10.8270 -10.8270 -5.2235 -5.2235 -4.1653 -4.1653 -3.5687 -3.5687 -1.9158 -1.9158 -0.7066 -0.7066 -0.5531 -0.5531 -0.4028 -0.4028 0.6485 0.6485 0.7593 0.7593 0.8324 0.8324 1.1276 1.1276 4.6827 4.6827 7.8260 7.8260 9.1285 9.1285 9.1741 9.1741 k = 0.4474 0.5000-0.0000 ( 10824 PWs) bands (ev): -18.4878 -18.4878 -15.9655 -15.9655 -12.9594 -12.9594 -10.8260 -10.8260 -5.2303 -5.2303 -4.1760 -4.1760 -3.5686 -3.5686 -1.9158 -1.9158 -0.7079 -0.7079 -0.5528 -0.5528 -0.4065 -0.4065 0.6580 0.6580 0.7705 0.7705 0.8261 0.8261 1.1203 1.1203 4.6846 4.6846 7.8061 7.8061 9.1252 9.1252 9.1637 9.1637 k = 0.4605 0.5000-0.0000 ( 10816 PWs) bands (ev): -18.4876 -18.4876 -15.9644 -15.9644 -12.9587 -12.9587 -10.8252 -10.8252 -5.2356 -5.2356 -4.1844 -4.1844 -3.5686 -3.5686 -1.9157 -1.9157 -0.7090 -0.7090 -0.5527 -0.5527 -0.4090 -0.4090 0.6655 0.6655 0.7793 0.7793 0.8211 0.8211 1.1146 1.1146 4.6861 4.6861 7.7905 7.7905 9.1215 9.1215 9.1565 9.1565 k = 0.4737 0.5000-0.0000 ( 10812 PWs) bands (ev): -18.4875 -18.4875 -15.9637 -15.9637 -12.9581 -12.9581 -10.8246 -10.8246 -5.2394 -5.2394 -4.1904 -4.1904 -3.5685 -3.5685 -1.9157 -1.9157 -0.7099 -0.7099 -0.5526 -0.5526 -0.4107 -0.4107 0.6708 0.6708 0.7857 0.7857 0.8174 0.8174 1.1106 1.1106 4.6872 4.6872 7.7793 7.7793 9.1182 9.1182 9.1520 9.1520 k = 0.4868 0.5000-0.0000 ( 10804 PWs) bands (ev): -18.4874 -18.4874 -15.9633 -15.9633 -12.9578 -12.9578 -10.8242 -10.8242 -5.2417 -5.2417 -4.1941 -4.1941 -3.5684 -3.5684 -1.9157 -1.9157 -0.7105 -0.7105 -0.5527 -0.5527 -0.4117 -0.4117 0.6741 0.6741 0.7895 0.7895 0.8151 0.8151 1.1082 1.1082 4.6878 4.6878 7.7726 7.7726 9.1160 9.1160 9.1496 9.1496 k = 0.5000 0.5000-0.0000 ( 10808 PWs) bands (ev): -18.4874 -18.4874 -15.9631 -15.9631 -12.9577 -12.9577 -10.8241 -10.8241 -5.2425 -5.2425 -4.1953 -4.1953 -3.5684 -3.5684 -1.9157 -1.9157 -0.7107 -0.7107 -0.5527 -0.5527 -0.4120 -0.4120 0.6752 0.6752 0.7908 0.7908 0.8143 0.8143 1.1074 1.1074 4.6881 4.6881 7.7704 7.7704 9.1152 9.1152 9.1488 9.1488 k = 0.5000 0.5000-0.0000 ( 10808 PWs) bands (ev): -18.4874 -18.4874 -15.9631 -15.9631 -12.9577 -12.9577 -10.8241 -10.8241 -5.2425 -5.2425 -4.1953 -4.1953 -3.5684 -3.5684 -1.9157 -1.9157 -0.7107 -0.7107 -0.5527 -0.5527 -0.4120 -0.4120 0.6752 0.6752 0.7908 0.7908 0.8143 0.8143 1.1074 1.1074 4.6881 4.6881 7.7704 7.7704 9.1152 9.1152 9.1488 9.1488 k = 0.4907 0.4907-0.0000 ( 10804 PWs) bands (ev): -18.4874 -18.4874 -15.9633 -15.9633 -12.9578 -12.9578 -10.8242 -10.8242 -5.2417 -5.2417 -4.1941 -4.1941 -3.5684 -3.5684 -1.9157 -1.9157 -0.7105 -0.7105 -0.5527 -0.5527 -0.4117 -0.4117 0.6741 0.6741 0.7896 0.7896 0.8151 0.8151 1.1082 1.1082 4.6878 4.6878 7.7726 7.7726 9.1160 9.1160 9.1496 9.1496 k = 0.4815 0.4815-0.0000 ( 10812 PWs) bands (ev): -18.4875 -18.4875 -15.9637 -15.9637 -12.9581 -12.9581 -10.8246 -10.8246 -5.2395 -5.2395 -4.1905 -4.1905 -3.5685 -3.5685 -1.9157 -1.9157 -0.7099 -0.7099 -0.5526 -0.5526 -0.4108 -0.4108 0.6708 0.6708 0.7858 0.7858 0.8174 0.8174 1.1106 1.1106 4.6872 4.6872 7.7792 7.7792 9.1184 9.1184 9.1518 9.1518 k = 0.4722 0.4722-0.0000 ( 10824 PWs) bands (ev): -18.4876 -18.4876 -15.9644 -15.9644 -12.9587 -12.9587 -10.8252 -10.8252 -5.2357 -5.2357 -4.1845 -4.1845 -3.5686 -3.5686 -1.9157 -1.9157 -0.7089 -0.7089 -0.5525 -0.5525 -0.4093 -0.4093 0.6650 0.6650 0.7800 0.7800 0.8211 0.8211 1.1145 1.1145 4.6861 4.6861 7.7902 7.7902 9.1225 9.1225 9.1555 9.1555 k = 0.4630 0.4630-0.0000 ( 10822 PWs) bands (ev): -18.4878 -18.4878 -15.9654 -15.9654 -12.9594 -12.9594 -10.8260 -10.8260 -5.2304 -5.2304 -4.1762 -4.1762 -3.5686 -3.5686 -1.9158 -1.9158 -0.7075 -0.7075 -0.5524 -0.5524 -0.4071 -0.4071 0.6565 0.6565 0.7726 0.7726 0.8263 0.8263 1.1199 1.1199 4.6847 4.6847 7.8055 7.8055 9.1282 9.1282 9.1606 9.1606 k = 0.4537 0.4537-0.0000 ( 10836 PWs) bands (ev): -18.4881 -18.4881 -15.9667 -15.9667 -12.9604 -12.9604 -10.8270 -10.8270 -5.2237 -5.2237 -4.1656 -4.1656 -3.5687 -3.5687 -1.9158 -1.9158 -0.7057 -0.7057 -0.5522 -0.5522 -0.4044 -0.4044 0.6448 0.6448 0.7642 0.7642 0.8328 0.8328 1.1269 1.1269 4.6828 4.6828 7.8250 7.8250 9.1355 9.1355 9.1674 9.1674 k = 0.4444 0.4444-0.0000 ( 10834 PWs) bands (ev): -18.4884 -18.4884 -15.9681 -15.9681 -12.9616 -12.9616 -10.8283 -10.8283 -5.2157 -5.2157 -4.1527 -4.1527 -3.5687 -3.5687 -1.9158 -1.9158 -0.7037 -0.7037 -0.5520 -0.5520 -0.4010 -0.4010 0.6295 0.6295 0.7554 0.7554 0.8407 0.8407 1.1354 1.1354 4.6805 4.6805 7.8485 7.8485 9.1445 9.1445 9.1756 9.1756 k = 0.4352 0.4352-0.0000 ( 10838 PWs) bands (ev): -18.4889 -18.4889 -15.9699 -15.9699 -12.9630 -12.9630 -10.8298 -10.8298 -5.2064 -5.2064 -4.1376 -4.1376 -3.5686 -3.5686 -1.9158 -1.9158 -0.7013 -0.7013 -0.5516 -0.5516 -0.3970 -0.3970 0.6104 0.6104 0.7467 0.7467 0.8498 0.8498 1.1453 1.1453 4.6779 4.6779 7.8759 7.8759 9.1550 9.1550 9.1855 9.1855 k = 0.4259 0.4259-0.0000 ( 10842 PWs) bands (ev): -18.4894 -18.4894 -15.9718 -15.9718 -12.9645 -12.9645 -10.8314 -10.8314 -5.1960 -5.1960 -4.1203 -4.1203 -3.5684 -3.5684 -1.9158 -1.9158 -0.6987 -0.6987 -0.5512 -0.5512 -0.3924 -0.3924 0.5876 0.5876 0.7385 0.7385 0.8601 0.8601 1.1566 1.1566 4.6750 4.6750 7.9068 7.9068 9.1672 9.1672 9.1969 9.1969 k = 0.4167 0.4167-0.0000 ( 10846 PWs) bands (ev): -18.4899 -18.4899 -15.9739 -15.9739 -12.9663 -12.9663 -10.8334 -10.8334 -5.1844 -5.1844 -4.1010 -4.1010 -3.5679 -3.5679 -1.9158 -1.9158 -0.6959 -0.6959 -0.5506 -0.5506 -0.3871 -0.3871 0.5614 0.5614 0.7308 0.7308 0.8716 0.8716 1.1693 1.1693 4.6718 4.6718 7.9410 7.9410 9.1810 9.1810 9.2101 9.2101 k = 0.4074 0.4074-0.0000 ( 10842 PWs) bands (ev): -18.4906 -18.4906 -15.9761 -15.9761 -12.9683 -12.9683 -10.8355 -10.8355 -5.1719 -5.1719 -4.0798 -4.0798 -3.5672 -3.5672 -1.9157 -1.9157 -0.6930 -0.6930 -0.5498 -0.5498 -0.3813 -0.3813 0.5323 0.5323 0.7236 0.7236 0.8841 0.8841 1.1833 1.1833 4.6683 4.6683 7.9782 7.9782 9.1962 9.1962 9.2250 9.2250 k = 0.3981 0.3981-0.0000 ( 10844 PWs) bands (ev): -18.4914 -18.4914 -15.9785 -15.9785 -12.9704 -12.9704 -10.8378 -10.8378 -5.1585 -5.1585 -4.0567 -4.0567 -3.5661 -3.5661 -1.9156 -1.9156 -0.6899 -0.6899 -0.5490 -0.5490 -0.3748 -0.3748 0.5009 0.5009 0.7167 0.7167 0.8977 0.8977 1.1985 1.1985 4.6645 4.6645 8.0180 8.0180 9.2129 9.2129 9.2417 9.2417 k = 0.3889 0.3889-0.0000 ( 10848 PWs) bands (ev): -18.4922 -18.4922 -15.9810 -15.9810 -12.9728 -12.9728 -10.8403 -10.8403 -5.1444 -5.1444 -4.0320 -4.0320 -3.5646 -3.5646 -1.9154 -1.9154 -0.6869 -0.6869 -0.5480 -0.5480 -0.3677 -0.3677 0.4677 0.4677 0.7101 0.7101 0.9122 0.9122 1.2149 1.2149 4.6606 4.6606 8.0598 8.0598 9.2310 9.2310 9.2602 9.2602 k = 0.3796 0.3796-0.0000 ( 10852 PWs) bands (ev): -18.4932 -18.4932 -15.9835 -15.9835 -12.9752 -12.9752 -10.8430 -10.8430 -5.1296 -5.1296 -4.0059 -4.0059 -3.5625 -3.5625 -1.9151 -1.9151 -0.6838 -0.6838 -0.5470 -0.5470 -0.3600 -0.3600 0.4334 0.4334 0.7036 0.7036 0.9276 0.9276 1.2324 1.2324 4.6565 4.6565 8.1031 8.1031 9.2503 9.2503 9.2806 9.2806 k = 0.3704 0.3704-0.0000 ( 10848 PWs) bands (ev): -18.4943 -18.4943 -15.9860 -15.9860 -12.9779 -12.9779 -10.8459 -10.8459 -5.1143 -5.1143 -3.9785 -3.9785 -3.5598 -3.5598 -1.9148 -1.9148 -0.6807 -0.6807 -0.5460 -0.5460 -0.3518 -0.3518 0.3986 0.3986 0.6972 0.6972 0.9438 0.9438 1.2509 1.2509 4.6523 4.6523 8.1473 8.1473 9.2709 9.2709 9.3028 9.3028 k = 0.3611 0.3611-0.0000 ( 10846 PWs) bands (ev): -18.4955 -18.4955 -15.9886 -15.9886 -12.9807 -12.9807 -10.8489 -10.8489 -5.0985 -5.0985 -3.9502 -3.9502 -3.5563 -3.5563 -1.9144 -1.9144 -0.6777 -0.6777 -0.5450 -0.5450 -0.3429 -0.3429 0.3641 0.3641 0.6909 0.6909 0.9608 0.9608 1.2703 1.2703 4.6480 4.6480 8.1917 8.1917 9.2926 9.2926 9.3268 9.3268 k = 0.3519 0.3519-0.0000 ( 10840 PWs) bands (ev): -18.4969 -18.4969 -15.9911 -15.9911 -12.9836 -12.9836 -10.8521 -10.8521 -5.0825 -5.0825 -3.9212 -3.9212 -3.5518 -3.5518 -1.9140 -1.9140 -0.6748 -0.6748 -0.5442 -0.5442 -0.3336 -0.3336 0.3304 0.3304 0.6846 0.6846 0.9785 0.9785 1.2906 1.2906 4.6437 4.6437 8.2352 8.2352 9.3156 9.3156 9.3524 9.3524 k = 0.3426 0.3426-0.0000 ( 10856 PWs) bands (ev): -18.4983 -18.4983 -15.9936 -15.9936 -12.9866 -12.9866 -10.8555 -10.8555 -5.0663 -5.0663 -3.8920 -3.8920 -3.5463 -3.5463 -1.9135 -1.9135 -0.6720 -0.6720 -0.5437 -0.5437 -0.3237 -0.3237 0.2981 0.2981 0.6783 0.6783 0.9968 0.9968 1.3115 1.3115 4.6393 4.6393 8.2770 8.2770 9.3398 9.3398 9.3795 9.3795 k = 0.3333 0.3333-0.0000 ( 10852 PWs) bands (ev): -18.4999 -18.4999 -15.9960 -15.9960 -12.9898 -12.9898 -10.8590 -10.8590 -5.0500 -5.0500 -3.8628 -3.8628 -3.5396 -3.5396 -1.9130 -1.9130 -0.6692 -0.6692 -0.5435 -0.5435 -0.3133 -0.3133 0.2681 0.2681 0.6721 0.6721 1.0157 1.0157 1.3332 1.3332 4.6350 4.6350 8.3160 8.3160 9.3652 9.3652 9.4079 9.4079 k = 0.3241 0.3241-0.0000 ( 10840 PWs) bands (ev): -18.5017 -18.5017 -15.9983 -15.9983 -12.9930 -12.9930 -10.8627 -10.8627 -5.0337 -5.0337 -3.8341 -3.8341 -3.5314 -3.5314 -1.9125 -1.9125 -0.6666 -0.6666 -0.5438 -0.5438 -0.3024 -0.3024 0.2407 0.2407 0.6659 0.6659 1.0352 1.0352 1.3553 1.3553 4.6308 4.6308 8.3508 8.3508 9.3918 9.3918 9.4374 9.4374 k = 0.3148 0.3148-0.0000 ( 10842 PWs) bands (ev): -18.5036 -18.5036 -16.0004 -16.0004 -12.9964 -12.9964 -10.8664 -10.8664 -5.0176 -5.0176 -3.8063 -3.8063 -3.5216 -3.5216 -1.9121 -1.9121 -0.6640 -0.6640 -0.5445 -0.5445 -0.2910 -0.2910 0.2165 0.2165 0.6597 0.6597 1.0550 1.0550 1.3779 1.3779 4.6266 4.6266 8.3802 8.3802 9.4197 9.4197 9.4677 9.4677 k = 0.3056 0.3056-0.0000 ( 10832 PWs) bands (ev): -18.5056 -18.5056 -16.0024 -16.0024 -12.9998 -12.9998 -10.8703 -10.8703 -5.0016 -5.0016 -3.7798 -3.7798 -3.5102 -3.5102 -1.9118 -1.9118 -0.6614 -0.6614 -0.5456 -0.5456 -0.2790 -0.2790 0.1959 0.1959 0.6536 0.6536 1.0753 1.0753 1.4009 1.4009 4.6226 4.6226 8.4027 8.4027 9.4488 9.4488 9.4985 9.4985 k = 0.2963 0.2963-0.0000 ( 10838 PWs) bands (ev): -18.5078 -18.5078 -16.0041 -16.0041 -13.0033 -13.0033 -10.8743 -10.8743 -4.9860 -4.9860 -3.7550 -3.7550 -3.4970 -3.4970 -1.9117 -1.9117 -0.6589 -0.6589 -0.5469 -0.5469 -0.2664 -0.2664 0.1793 0.1793 0.6475 0.6475 1.0959 1.0959 1.4241 1.4241 4.6187 4.6187 8.4170 8.4170 9.4792 9.4792 9.5297 9.5297 k = 0.2870 0.2870-0.0000 ( 10842 PWs) bands (ev): -18.5101 -18.5101 -16.0057 -16.0057 -13.0068 -13.0068 -10.8783 -10.8783 -4.9707 -4.9707 -3.7320 -3.7320 -3.4822 -3.4822 -1.9118 -1.9118 -0.6563 -0.6563 -0.5483 -0.5483 -0.2532 -0.2532 0.1666 0.1666 0.6416 0.6416 1.1168 1.1168 1.4474 1.4474 4.6151 4.6151 8.4220 8.4220 9.5107 9.5107 9.5608 9.5608 k = 0.2778 0.2778-0.0000 ( 10830 PWs) bands (ev): -18.5125 -18.5125 -16.0071 -16.0071 -13.0104 -13.0104 -10.8824 -10.8824 -4.9558 -4.9558 -3.7109 -3.7109 -3.4659 -3.4659 -1.9124 -1.9124 -0.6536 -0.6536 -0.5494 -0.5494 -0.2393 -0.2393 0.1581 0.1581 0.6359 0.6359 1.1379 1.1379 1.4708 1.4708 4.6116 4.6116 8.4165 8.4165 9.5433 9.5433 9.5916 9.5916 k = 0.2685 0.2685-0.0000 ( 10830 PWs) bands (ev): -18.5151 -18.5151 -16.0082 -16.0082 -13.0140 -13.0140 -10.8866 -10.8866 -4.9414 -4.9414 -3.6917 -3.6917 -3.4486 -3.4486 -1.9135 -1.9135 -0.6507 -0.6507 -0.5498 -0.5498 -0.2248 -0.2248 0.1534 0.1534 0.6303 0.6303 1.1591 1.1591 1.4942 1.4942 4.6084 4.6084 8.4001 8.4001 9.5765 9.5765 9.6213 9.6213 k = 0.2593 0.2593-0.0000 ( 10838 PWs) bands (ev): -18.5178 -18.5178 -16.0091 -16.0091 -13.0176 -13.0176 -10.8908 -10.8908 -4.9276 -4.9276 -3.6742 -3.6742 -3.4306 -3.4306 -1.9151 -1.9151 -0.6476 -0.6476 -0.5490 -0.5490 -0.2095 -0.2095 0.1524 0.1524 0.6250 0.6250 1.1804 1.1804 1.5175 1.5175 4.6054 4.6054 8.3725 8.3725 9.5696 9.5696 9.6187 9.6187 k = 0.2500 0.2500-0.0000 ( 10842 PWs) bands (ev): -18.5206 -18.5206 -16.0097 -16.0097 -13.0213 -13.0213 -10.8951 -10.8951 -4.9144 -4.9144 -3.6581 -3.6581 -3.4126 -3.4126 -1.9175 -1.9175 -0.6440 -0.6440 -0.5466 -0.5466 -0.1936 -0.1936 0.1548 0.1548 0.6199 0.6199 1.2016 1.2016 1.5405 1.5405 4.6027 4.6027 8.3340 8.3340 9.4535 9.4535 9.6516 9.6516 k = 0.2407 0.2407-0.0000 ( 10848 PWs) bands (ev): -18.5235 -18.5235 -16.0101 -16.0101 -13.0249 -13.0249 -10.8993 -10.8993 -4.9019 -4.9019 -3.6433 -3.6433 -3.3950 -3.3950 -1.9206 -1.9206 -0.6400 -0.6400 -0.5420 -0.5420 -0.1769 -0.1769 0.1603 0.1603 0.6151 0.6151 1.2229 1.2229 1.5633 1.5633 4.6002 4.6002 8.2852 8.2852 9.3345 9.3345 9.6889 9.6889 k = 0.2315 0.2315-0.0000 ( 10850 PWs) bands (ev): -18.5265 -18.5265 -16.0102 -16.0102 -13.0285 -13.0285 -10.9036 -10.9036 -4.8900 -4.8900 -3.6295 -3.6295 -3.3782 -3.3782 -1.9246 -1.9246 -0.6355 -0.6355 -0.5350 -0.5350 -0.1595 -0.1595 0.1684 0.1684 0.6107 0.6107 1.2439 1.2439 1.5857 1.5857 4.5980 4.5980 8.2273 8.2273 9.2164 9.2164 9.7272 9.7272 k = 0.2222 0.2222-0.0000 ( 10854 PWs) bands (ev): -18.5295 -18.5295 -16.0101 -16.0101 -13.0321 -13.0321 -10.9079 -10.9079 -4.8789 -4.8789 -3.6164 -3.6164 -3.3627 -3.3627 -1.9295 -1.9295 -0.6306 -0.6306 -0.5251 -0.5251 -0.1414 -0.1414 0.1788 0.1788 0.6066 0.6066 1.2648 1.2648 1.6077 1.6077 4.5962 4.5962 8.1614 8.1614 9.1001 9.1001 9.7564 9.7564 k = 0.2130 0.2130-0.0000 ( 10862 PWs) bands (ev): -18.5327 -18.5327 -16.0098 -16.0098 -13.0356 -13.0356 -10.9121 -10.9121 -4.8685 -4.8685 -3.6039 -3.6039 -3.3486 -3.3486 -1.9352 -1.9352 -0.6253 -0.6253 -0.5120 -0.5120 -0.1227 -0.1227 0.1912 0.1912 0.6030 0.6030 1.2854 1.2854 1.6293 1.6293 4.5945 4.5945 8.0890 8.0890 8.9860 8.9860 9.7788 9.7788 k = 0.2037 0.2037-0.0000 ( 10854 PWs) bands (ev): -18.5359 -18.5359 -16.0092 -16.0092 -13.0391 -13.0391 -10.9163 -10.9163 -4.8588 -4.8588 -3.5919 -3.5919 -3.3363 -3.3363 -1.9418 -1.9418 -0.6197 -0.6197 -0.4955 -0.4955 -0.1035 -0.1035 0.2052 0.2052 0.5999 0.5999 1.3056 1.3056 1.6503 1.6503 4.5932 4.5932 8.0114 8.0114 8.8745 8.8745 9.7991 9.7991 k = 0.1944 0.1944-0.0000 ( 10848 PWs) bands (ev): -18.5391 -18.5391 -16.0085 -16.0085 -13.0425 -13.0425 -10.9204 -10.9204 -4.8499 -4.8499 -3.5803 -3.5803 -3.3258 -3.3258 -1.9491 -1.9491 -0.6141 -0.6141 -0.4756 -0.4756 -0.0837 -0.0837 0.2206 0.2206 0.5973 0.5973 1.3253 1.3253 1.6707 1.6707 4.5921 4.5921 7.9299 7.9299 8.7659 8.7659 9.8175 9.8175 k = 0.1852 0.1852-0.0000 ( 10870 PWs) bands (ev): -18.5424 -18.5424 -16.0075 -16.0075 -13.0459 -13.0459 -10.9244 -10.9244 -4.8417 -4.8417 -3.5691 -3.5691 -3.3172 -3.3172 -1.9570 -1.9570 -0.6085 -0.6085 -0.4524 -0.4524 -0.0634 -0.0634 0.2371 0.2371 0.5952 0.5952 1.3446 1.3446 1.6905 1.6905 4.5913 4.5913 7.8457 7.8457 8.6605 8.6605 9.8338 9.8338 k = 0.1759 0.1759-0.0000 ( 10870 PWs) bands (ev): -18.5456 -18.5456 -16.0064 -16.0064 -13.0491 -13.0491 -10.9284 -10.9284 -4.8343 -4.8343 -3.5583 -3.5583 -3.3103 -3.3103 -1.9655 -1.9655 -0.6028 -0.6028 -0.4264 -0.4264 -0.0427 -0.0427 0.2544 0.2544 0.5938 0.5938 1.3633 1.3633 1.7097 1.7097 4.5907 4.5907 7.7600 7.7600 8.5586 8.5586 9.8455 9.8455 k = 0.1667 0.1667-0.0000 ( 10870 PWs) bands (ev): -18.5489 -18.5489 -16.0051 -16.0051 -13.0523 -13.0523 -10.9322 -10.9322 -4.8276 -4.8276 -3.5479 -3.5479 -3.3051 -3.3051 -1.9743 -1.9743 -0.5973 -0.5973 -0.3980 -0.3980 -0.0216 -0.0216 0.2724 0.2724 0.5931 0.5931 1.3813 1.3813 1.7281 1.7281 4.5904 4.5904 7.6739 7.6739 8.4604 8.4604 9.7976 9.7976 k = 0.1574 0.1574-0.0000 ( 10870 PWs) bands (ev): -18.5521 -18.5521 -16.0037 -16.0037 -13.0553 -13.0553 -10.9360 -10.9360 -4.8216 -4.8216 -3.5381 -3.5381 -3.3015 -3.3015 -1.9832 -1.9832 -0.5918 -0.5918 -0.3677 -0.3677 -0.0001 -0.0001 0.2908 0.2908 0.5931 0.5931 1.3987 1.3987 1.7457 1.7457 4.5902 4.5902 7.5881 7.5881 8.3662 8.3662 9.7267 9.7267 k = 0.1481 0.1481-0.0000 ( 10868 PWs) bands (ev): -18.5552 -18.5552 -16.0022 -16.0022 -13.0582 -13.0582 -10.9396 -10.9396 -4.8163 -4.8163 -3.5287 -3.5287 -3.2991 -3.2991 -1.9923 -1.9923 -0.5865 -0.5865 -0.3361 -0.3361 0.0216 0.0216 0.3093 0.3093 0.5939 0.5939 1.4153 1.4153 1.7626 1.7626 4.5903 4.5903 7.5035 7.5035 8.2761 8.2761 9.6558 9.6558 k = 0.1389 0.1389-0.0000 ( 10864 PWs) bands (ev): -18.5583 -18.5583 -16.0006 -16.0006 -13.0610 -13.0610 -10.9430 -10.9430 -4.8116 -4.8116 -3.5200 -3.5200 -3.2978 -3.2978 -2.0012 -2.0012 -0.5812 -0.5812 -0.3041 -0.3041 0.0436 0.0436 0.3279 0.3279 0.5955 0.5955 1.4310 1.4310 1.7786 1.7786 4.5905 4.5905 7.4208 7.4208 8.1905 8.1905 9.5859 9.5859 k = 0.1296 0.1296-0.0000 ( 10850 PWs) bands (ev): -18.5613 -18.5613 -15.9989 -15.9989 -13.0637 -13.0637 -10.9463 -10.9463 -4.8076 -4.8076 -3.5121 -3.5121 -3.2973 -3.2973 -2.0099 -2.0099 -0.5761 -0.5761 -0.2721 -0.2721 0.0659 0.0659 0.3462 0.3462 0.5979 0.5979 1.4459 1.4459 1.7938 1.7938 4.5908 4.5908 7.3407 7.3407 8.1094 8.1094 9.5177 9.5177 k = 0.1204 0.1204-0.0000 ( 10848 PWs) bands (ev): -18.5642 -18.5642 -15.9972 -15.9972 -13.0662 -13.0662 -10.9495 -10.9495 -4.8041 -4.8041 -3.5049 -3.5049 -3.2974 -3.2974 -2.0183 -2.0183 -0.5712 -0.5712 -0.2409 -0.2409 0.0882 0.0882 0.3642 0.3642 0.6013 0.6013 1.4599 1.4599 1.8081 1.8081 4.5912 4.5912 7.2636 7.2636 8.0331 8.0331 9.4516 9.4516 k = 0.1111 0.1111-0.0000 ( 10862 PWs) bands (ev): -18.5669 -18.5669 -15.9955 -15.9955 -13.0685 -13.0685 -10.9524 -10.9524 -4.8011 -4.8011 -3.4986 -3.4986 -3.2978 -3.2978 -2.0263 -2.0263 -0.5664 -0.5664 -0.2111 -0.2111 0.1104 0.1104 0.3816 0.3816 0.6056 0.6056 1.4729 1.4729 1.8215 1.8215 4.5918 4.5918 7.1903 7.1903 7.9617 7.9617 9.3880 9.3880 k = 0.1019 0.1019-0.0000 ( 10862 PWs) bands (ev): -18.5695 -18.5695 -15.9938 -15.9938 -13.0707 -13.0707 -10.9552 -10.9552 -4.7986 -4.7986 -3.4933 -3.4933 -3.2983 -3.2983 -2.0338 -2.0338 -0.5618 -0.5618 -0.1831 -0.1831 0.1324 0.1324 0.3981 0.3981 0.6107 0.6107 1.4850 1.4850 1.8340 1.8340 4.5924 4.5924 7.1210 7.1210 7.8954 7.8954 9.3276 9.3276 k = 0.0926 0.0926-0.0000 ( 10874 PWs) bands (ev): -18.5719 -18.5719 -15.9922 -15.9922 -13.0728 -13.0728 -10.9577 -10.9577 -4.7966 -4.7966 -3.4889 -3.4889 -3.2987 -3.2987 -2.0407 -2.0407 -0.5575 -0.5575 -0.1573 -0.1573 0.1539 0.1539 0.4138 0.4138 0.6168 0.6168 1.4960 1.4960 1.8455 1.8455 4.5931 4.5931 7.0563 7.0563 7.8343 7.8343 9.2705 9.2705 k = 0.0833 0.0833-0.0000 ( 10864 PWs) bands (ev): -18.5742 -18.5742 -15.9907 -15.9907 -13.0746 -13.0746 -10.9601 -10.9601 -4.7949 -4.7949 -3.4855 -3.4855 -3.2990 -3.2990 -2.0471 -2.0471 -0.5535 -0.5535 -0.1340 -0.1340 0.1746 0.1746 0.4283 0.4283 0.6235 0.6235 1.5061 1.5061 1.8560 1.8560 4.5937 4.5937 6.9966 6.9966 7.7786 7.7786 9.2175 9.2175 k = 0.0741 0.0741-0.0000 ( 10868 PWs) bands (ev): -18.5762 -18.5762 -15.9892 -15.9892 -13.0763 -13.0763 -10.9622 -10.9622 -4.7935 -4.7935 -3.4829 -3.4829 -3.2991 -3.2991 -2.0529 -2.0529 -0.5498 -0.5498 -0.1133 -0.1133 0.1941 0.1941 0.4416 0.4416 0.6308 0.6308 1.5150 1.5150 1.8655 1.8655 4.5944 4.5944 6.9421 6.9421 7.7284 7.7284 9.1687 9.1687 k = 0.0648 0.0648-0.0000 ( 10866 PWs) bands (ev): -18.5781 -18.5781 -15.9879 -15.9879 -13.0778 -13.0778 -10.9641 -10.9641 -4.7925 -4.7925 -3.4811 -3.4811 -3.2990 -3.2990 -2.0580 -2.0580 -0.5464 -0.5464 -0.0953 -0.0953 0.2121 0.2121 0.4535 0.4535 0.6385 0.6385 1.5230 1.5230 1.8739 1.8739 4.5951 4.5951 6.8932 6.8932 7.6839 7.6839 9.1246 9.1246 k = 0.0556 0.0556-0.0000 ( 10878 PWs) bands (ev): -18.5797 -18.5797 -15.9867 -15.9867 -13.0791 -13.0791 -10.9658 -10.9658 -4.7917 -4.7917 -3.4800 -3.4800 -3.2986 -3.2986 -2.0624 -2.0624 -0.5434 -0.5434 -0.0799 -0.0799 0.2283 0.2283 0.4639 0.4639 0.6462 0.6462 1.5298 1.5298 1.8813 1.8813 4.5957 4.5957 6.8503 6.8503 7.6450 7.6450 9.0856 9.0856 k = 0.0463 0.0463-0.0000 ( 10867 PWs) bands (ev): -18.5811 -18.5811 -15.9856 -15.9856 -13.0802 -13.0802 -10.9672 -10.9672 -4.7910 -4.7910 -3.4793 -3.4793 -3.2981 -3.2981 -2.0662 -2.0662 -0.5409 -0.5409 -0.0671 -0.0671 0.2424 0.2424 0.4728 0.4728 0.6536 0.6536 1.5357 1.5357 1.8875 1.8875 4.5962 4.5962 6.8135 6.8135 7.6120 7.6120 9.0520 9.0520 k = 0.0370 0.0370-0.0000 ( 10889 PWs) bands (ev): -18.5822 -18.5822 -15.9847 -15.9847 -13.0811 -13.0811 -10.9683 -10.9683 -4.7906 -4.7906 -3.4791 -3.4791 -3.2975 -3.2975 -2.0693 -2.0693 -0.5387 -0.5387 -0.0568 -0.0568 0.2541 0.2541 0.4801 0.4801 0.6603 0.6603 1.5404 1.5404 1.8927 1.8927 4.5967 4.5967 6.7831 6.7831 7.5849 7.5849 9.0241 9.0241 k = 0.0278 0.0278-0.0000 ( 10885 PWs) bands (ev): -18.5831 -18.5831 -15.9840 -15.9840 -13.0818 -13.0818 -10.9692 -10.9692 -4.7903 -4.7903 -3.4790 -3.4790 -3.2969 -3.2969 -2.0717 -2.0717 -0.5370 -0.5370 -0.0489 -0.0489 0.2633 0.2633 0.4858 0.4858 0.6659 0.6659 1.5441 1.5441 1.8967 1.8967 4.5971 4.5971 6.7592 6.7592 7.5637 7.5637 9.0021 9.0021 k = 0.0185 0.0185-0.0000 ( 10863 PWs) bands (ev): -18.5838 -18.5838 -15.9835 -15.9835 -13.0823 -13.0823 -10.9699 -10.9699 -4.7901 -4.7901 -3.4791 -3.4791 -3.2965 -3.2965 -2.0734 -2.0734 -0.5358 -0.5358 -0.0433 -0.0433 0.2700 0.2700 0.4899 0.4899 0.6702 0.6702 1.5467 1.5467 1.8996 1.8996 4.5974 4.5974 6.7421 6.7421 7.5486 7.5486 8.9862 8.9862 k = 0.0093 0.0093-0.0000 ( 10865 PWs) bands (ev): -18.5842 -18.5842 -15.9832 -15.9832 -13.0826 -13.0826 -10.9703 -10.9703 -4.7899 -4.7899 -3.4791 -3.4791 -3.2962 -3.2962 -2.0745 -2.0745 -0.5351 -0.5351 -0.0400 -0.0400 0.2740 0.2740 0.4924 0.4924 0.6729 0.6729 1.5483 1.5483 1.9014 1.9014 4.5975 4.5975 6.7318 6.7318 7.5394 7.5394 8.9767 8.9767 k = 0.0000 0.0000 0.0000 ( 10889 PWs) bands (ev): -18.5843 -18.5843 -15.9831 -15.9831 -13.0827 -13.0827 -10.9704 -10.9704 -4.7899 -4.7899 -3.4791 -3.4791 -3.2961 -3.2961 -2.0748 -2.0748 -0.5348 -0.5348 -0.0389 -0.0389 0.2754 0.2754 0.4932 0.4932 0.6738 0.6738 1.5488 1.5488 1.9019 1.9019 4.5976 4.5976 6.7283 6.7283 7.5364 7.5364 8.9735 8.9735 k = 0.0000 0.0000 0.0000 ( 10889 PWs) bands (ev): -18.5843 -18.5843 -15.9831 -15.9831 -13.0827 -13.0827 -10.9704 -10.9704 -4.7899 -4.7899 -3.4791 -3.4791 -3.2961 -3.2961 -2.0748 -2.0748 -0.5348 -0.5348 -0.0389 -0.0389 0.2754 0.2754 0.4932 0.4932 0.6738 0.6738 1.5488 1.5488 1.9019 1.9019 4.5976 4.5976 6.7283 6.7283 7.5364 7.5364 8.9735 8.9735 k = 0.0000 0.0000 0.0130 ( 10877 PWs) bands (ev): -18.5843 -18.5843 -15.9831 -15.9831 -13.0830 -13.0830 -10.9699 -10.9699 -4.7902 -4.7902 -3.4803 -3.4803 -3.2961 -3.2961 -2.0783 -2.0783 -0.5272 -0.5272 -0.0385 -0.0385 0.2756 0.2756 0.4923 0.4923 0.6730 0.6730 1.5497 1.5497 1.9028 1.9028 4.5919 4.5919 6.7309 6.7309 7.5368 7.5368 8.9751 8.9751 k = 0.0000 0.0000 0.0261 ( 10889 PWs) bands (ev): -18.5843 -18.5843 -15.9831 -15.9831 -13.0837 -13.0837 -10.9684 -10.9684 -4.7911 -4.7911 -3.4837 -3.4837 -3.2960 -3.2960 -2.0886 -2.0886 -0.5047 -0.5047 -0.0374 -0.0374 0.2763 0.2763 0.4897 0.4897 0.6704 0.6704 1.5523 1.5523 1.9053 1.9053 4.5749 4.5749 6.7385 6.7385 7.5379 7.5379 8.9798 8.9798 k = 0.0000 0.0000 0.0391 ( 10877 PWs) bands (ev): -18.5843 -18.5843 -15.9831 -15.9831 -13.0848 -13.0848 -10.9659 -10.9659 -4.7926 -4.7926 -3.4892 -3.4892 -3.2959 -3.2959 -2.1047 -2.1047 -0.4684 -0.4684 -0.0354 -0.0354 0.2774 0.2774 0.4854 0.4854 0.6663 0.6663 1.5566 1.5566 1.9094 1.9094 4.5470 4.5470 6.7512 6.7512 7.5396 7.5396 8.9873 8.9873 k = 0.0000 0.0000 0.0521 ( 10877 PWs) bands (ev): -18.5842 -18.5842 -15.9831 -15.9831 -13.0864 -13.0864 -10.9625 -10.9625 -4.7948 -4.7948 -3.4969 -3.4969 -3.2957 -3.2957 -2.1255 -2.1255 -0.4198 -0.4198 -0.0324 -0.0324 0.2789 0.2789 0.4796 0.4796 0.6606 0.6606 1.5624 1.5624 1.9149 1.9149 4.5088 4.5088 6.7687 6.7687 7.5421 7.5421 8.9971 8.9971 k = 0.0000 0.0000 0.0651 ( 10869 PWs) bands (ev): -18.5842 -18.5842 -15.9831 -15.9831 -13.0884 -13.0884 -10.9583 -10.9583 -4.7974 -4.7974 -3.5064 -3.5064 -3.2956 -3.2956 -2.1498 -2.1498 -0.3610 -0.3610 -0.0281 -0.0281 0.2809 0.2809 0.4724 0.4724 0.6535 0.6535 1.5696 1.5696 1.9218 1.9218 4.4608 4.4608 6.7910 6.7910 7.5452 7.5452 9.0082 9.0082 k = 0.0000 0.0000 0.0782 ( 10873 PWs) bands (ev): -18.5841 -18.5841 -15.9831 -15.9831 -13.0907 -13.0907 -10.9533 -10.9533 -4.8006 -4.8006 -3.5176 -3.5176 -3.2953 -3.2953 -2.1762 -2.1762 -0.2945 -0.2945 -0.0218 -0.0218 0.2833 0.2833 0.4640 0.4640 0.6451 0.6451 1.5780 1.5780 1.9298 1.9298 4.4041 4.4041 6.8177 6.8177 7.5488 7.5488 9.0193 9.0193 k = 0.0000 0.0000 0.0912 ( 10873 PWs) bands (ev): -18.5841 -18.5841 -15.9831 -15.9831 -13.0933 -13.0933 -10.9477 -10.9477 -4.8042 -4.8042 -3.5302 -3.5302 -3.2951 -3.2951 -2.2035 -2.2035 -0.2237 -0.2237 -0.0118 -0.0118 0.2861 0.2861 0.4547 0.4547 0.6356 0.6356 1.5873 1.5873 1.9388 1.9388 4.3397 4.3397 6.8489 6.8489 7.5530 7.5530 9.0280 9.0280 k = 0.0000 0.0000 0.1042 ( 10865 PWs) bands (ev): -18.5840 -18.5840 -15.9830 -15.9830 -13.0962 -13.0962 -10.9416 -10.9416 -4.8082 -4.8082 -3.5440 -3.5440 -3.2948 -3.2948 -2.2309 -2.2309 -0.1549 -0.1549 0.0064 0.0064 0.2893 0.2893 0.4447 0.4447 0.6253 0.6253 1.5975 1.5975 1.9484 1.9484 4.2687 4.2687 6.8841 6.8841 7.5575 7.5575 9.0301 9.0301 k = 0.0000 0.0000 0.1172 ( 10849 PWs) bands (ev): -18.5839 -18.5839 -15.9830 -15.9830 -13.0992 -13.0992 -10.9351 -10.9351 -4.8126 -4.8126 -3.5586 -3.5586 -3.2946 -3.2946 -2.2574 -2.2574 -0.0998 -0.0998 0.0428 0.0428 0.2929 0.2929 0.4343 0.4343 0.6142 0.6142 1.6081 1.6081 1.9586 1.9586 4.1922 4.1922 6.9232 6.9232 7.5624 7.5624 9.0178 9.0178 k = 0.0000 0.0000 0.1303 ( 10857 PWs) bands (ev): -18.5838 -18.5838 -15.9830 -15.9830 -13.1022 -13.1022 -10.9285 -10.9285 -4.8172 -4.8172 -3.5737 -3.5737 -3.2943 -3.2943 -2.2825 -2.2825 -0.0674 -0.0674 0.1044 0.1044 0.2969 0.2969 0.4240 0.4240 0.6027 0.6027 1.6190 1.6190 1.9690 1.9690 4.1117 4.1117 6.9660 6.9660 7.5675 7.5675 8.9807 8.9807 k = 0.0000 0.0000 0.1433 ( 10885 PWs) bands (ev): -18.5838 -18.5838 -15.9830 -15.9830 -13.1053 -13.1053 -10.9217 -10.9217 -4.8220 -4.8220 -3.5889 -3.5889 -3.2940 -3.2940 -2.3059 -2.3059 -0.0503 -0.0503 0.1818 0.1818 0.3012 0.3012 0.4147 0.4147 0.5909 0.5909 1.6300 1.6300 1.9794 1.9794 4.0285 4.0285 7.0121 7.0121 7.5727 7.5727 8.9158 8.9158 k = 0.0000 0.0000 0.1563 ( 10881 PWs) bands (ev): -18.5837 -18.5837 -15.9829 -15.9829 -13.1084 -13.1084 -10.9150 -10.9150 -4.8268 -4.8268 -3.6038 -3.6038 -3.2937 -3.2937 -2.3272 -2.3272 -0.0397 -0.0397 0.2626 0.2626 0.3057 0.3057 0.4086 0.4086 0.5790 0.5790 1.6409 1.6409 1.9895 1.9895 3.9441 3.9441 7.0611 7.0611 7.5780 7.5780 8.8322 8.8322 k = 0.0000 0.0000 0.1694 ( 10861 PWs) bands (ev): -18.5836 -18.5836 -15.9829 -15.9829 -13.1113 -13.1113 -10.9086 -10.9086 -4.8316 -4.8316 -3.6182 -3.6182 -3.2934 -3.2934 -2.3463 -2.3463 -0.0321 -0.0321 0.3105 0.3105 0.3306 0.3306 0.4165 0.4165 0.5672 0.5672 1.6514 1.6514 1.9993 1.9993 3.8603 3.8603 7.1127 7.1127 7.5831 7.5831 8.7402 8.7402 k = 0.0000 0.0000 0.1824 ( 10861 PWs) bands (ev): -18.5836 -18.5836 -15.9829 -15.9829 -13.1141 -13.1141 -10.9025 -10.9025 -4.8361 -4.8361 -3.6316 -3.6316 -3.2931 -3.2931 -2.3631 -2.3631 -0.0260 -0.0260 0.3153 0.3153 0.3553 0.3553 0.4663 0.4663 0.5559 0.5559 1.6614 1.6614 2.0084 2.0084 3.7787 3.7787 7.1661 7.1661 7.5879 7.5879 8.6464 8.6464 k = 0.0000 0.0000 0.1954 ( 10861 PWs) bands (ev): -18.5835 -18.5835 -15.9829 -15.9829 -13.1166 -13.1166 -10.8969 -10.8969 -4.8404 -4.8404 -3.6439 -3.6439 -3.2929 -3.2929 -2.3776 -2.3776 -0.0208 -0.0208 0.3201 0.3201 0.3543 0.3543 0.5378 0.5378 0.5452 0.5452 1.6707 1.6707 2.0166 2.0166 3.7013 3.7013 7.2206 7.2206 7.5924 7.5924 8.5544 8.5544 k = 0.0000 0.0000 0.2084 ( 10857 PWs) bands (ev): -18.5834 -18.5834 -15.9829 -15.9829 -13.1188 -13.1188 -10.8920 -10.8920 -4.8442 -4.8442 -3.6547 -3.6547 -3.2927 -3.2927 -2.3898 -2.3898 -0.0164 -0.0164 0.3247 0.3247 0.3487 0.3487 0.5353 0.5353 0.6080 0.6080 1.6790 1.6790 2.0239 2.0239 3.6304 3.6304 7.2748 7.2748 7.5965 7.5965 8.4670 8.4670 k = 0.0000 0.0000 0.2215 ( 10845 PWs) bands (ev): -18.5834 -18.5834 -15.9828 -15.9828 -13.1207 -13.1207 -10.8877 -10.8877 -4.8476 -4.8476 -3.6638 -3.6638 -3.2925 -3.2925 -2.3997 -2.3997 -0.0127 -0.0127 0.3290 0.3290 0.3427 0.3427 0.5267 0.5267 0.6707 0.6707 1.6863 1.6863 2.0301 2.0301 3.5679 3.5679 7.3270 7.3270 7.5999 7.5999 8.3870 8.3870 k = 0.0000 0.0000 0.2345 ( 10849 PWs) bands (ev): -18.5834 -18.5834 -15.9828 -15.9828 -13.1222 -13.1222 -10.8844 -10.8844 -4.8502 -4.8502 -3.6711 -3.6711 -3.2923 -3.2923 -2.4073 -2.4073 -0.0098 -0.0098 0.3327 0.3327 0.3375 0.3375 0.5195 0.5195 0.7226 0.7226 1.6922 1.6922 2.0350 2.0350 3.5163 3.5163 7.3745 7.3745 7.6027 7.6027 8.3175 8.3175 k = 0.0000 0.0000 0.2475 ( 10849 PWs) bands (ev): -18.5833 -18.5833 -15.9828 -15.9828 -13.1233 -13.1233 -10.8819 -10.8819 -4.8522 -4.8522 -3.6764 -3.6764 -3.2922 -3.2922 -2.4127 -2.4127 -0.0076 -0.0076 0.3335 0.3335 0.3356 0.3356 0.5141 0.5141 0.7614 0.7614 1.6967 1.6967 2.0386 2.0386 3.4776 3.4776 7.4136 7.4136 7.6048 7.6048 8.2624 8.2624 k = 0.0000 0.0000 0.2606 ( 10834 PWs) bands (ev): -18.5833 -18.5833 -15.9828 -15.9828 -13.1240 -13.1240 -10.8804 -10.8804 -4.8534 -4.8534 -3.6797 -3.6797 -3.2922 -3.2922 -2.4160 -2.4160 -0.0063 -0.0063 0.3310 0.3310 0.3374 0.3374 0.5107 0.5107 0.7855 0.7855 1.6994 1.6994 2.0408 2.0408 3.4536 3.4536 7.4400 7.4400 7.6060 7.6060 8.2265 8.2265 k = 0.0000 0.0000 0.2736 ( 10834 PWs) bands (ev): -18.5833 -18.5833 -15.9828 -15.9828 -13.1242 -13.1242 -10.8799 -10.8799 -4.8539 -4.8539 -3.6807 -3.6807 -3.2921 -3.2921 -2.4171 -2.4171 -0.0058 -0.0058 0.3302 0.3302 0.3381 0.3381 0.5096 0.5096 0.7937 0.7937 1.7003 1.7003 2.0415 2.0415 3.4454 3.4454 7.4493 7.4493 7.6065 7.6065 8.2139 8.2139 k = 0.0000 0.0000 0.2736 ( 10834 PWs) bands (ev): -18.5833 -18.5833 -15.9828 -15.9828 -13.1242 -13.1242 -10.8799 -10.8799 -4.8539 -4.8539 -3.6807 -3.6807 -3.2921 -3.2921 -2.4171 -2.4171 -0.0058 -0.0058 0.3302 0.3302 0.3381 0.3381 0.5096 0.5096 0.7937 0.7937 1.7003 1.7003 2.0415 2.0415 3.4454 3.4454 7.4493 7.4493 7.6065 7.6065 8.2139 8.2139 k = 0.0000 0.0132 0.2736 ( 10830 PWs) bands (ev): -18.5832 -18.5832 -15.9829 -15.9829 -13.1241 -13.1241 -10.8798 -10.8798 -4.8538 -4.8538 -3.6805 -3.6805 -3.2921 -3.2921 -2.4175 -2.4175 -0.0066 -0.0066 0.3286 0.3286 0.3377 0.3377 0.5082 0.5082 0.7937 0.7937 1.6996 1.6996 2.0406 2.0406 3.4461 3.4461 7.4521 7.4521 7.6096 7.6096 8.2165 8.2165 k = 0.0000 0.0263 0.2736 ( 10830 PWs) bands (ev): -18.5828 -18.5828 -15.9832 -15.9832 -13.1237 -13.1237 -10.8795 -10.8795 -4.8535 -4.8535 -3.6797 -3.6797 -3.2922 -3.2922 -2.4189 -2.4189 -0.0088 -0.0088 0.3243 0.3243 0.3363 0.3363 0.5041 0.5041 0.7938 0.7938 1.6973 1.6973 2.0381 2.0381 3.4481 3.4481 7.4603 7.4603 7.6190 7.6190 8.2245 8.2245 k = 0.0000 0.0395 0.2736 ( 10826 PWs) bands (ev): -18.5821 -18.5821 -15.9838 -15.9838 -13.1232 -13.1232 -10.8790 -10.8790 -4.8530 -4.8530 -3.6785 -3.6785 -3.2921 -3.2921 -2.4213 -2.4213 -0.0125 -0.0125 0.3177 0.3177 0.3335 0.3335 0.4972 0.4972 0.7939 0.7939 1.6934 1.6934 2.0339 2.0339 3.4513 3.4513 7.4739 7.4739 7.6345 7.6345 8.2376 8.2376 k = 0.0000 0.0526 0.2736 ( 10832 PWs) bands (ev): -18.5812 -18.5812 -15.9845 -15.9845 -13.1224 -13.1224 -10.8783 -10.8783 -4.8524 -4.8524 -3.6768 -3.6768 -3.2921 -3.2921 -2.4246 -2.4246 -0.0179 -0.0179 0.3092 0.3092 0.3292 0.3292 0.4877 0.4877 0.7940 0.7940 1.6879 1.6879 2.0285 2.0285 3.4558 3.4558 7.4926 7.4926 7.6560 7.6560 8.2558 8.2558 k = 0.0000 0.0658 0.2736 ( 10824 PWs) bands (ev): -18.5800 -18.5800 -15.9854 -15.9854 -13.1213 -13.1213 -10.8775 -10.8775 -4.8516 -4.8516 -3.6747 -3.6747 -3.2919 -3.2919 -2.4288 -2.4288 -0.0251 -0.0251 0.2989 0.2989 0.3237 0.3237 0.4757 0.4757 0.7942 0.7942 1.6805 1.6805 2.0219 2.0219 3.4615 3.4615 7.5161 7.5161 7.6834 7.6834 8.2789 8.2789 k = 0.0000 0.0789 0.2736 ( 10822 PWs) bands (ev): -18.5786 -18.5786 -15.9865 -15.9865 -13.1201 -13.1201 -10.8764 -10.8764 -4.8507 -4.8507 -3.6721 -3.6721 -3.2916 -3.2916 -2.4339 -2.4339 -0.0343 -0.0343 0.2868 0.2868 0.3171 0.3171 0.4613 0.4613 0.7944 0.7944 1.6712 1.6712 2.0146 2.0146 3.4682 3.4682 7.5440 7.5440 7.7164 7.7164 8.3067 8.3067 k = 0.0000 0.0921 0.2736 ( 10828 PWs) bands (ev): -18.5770 -18.5770 -15.9878 -15.9878 -13.1186 -13.1186 -10.8752 -10.8752 -4.8496 -4.8496 -3.6692 -3.6692 -3.2911 -3.2911 -2.4399 -2.4399 -0.0454 -0.0454 0.2730 0.2730 0.3100 0.3100 0.4446 0.4446 0.7947 0.7947 1.6598 1.6598 2.0069 2.0069 3.4758 3.4758 7.5759 7.5759 7.7547 7.7547 8.3391 8.3391 k = 0.0000 0.1053 0.2736 ( 10824 PWs) bands (ev): -18.5751 -18.5751 -15.9893 -15.9893 -13.1170 -13.1170 -10.8738 -10.8738 -4.8485 -4.8485 -3.6660 -3.6660 -3.2903 -3.2903 -2.4468 -2.4468 -0.0588 -0.0588 0.2576 0.2576 0.3026 0.3026 0.4257 0.4257 0.7949 0.7949 1.6461 1.6461 1.9991 1.9991 3.4843 3.4843 7.6111 7.6111 7.7980 7.7980 8.3757 8.3757 k = 0.0000 0.1184 0.2736 ( 10824 PWs) bands (ev): -18.5730 -18.5730 -15.9909 -15.9909 -13.1151 -13.1151 -10.8723 -10.8723 -4.8472 -4.8472 -3.6626 -3.6626 -3.2891 -3.2891 -2.4545 -2.4545 -0.0745 -0.0745 0.2404 0.2404 0.2955 0.2955 0.4050 0.4050 0.7952 0.7952 1.6302 1.6302 1.9917 1.9917 3.4935 3.4935 7.6491 7.6491 7.8459 7.8459 8.4162 8.4162 k = 0.0000 0.1316 0.2736 ( 10836 PWs) bands (ev): -18.5708 -18.5708 -15.9927 -15.9927 -13.1131 -13.1131 -10.8706 -10.8706 -4.8459 -4.8459 -3.6589 -3.6589 -3.2874 -3.2874 -2.4630 -2.4630 -0.0924 -0.0924 0.2216 0.2216 0.2888 0.2888 0.3824 0.3824 0.7954 0.7954 1.6121 1.6121 1.9847 1.9847 3.5034 3.5034 7.6893 7.6893 7.8981 7.8981 8.4605 8.4605 k = 0.0000 0.1447 0.2736 ( 10836 PWs) bands (ev): -18.5683 -18.5683 -15.9947 -15.9947 -13.1110 -13.1110 -10.8688 -10.8688 -4.8445 -4.8445 -3.6551 -3.6551 -3.2852 -3.2852 -2.4723 -2.4723 -0.1125 -0.1125 0.2013 0.2013 0.2830 0.2830 0.3583 0.3583 0.7957 0.7957 1.5917 1.5917 1.9785 1.9785 3.5138 3.5138 7.7308 7.7308 7.9540 7.9540 8.5081 8.5081 k = 0.0000 0.1579 0.2736 ( 10842 PWs) bands (ev): -18.5656 -18.5656 -15.9968 -15.9968 -13.1086 -13.1086 -10.8668 -10.8668 -4.8431 -4.8431 -3.6512 -3.6512 -3.2824 -3.2824 -2.4824 -2.4824 -0.1347 -0.1347 0.1794 0.1794 0.2781 0.2781 0.3329 0.3329 0.7959 0.7959 1.5692 1.5692 1.9731 1.9731 3.5245 3.5245 7.7730 7.7730 8.0133 8.0133 8.5588 8.5588 k = 0.0000 0.1711 0.2736 ( 10846 PWs) bands (ev): -18.5629 -18.5629 -15.9990 -15.9990 -13.1062 -13.1062 -10.8647 -10.8647 -4.8417 -4.8417 -3.6473 -3.6473 -3.2788 -3.2788 -2.4932 -2.4932 -0.1588 -0.1588 0.1562 0.1562 0.2740 0.2740 0.3064 0.3064 0.7962 0.7962 1.5450 1.5450 1.9686 1.9686 3.5356 3.5356 7.8151 7.8151 8.0755 8.0755 8.6123 8.6123 k = 0.0000 0.1842 0.2736 ( 10840 PWs) bands (ev): -18.5599 -18.5599 -16.0013 -16.0013 -13.1036 -13.1036 -10.8626 -10.8626 -4.8404 -4.8404 -3.6434 -3.6434 -3.2745 -3.2745 -2.5046 -2.5046 -0.1845 -0.1845 0.1319 0.1319 0.2695 0.2695 0.2804 0.2804 0.7964 0.7964 1.5191 1.5191 1.9650 1.9650 3.5468 3.5468 7.8564 7.8564 8.1400 8.1400 8.6682 8.6682 k = 0.0000 0.1974 0.2736 ( 10832 PWs) bands (ev): -18.5569 -18.5569 -16.0037 -16.0037 -13.1010 -13.1010 -10.8604 -10.8604 -4.8391 -4.8391 -3.6395 -3.6395 -3.2694 -3.2694 -2.5166 -2.5166 -0.2115 -0.2115 0.1067 0.1067 0.2485 0.2485 0.2708 0.2708 0.7965 0.7965 1.4919 1.4919 1.9623 1.9623 3.5581 3.5581 7.8962 7.8962 8.2064 8.2064 8.7263 8.7263 k = 0.0000 0.2105 0.2736 ( 10838 PWs) bands (ev): -18.5538 -18.5538 -16.0062 -16.0062 -13.0982 -13.0982 -10.8580 -10.8580 -4.8378 -4.8378 -3.6357 -3.6357 -3.2635 -3.2635 -2.5292 -2.5292 -0.2395 -0.2395 0.0806 0.0806 0.2198 0.2198 0.2693 0.2693 0.7967 0.7967 1.4638 1.4638 1.9604 1.9604 3.5695 3.5695 7.9339 7.9339 8.2742 8.2742 8.7864 8.7864 k = 0.0000 0.2237 0.2736 ( 10862 PWs) bands (ev): -18.5505 -18.5505 -16.0088 -16.0088 -13.0954 -13.0954 -10.8557 -10.8557 -4.8366 -4.8366 -3.6320 -3.6320 -3.2568 -3.2568 -2.5423 -2.5423 -0.2682 -0.2682 0.0540 0.0540 0.1903 0.1903 0.2689 0.2689 0.7968 0.7968 1.4349 1.4349 1.9592 1.9592 3.5808 3.5808 7.9690 7.9690 8.3428 8.3428 8.8480 8.8480 k = 0.0000 0.2368 0.2736 ( 10866 PWs) bands (ev): -18.5473 -18.5473 -16.0114 -16.0114 -13.0926 -13.0926 -10.8533 -10.8533 -4.8356 -4.8356 -3.6284 -3.6284 -3.2492 -3.2492 -2.5558 -2.5558 -0.2973 -0.2973 0.0271 0.0271 0.1604 0.1604 0.2692 0.2692 0.7968 0.7968 1.4057 1.4057 1.9586 1.9586 3.5920 3.5920 8.0011 8.0011 8.4118 8.4118 8.9111 8.9111 k = 0.0000 0.2500 0.2736 ( 10886 PWs) bands (ev): -18.5440 -18.5440 -16.0140 -16.0140 -13.0897 -13.0897 -10.8509 -10.8509 -4.8346 -4.8346 -3.6249 -3.6249 -3.2408 -3.2408 -2.5697 -2.5697 -0.3266 -0.3266 -0.0001 -0.0001 0.1304 0.1304 0.2701 0.2701 0.7968 0.7968 1.3764 1.3764 1.9585 1.9585 3.6029 3.6029 8.0300 8.0300 8.4808 8.4808 8.9753 8.9753 k = 0.0000 0.2632 0.2736 ( 10874 PWs) bands (ev): -18.5407 -18.5407 -16.0167 -16.0167 -13.0868 -13.0868 -10.8485 -10.8485 -4.8338 -4.8338 -3.6214 -3.6214 -3.2317 -3.2317 -2.5839 -2.5839 -0.3557 -0.3557 -0.0271 -0.0271 0.1004 0.1004 0.2715 0.2715 0.7967 0.7967 1.3474 1.3474 1.9589 1.9589 3.6137 3.6137 8.0554 8.0554 8.5491 8.5491 9.0404 9.0404 k = 0.0000 0.2763 0.2736 ( 10870 PWs) bands (ev): -18.5374 -18.5374 -16.0193 -16.0193 -13.0840 -13.0840 -10.8461 -10.8461 -4.8331 -4.8331 -3.6181 -3.6181 -3.2219 -3.2219 -2.5983 -2.5983 -0.3845 -0.3845 -0.0539 -0.0539 0.0707 0.0707 0.2734 0.2734 0.7966 0.7966 1.3187 1.3187 1.9597 1.9597 3.6241 3.6241 8.0775 8.0775 8.6165 8.6165 9.1063 9.1063 k = 0.0000 0.2895 0.2736 ( 10862 PWs) bands (ev): -18.5341 -18.5341 -16.0219 -16.0219 -13.0811 -13.0811 -10.8437 -10.8437 -4.8325 -4.8325 -3.6149 -3.6149 -3.2116 -3.2116 -2.6129 -2.6129 -0.4127 -0.4127 -0.0803 -0.0803 0.0413 0.0413 0.2755 0.2755 0.7964 0.7964 1.2908 1.2908 1.9607 1.9607 3.6341 3.6341 8.0963 8.0963 8.6823 8.6823 9.1726 9.1726 k = 0.0000 0.3026 0.2736 ( 10866 PWs) bands (ev): -18.5309 -18.5309 -16.0245 -16.0245 -13.0783 -13.0783 -10.8414 -10.8414 -4.8321 -4.8321 -3.6117 -3.6117 -3.2007 -3.2007 -2.6274 -2.6274 -0.4400 -0.4400 -0.1060 -0.1060 0.0126 0.0126 0.2778 0.2778 0.7961 0.7961 1.2637 1.2637 1.9620 1.9620 3.6438 3.6438 8.1120 8.1120 8.7462 8.7462 9.2394 9.2394 k = 0.0000 0.3158 0.2736 ( 10858 PWs) bands (ev): -18.5278 -18.5278 -16.0270 -16.0270 -13.0757 -13.0757 -10.8392 -10.8392 -4.8318 -4.8318 -3.6086 -3.6086 -3.1895 -3.1895 -2.6420 -2.6420 -0.4664 -0.4664 -0.1309 -0.1309 -0.0153 -0.0153 0.2803 0.2803 0.7958 0.7958 1.2377 1.2377 1.9635 1.9635 3.6530 3.6530 8.1250 8.1250 8.8078 8.8078 9.3062 9.3062 k = 0.0000 0.3289 0.2736 ( 10862 PWs) bands (ev): -18.5248 -18.5248 -16.0294 -16.0294 -13.0730 -13.0730 -10.8370 -10.8370 -4.8316 -4.8316 -3.6055 -3.6055 -3.1780 -3.1780 -2.6564 -2.6564 -0.4915 -0.4915 -0.1549 -0.1549 -0.0423 -0.0423 0.2829 0.2829 0.7953 0.7953 1.2130 1.2130 1.9651 1.9651 3.6618 3.6618 8.1355 8.1355 8.8666 8.8666 9.3730 9.3730 k = 0.0000 0.3421 0.2736 ( 10866 PWs) bands (ev): -18.5219 -18.5219 -16.0317 -16.0317 -13.0705 -13.0705 -10.8349 -10.8349 -4.8315 -4.8315 -3.6025 -3.6025 -3.1664 -3.1664 -2.6706 -2.6706 -0.5154 -0.5154 -0.1777 -0.1777 -0.0682 -0.0682 0.2855 0.2855 0.7948 0.7948 1.1896 1.1896 1.9667 1.9667 3.6700 3.6700 8.1439 8.1439 8.9224 8.9224 9.4393 9.4393 k = 0.0000 0.3553 0.2736 ( 10880 PWs) bands (ev): -18.5192 -18.5192 -16.0339 -16.0339 -13.0682 -13.0682 -10.8329 -10.8329 -4.8315 -4.8315 -3.5996 -3.5996 -3.1549 -3.1549 -2.6844 -2.6844 -0.5378 -0.5378 -0.1993 -0.1993 -0.0927 -0.0927 0.2881 0.2881 0.7942 0.7942 1.1678 1.1678 1.9684 1.9684 3.6777 3.6777 8.1506 8.1506 8.9748 8.9748 9.5050 9.5050 k = 0.0000 0.3684 0.2736 ( 10880 PWs) bands (ev): -18.5166 -18.5166 -16.0360 -16.0360 -13.0660 -13.0660 -10.8311 -10.8311 -4.8316 -4.8316 -3.5968 -3.5968 -3.1434 -3.1434 -2.6977 -2.6977 -0.5586 -0.5586 -0.2194 -0.2194 -0.1158 -0.1158 0.2906 0.2906 0.7935 0.7935 1.1477 1.1477 1.9701 1.9701 3.6848 3.6848 8.1557 8.1557 9.0235 9.0235 9.5696 9.5696 k = 0.0000 0.3816 0.2736 ( 10858 PWs) bands (ev): -18.5142 -18.5142 -16.0379 -16.0379 -13.0639 -13.0639 -10.8294 -10.8294 -4.8318 -4.8318 -3.5940 -3.5940 -3.1323 -3.1323 -2.7105 -2.7105 -0.5777 -0.5777 -0.2380 -0.2380 -0.1373 -0.1373 0.2931 0.2931 0.7928 0.7928 1.1293 1.1293 1.9717 1.9717 3.6913 3.6913 8.1596 8.1596 9.0682 9.0682 9.6326 9.6326 k = 0.0000 0.3947 0.2736 ( 10866 PWs) bands (ev): -18.5120 -18.5120 -16.0397 -16.0397 -13.0620 -13.0620 -10.8278 -10.8278 -4.8320 -4.8320 -3.5915 -3.5915 -3.1217 -3.1217 -2.7225 -2.7225 -0.5951 -0.5951 -0.2549 -0.2549 -0.1570 -0.1570 0.2953 0.2953 0.7920 0.7920 1.1127 1.1127 1.9732 1.9732 3.6972 3.6972 8.1626 8.1626 9.1087 9.1087 9.6935 9.6935 k = 0.0000 0.4079 0.2736 ( 10862 PWs) bands (ev): -18.5101 -18.5101 -16.0413 -16.0413 -13.0603 -13.0603 -10.8264 -10.8264 -4.8322 -4.8322 -3.5891 -3.5891 -3.1117 -3.1117 -2.7337 -2.7337 -0.6105 -0.6105 -0.2701 -0.2701 -0.1747 -0.1747 0.2974 0.2974 0.7912 0.7912 1.0980 1.0980 1.9746 1.9746 3.7024 3.7024 8.1648 8.1648 9.1449 9.1449 9.7514 9.7514 k = 0.0000 0.4211 0.2736 ( 10838 PWs) bands (ev): -18.5083 -18.5083 -16.0427 -16.0427 -13.0588 -13.0588 -10.8251 -10.8251 -4.8325 -4.8325 -3.5869 -3.5869 -3.1024 -3.1024 -2.7439 -2.7439 -0.6241 -0.6241 -0.2835 -0.2835 -0.1904 -0.1904 0.2993 0.2993 0.7904 0.7904 1.0853 1.0853 1.9759 1.9759 3.7070 3.7070 8.1664 8.1664 9.1765 9.1765 9.8054 9.8054 k = 0.0000 0.4342 0.2736 ( 10850 PWs) bands (ev): -18.5068 -18.5068 -16.0439 -16.0439 -13.0575 -13.0575 -10.8241 -10.8241 -4.8327 -4.8327 -3.5850 -3.5850 -3.0942 -3.0942 -2.7529 -2.7529 -0.6357 -0.6357 -0.2949 -0.2949 -0.2039 -0.2039 0.3009 0.3009 0.7897 0.7897 1.0744 1.0744 1.9770 1.9770 3.7109 3.7109 8.1676 8.1676 9.2035 9.2035 9.8546 9.8546 k = 0.0000 0.4474 0.2736 ( 10838 PWs) bands (ev): -18.5056 -18.5056 -16.0449 -16.0449 -13.0565 -13.0565 -10.8232 -10.8232 -4.8330 -4.8330 -3.5834 -3.5834 -3.0871 -3.0871 -2.7606 -2.7606 -0.6452 -0.6452 -0.3044 -0.3044 -0.2151 -0.2151 0.3023 0.3023 0.7890 0.7890 1.0656 1.0656 1.9779 1.9779 3.7141 3.7141 8.1684 8.1684 9.2257 9.2257 9.8976 9.8976 k = 0.0000 0.4605 0.2736 ( 10828 PWs) bands (ev): -18.5046 -18.5046 -16.0457 -16.0457 -13.0556 -13.0556 -10.8225 -10.8225 -4.8331 -4.8331 -3.5821 -3.5821 -3.0814 -3.0814 -2.7668 -2.7668 -0.6526 -0.6526 -0.3118 -0.3118 -0.2239 -0.2239 0.3033 0.3033 0.7884 0.7884 1.0587 1.0587 1.9787 1.9787 3.7167 3.7167 8.1690 8.1690 9.2430 9.2430 9.9331 9.9331 k = 0.0000 0.4737 0.2736 ( 10814 PWs) bands (ev): -18.5039 -18.5039 -16.0462 -16.0462 -13.0550 -13.0550 -10.8220 -10.8220 -4.8333 -4.8333 -3.5812 -3.5812 -3.0772 -3.0772 -2.7714 -2.7714 -0.6580 -0.6580 -0.3171 -0.3171 -0.2302 -0.2302 0.3041 0.3041 0.7880 0.7880 1.0538 1.0538 1.9792 1.9792 3.7185 3.7185 8.1693 8.1693 9.2554 9.2554 9.9597 9.9597 k = 0.0000 0.4868 0.2736 ( 10820 PWs) bands (ev): -18.5035 -18.5035 -16.0466 -16.0466 -13.0547 -13.0547 -10.8217 -10.8217 -4.8334 -4.8334 -3.5806 -3.5806 -3.0746 -3.0746 -2.7742 -2.7742 -0.6612 -0.6612 -0.3203 -0.3203 -0.2341 -0.2341 0.3046 0.3046 0.7877 0.7877 1.0508 1.0508 1.9795 1.9795 3.7195 3.7195 8.1695 8.1695 9.2629 9.2629 9.9763 9.9763 k = 0.0000 0.5000 0.2736 ( 10804 PWs) bands (ev): -18.5033 -18.5033 -16.0467 -16.0467 -13.0545 -13.0545 -10.8216 -10.8216 -4.8334 -4.8334 -3.5804 -3.5804 -3.0737 -3.0737 -2.7751 -2.7751 -0.6622 -0.6622 -0.3214 -0.3214 -0.2354 -0.2354 0.3047 0.3047 0.7876 0.7876 1.0499 1.0499 1.9796 1.9796 3.7199 3.7199 8.1696 8.1696 9.2654 9.2654 9.9819 9.9819 k = 0.0000 0.5000 0.2736 ( 10804 PWs) bands (ev): -18.5033 -18.5033 -16.0467 -16.0467 -13.0545 -13.0545 -10.8216 -10.8216 -4.8334 -4.8334 -3.5804 -3.5804 -3.0737 -3.0737 -2.7751 -2.7751 -0.6622 -0.6622 -0.3214 -0.3214 -0.2354 -0.2354 0.3047 0.3047 0.7876 0.7876 1.0499 1.0499 1.9796 1.9796 3.7199 3.7199 8.1696 8.1696 9.2654 9.2654 9.9819 9.9819 k = 0.0132 0.5000 0.2736 ( 10820 PWs) bands (ev): -18.5033 -18.5033 -16.0466 -16.0466 -13.0544 -13.0544 -10.8215 -10.8215 -4.8340 -4.8340 -3.5808 -3.5808 -3.0763 -3.0763 -2.7750 -2.7750 -0.6623 -0.6623 -0.3188 -0.3188 -0.2338 -0.2338 0.3029 0.3029 0.7877 0.7877 1.0501 1.0501 1.9782 1.9782 3.7199 3.7199 8.1725 8.1725 9.2690 9.2690 9.9800 9.9800 k = 0.0263 0.5000 0.2736 ( 10816 PWs) bands (ev): -18.5032 -18.5032 -16.0461 -16.0461 -13.0541 -13.0541 -10.8211 -10.8211 -4.8357 -4.8357 -3.5821 -3.5821 -3.0839 -3.0839 -2.7745 -2.7745 -0.6626 -0.6626 -0.3111 -0.3111 -0.2290 -0.2290 0.2974 0.2974 0.7878 0.7878 1.0508 1.0508 1.9740 1.9740 3.7198 3.7198 8.1810 8.1810 9.2796 9.2796 9.9743 9.9743 k = 0.0395 0.5000 0.2736 ( 10828 PWs) bands (ev): -18.5031 -18.5031 -16.0454 -16.0454 -13.0536 -13.0536 -10.8206 -10.8206 -4.8385 -4.8385 -3.5842 -3.5842 -3.0964 -3.0964 -2.7737 -2.7737 -0.6630 -0.6630 -0.2984 -0.2984 -0.2212 -0.2212 0.2882 0.2882 0.7881 0.7881 1.0520 1.0520 1.9671 1.9671 3.7196 3.7196 8.1949 8.1949 9.2974 9.2974 9.9645 9.9645 k = 0.0526 0.5000 0.2736 ( 10844 PWs) bands (ev): -18.5029 -18.5029 -16.0445 -16.0445 -13.0528 -13.0528 -10.8198 -10.8198 -4.8425 -4.8425 -3.5872 -3.5872 -3.1135 -3.1135 -2.7726 -2.7726 -0.6636 -0.6636 -0.2809 -0.2809 -0.2103 -0.2103 0.2756 0.2756 0.7885 0.7885 1.0536 1.0536 1.9574 1.9574 3.7193 3.7193 8.2139 8.2139 9.3221 9.3221 9.9480 9.9480 k = 0.0658 0.5000 0.2736 ( 10848 PWs) bands (ev): -18.5026 -18.5026 -16.0433 -16.0433 -13.0519 -13.0519 -10.8188 -10.8188 -4.8476 -4.8476 -3.5910 -3.5910 -3.1348 -3.1348 -2.7711 -2.7711 -0.6644 -0.6644 -0.2591 -0.2591 -0.1965 -0.1965 0.2596 0.2596 0.7889 0.7889 1.0556 1.0556 1.9452 1.9452 3.7189 3.7189 8.2376 8.2376 9.3536 9.3536 9.8944 9.8944 k = 0.0789 0.5000 0.2736 ( 10856 PWs) bands (ev): -18.5023 -18.5023 -16.0418 -16.0418 -13.0508 -13.0508 -10.8176 -10.8176 -4.8539 -4.8539 -3.5955 -3.5955 -3.1599 -3.1599 -2.7694 -2.7694 -0.6652 -0.6652 -0.2333 -0.2333 -0.1799 -0.1799 0.2404 0.2404 0.7895 0.7895 1.0581 1.0581 1.9306 1.9306 3.7185 3.7185 8.2652 8.2652 9.3916 9.3916 9.7997 9.7997 k = 0.0921 0.5000 0.2736 ( 10856 PWs) bands (ev): -18.5020 -18.5020 -16.0400 -16.0400 -13.0494 -13.0494 -10.8161 -10.8161 -4.8612 -4.8612 -3.6009 -3.6009 -3.1883 -3.1883 -2.7674 -2.7674 -0.6662 -0.6662 -0.2039 -0.2039 -0.1606 -0.1606 0.2183 0.2183 0.7902 0.7902 1.0610 1.0610 1.9137 1.9137 3.7180 3.7180 8.2960 8.2960 9.4357 9.4357 9.7025 9.7025 k = 0.1053 0.5000 0.2736 ( 10860 PWs) bands (ev): -18.5016 -18.5016 -16.0381 -16.0381 -13.0479 -13.0479 -10.8145 -10.8145 -4.8696 -4.8696 -3.6072 -3.6072 -3.2194 -3.2194 -2.7651 -2.7651 -0.6673 -0.6673 -0.1714 -0.1714 -0.1389 -0.1389 0.1934 0.1934 0.7909 0.7909 1.0643 1.0643 1.8946 1.8946 3.7174 3.7174 8.3292 8.3292 9.4849 9.4849 9.6069 9.6069 k = 0.1184 0.5000 0.2736 ( 10856 PWs) bands (ev): -18.5011 -18.5011 -16.0359 -16.0359 -13.0462 -13.0462 -10.8127 -10.8127 -4.8791 -4.8791 -3.6143 -3.6143 -3.2526 -3.2526 -2.7626 -2.7626 -0.6685 -0.6685 -0.1362 -0.1362 -0.1149 -0.1149 0.1661 0.1661 0.7917 0.7917 1.0679 1.0679 1.8736 1.8736 3.7166 3.7166 8.3637 8.3637 9.5115 9.5115 9.5395 9.5395 k = 0.1316 0.5000 0.2736 ( 10852 PWs) bands (ev): -18.5006 -18.5006 -16.0335 -16.0335 -13.0444 -13.0444 -10.8107 -10.8107 -4.8896 -4.8896 -3.6225 -3.6225 -3.2872 -3.2872 -2.7598 -2.7598 -0.6698 -0.6698 -0.0988 -0.0988 -0.0887 -0.0887 0.1367 0.1367 0.7926 0.7926 1.0718 1.0718 1.8510 1.8510 3.7158 3.7158 8.3986 8.3986 9.4216 9.4216 9.5901 9.5901 k = 0.1447 0.5000 0.2736 ( 10852 PWs) bands (ev): -18.5001 -18.5001 -16.0309 -16.0309 -13.0424 -13.0424 -10.8086 -10.8086 -4.9011 -4.9011 -3.6320 -3.6320 -3.3224 -3.3224 -2.7568 -2.7568 -0.6713 -0.6713 -0.0614 -0.0614 -0.0590 -0.0590 0.1054 0.1054 0.7935 0.7935 1.0761 1.0761 1.8268 1.8268 3.7148 3.7148 8.4326 8.4326 9.3335 9.3335 9.6309 9.6309 k = 0.1579 0.5000 0.2736 ( 10848 PWs) bands (ev): -18.4995 -18.4995 -16.0281 -16.0281 -13.0403 -13.0403 -10.8063 -10.8063 -4.9135 -4.9135 -3.6430 -3.6430 -3.3575 -3.3575 -2.7536 -2.7536 -0.6728 -0.6728 -0.0313 -0.0313 -0.0192 -0.0192 0.0727 0.0727 0.7945 0.7945 1.0805 1.0805 1.8013 1.8013 3.7137 3.7137 8.4646 8.4646 9.2483 9.2483 9.6466 9.6466 k = 0.1711 0.5000 0.2736 ( 10856 PWs) bands (ev): -18.4989 -18.4989 -16.0252 -16.0252 -13.0380 -13.0380 -10.8039 -10.8039 -4.9268 -4.9268 -3.6560 -3.6560 -3.3914 -3.3914 -2.7502 -2.7502 -0.6746 -0.6746 -0.0004 -0.0004 0.0206 0.0206 0.0404 0.0404 0.7955 0.7955 1.0852 1.0852 1.7749 1.7749 3.7125 3.7125 8.4937 8.4937 9.1662 9.1662 9.6361 9.6361 k = 0.1842 0.5000 0.2736 ( 10860 PWs) bands (ev): -18.4983 -18.4983 -16.0221 -16.0221 -13.0357 -13.0357 -10.8014 -10.8014 -4.9410 -4.9410 -3.6715 -3.6715 -3.4233 -3.4233 -2.7467 -2.7467 -0.6766 -0.6766 0.0017 0.0017 0.0328 0.0328 0.0654 0.0654 0.7966 0.7966 1.0900 1.0900 1.7477 1.7477 3.7112 3.7112 8.5188 8.5188 9.0875 9.0875 9.6105 9.6105 k = 0.1974 0.5000 0.2736 ( 10844 PWs) bands (ev): -18.4977 -18.4977 -16.0189 -16.0189 -13.0332 -13.0332 -10.7988 -10.7988 -4.9559 -4.9559 -3.6899 -3.6899 -3.4521 -3.4521 -2.7430 -2.7430 -0.6787 -0.6787 -0.0334 -0.0334 0.0657 0.0657 0.1074 0.1074 0.7977 0.7977 1.0949 1.0949 1.7199 1.7199 3.7097 3.7097 8.5392 8.5392 9.0124 9.0124 9.5774 9.5774 k = 0.2105 0.5000 0.2736 ( 10844 PWs) bands (ev): -18.4970 -18.4970 -16.0156 -16.0156 -13.0307 -13.0307 -10.7961 -10.7961 -4.9714 -4.9714 -3.7117 -3.7117 -3.4773 -3.4773 -2.7392 -2.7392 -0.6812 -0.6812 -0.0694 -0.0694 0.0997 0.0997 0.1496 0.1496 0.7989 0.7989 1.0998 1.0998 1.6919 1.6919 3.7081 3.7081 8.5545 8.5545 8.9409 8.9409 9.5404 9.5404 k = 0.2237 0.5000 0.2736 ( 10840 PWs) bands (ev): -18.4963 -18.4963 -16.0122 -16.0122 -13.0281 -13.0281 -10.7933 -10.7933 -4.9875 -4.9875 -3.7369 -3.7369 -3.4983 -3.4983 -2.7353 -2.7353 -0.6839 -0.6839 -0.1054 -0.1054 0.1341 0.1341 0.1914 0.1914 0.8001 0.8001 1.1047 1.1047 1.6639 1.6639 3.7063 3.7063 8.5644 8.5644 8.8731 8.8731 9.5012 9.5012 k = 0.2368 0.5000 0.2736 ( 10844 PWs) bands (ev): -18.4956 -18.4956 -16.0088 -16.0088 -13.0255 -13.0255 -10.7905 -10.7905 -5.0040 -5.0040 -3.7650 -3.7650 -3.5154 -3.5154 -2.7314 -2.7314 -0.6869 -0.6869 -0.1411 -0.1411 0.1687 0.1687 0.2327 0.2327 0.8014 0.8014 1.1095 1.1095 1.6360 1.6360 3.7045 3.7045 8.5689 8.5689 8.8093 8.8093 9.4606 9.4606 k = 0.2500 0.5000 0.2736 ( 10844 PWs) bands (ev): -18.4949 -18.4949 -16.0054 -16.0054 -13.0229 -13.0229 -10.7877 -10.7877 -5.0208 -5.0208 -3.7954 -3.7954 -3.5289 -3.5289 -2.7274 -2.7274 -0.6904 -0.6904 -0.1763 -0.1763 0.2033 0.2033 0.2732 0.2732 0.8026 0.8026 1.1141 1.1141 1.6087 1.6087 3.7024 3.7024 8.5684 8.5684 8.7495 8.7495 9.4195 9.4195 k = 0.2632 0.5000 0.2736 ( 10844 PWs) bands (ev): -18.4942 -18.4942 -16.0019 -16.0019 -13.0202 -13.0202 -10.7849 -10.7849 -5.0379 -5.0379 -3.8273 -3.8273 -3.5394 -3.5394 -2.7234 -2.7234 -0.6942 -0.6942 -0.2105 -0.2105 0.2377 0.2377 0.3126 0.3126 0.8040 0.8040 1.1184 1.1184 1.5821 1.5821 3.7003 3.7003 8.5632 8.5632 8.6938 8.6938 9.3783 9.3783 k = 0.2763 0.5000 0.2736 ( 10848 PWs) bands (ev): -18.4935 -18.4935 -15.9985 -15.9985 -13.0176 -13.0176 -10.7821 -10.7821 -5.0551 -5.0551 -3.8598 -3.8598 -3.5475 -3.5475 -2.7194 -2.7194 -0.6984 -0.6984 -0.2437 -0.2437 0.2715 0.2715 0.3507 0.3507 0.8053 0.8053 1.1223 1.1223 1.5564 1.5564 3.6980 3.6980 8.5539 8.5539 8.6424 8.6424 9.3373 9.3373 k = 0.2895 0.5000 0.2736 ( 10852 PWs) bands (ev): -18.4929 -18.4929 -15.9951 -15.9951 -13.0150 -13.0150 -10.7793 -10.7793 -5.0722 -5.0722 -3.8924 -3.8924 -3.5537 -3.5537 -2.7154 -2.7154 -0.7032 -0.7032 -0.2754 -0.2754 0.3046 0.3046 0.3874 0.3874 0.8068 0.8068 1.1258 1.1258 1.5319 1.5319 3.6956 3.6956 8.5409 8.5409 8.5955 8.5955 9.2970 9.2970 k = 0.3026 0.5000 0.2736 ( 10856 PWs) bands (ev): -18.4922 -18.4922 -15.9918 -15.9918 -13.0125 -13.0125 -10.7766 -10.7766 -5.0891 -5.0891 -3.9244 -3.9244 -3.5584 -3.5584 -2.7115 -2.7115 -0.7085 -0.7085 -0.3054 -0.3054 0.3367 0.3367 0.4225 0.4225 0.8084 0.8084 1.1288 1.1288 1.5089 1.5089 3.6932 3.6932 8.5241 8.5241 8.5540 8.5540 9.2576 9.2576 k = 0.3158 0.5000 0.2736 ( 10868 PWs) bands (ev): -18.4916 -18.4916 -15.9885 -15.9885 -13.0100 -13.0100 -10.7739 -10.7739 -5.1057 -5.1057 -3.9555 -3.9555 -3.5619 -3.5619 -2.7077 -2.7077 -0.7143 -0.7143 -0.3336 -0.3336 0.3677 0.3677 0.4559 0.4559 0.8100 0.8100 1.1312 1.1312 1.4873 1.4873 3.6906 3.6906 8.5011 8.5011 8.5209 8.5209 9.2195 9.2195 k = 0.3289 0.5000 0.2736 ( 10856 PWs) bands (ev): -18.4909 -18.4909 -15.9854 -15.9854 -13.0076 -13.0076 -10.7713 -10.7713 -5.1219 -5.1219 -3.9854 -3.9854 -3.5645 -3.5645 -2.7041 -2.7041 -0.7206 -0.7206 -0.3597 -0.3597 0.3972 0.3972 0.4873 0.4873 0.8118 0.8118 1.1329 1.1329 1.4676 1.4676 3.6881 3.6881 8.4714 8.4714 8.4973 8.4973 9.1828 9.1828 k = 0.3421 0.5000 0.2736 ( 10864 PWs) bands (ev): -18.4903 -18.4903 -15.9824 -15.9824 -13.0053 -13.0053 -10.7689 -10.7689 -5.1376 -5.1376 -4.0136 -4.0136 -3.5663 -3.5663 -2.7006 -2.7006 -0.7274 -0.7274 -0.3837 -0.3837 0.4251 0.4251 0.5166 0.5166 0.8138 0.8138 1.1339 1.1339 1.4497 1.4497 3.6855 3.6855 8.4421 8.4421 8.4768 8.4768 9.1478 9.1478 k = 0.3553 0.5000 0.2736 ( 10868 PWs) bands (ev): -18.4898 -18.4898 -15.9795 -15.9795 -13.0031 -13.0031 -10.7666 -10.7666 -5.1525 -5.1525 -4.0402 -4.0402 -3.5675 -3.5675 -2.6972 -2.6972 -0.7346 -0.7346 -0.4053 -0.4053 0.4514 0.4514 0.5437 0.5437 0.8160 0.8160 1.1341 1.1341 1.4338 1.4338 3.6830 3.6830 8.4160 8.4160 8.4570 8.4570 9.1148 9.1148 k = 0.3684 0.5000 0.2736 ( 10876 PWs) bands (ev): -18.4892 -18.4892 -15.9769 -15.9769 -13.0011 -13.0011 -10.7644 -10.7644 -5.1665 -5.1665 -4.0648 -4.0648 -3.5683 -3.5683 -2.6941 -2.6941 -0.7422 -0.7422 -0.4246 -0.4246 0.4757 0.4757 0.5683 0.5683 0.8185 0.8185 1.1337 1.1337 1.4198 1.4198 3.6805 3.6805 8.3935 8.3935 8.4379 8.4379 9.0836 9.0836 k = 0.3816 0.5000 0.2736 ( 10880 PWs) bands (ev): -18.4887 -18.4887 -15.9744 -15.9744 -12.9992 -12.9992 -10.7623 -10.7623 -5.1797 -5.1797 -4.0874 -4.0874 -3.5687 -3.5687 -2.6912 -2.6912 -0.7499 -0.7499 -0.4417 -0.4417 0.4980 0.4980 0.5905 0.5905 0.8212 0.8212 1.1327 1.1327 1.4079 1.4079 3.6781 3.6781 8.3748 8.3748 8.4195 8.4195 9.0518 9.0518 k = 0.3947 0.5000 0.2736 ( 10884 PWs) bands (ev): -18.4883 -18.4883 -15.9721 -15.9721 -12.9975 -12.9975 -10.7605 -10.7605 -5.1917 -5.1917 -4.1078 -4.1078 -3.5688 -3.5688 -2.6885 -2.6885 -0.7576 -0.7576 -0.4564 -0.4564 0.5182 0.5182 0.6101 0.6101 0.8241 0.8241 1.1311 1.1311 1.3978 1.3978 3.6758 3.6758 8.3597 8.3597 8.4024 8.4024 8.9998 8.9998 k = 0.4079 0.5000 0.2736 ( 10880 PWs) bands (ev): -18.4879 -18.4879 -15.9701 -15.9701 -12.9959 -12.9959 -10.7588 -10.7588 -5.2026 -5.2026 -4.1260 -4.1260 -3.5688 -3.5688 -2.6861 -2.6861 -0.7651 -0.7651 -0.4690 -0.4690 0.5362 0.5362 0.6271 0.6271 0.8272 0.8272 1.1292 1.1292 1.3895 1.3895 3.6737 3.6737 8.3479 8.3479 8.3867 8.3867 8.9466 8.9466 k = 0.4211 0.5000 0.2736 ( 10892 PWs) bands (ev): -18.4875 -18.4875 -15.9683 -15.9683 -12.9946 -12.9946 -10.7573 -10.7573 -5.2123 -5.2123 -4.1419 -4.1419 -3.5686 -3.5686 -2.6839 -2.6839 -0.7722 -0.7722 -0.4795 -0.4795 0.5520 0.5520 0.6414 0.6414 0.8304 0.8304 1.1271 1.1271 1.3828 1.3828 3.6718 3.6718 8.3391 8.3391 8.3727 8.3727 8.8985 8.8985 k = 0.4342 0.5000 0.2736 ( 10888 PWs) bands (ev): -18.4872 -18.4872 -15.9667 -15.9667 -12.9934 -12.9934 -10.7561 -10.7561 -5.2206 -5.2206 -4.1554 -4.1554 -3.5684 -3.5684 -2.6821 -2.6821 -0.7786 -0.7786 -0.4882 -0.4882 0.5653 0.5653 0.6532 0.6532 0.8336 0.8336 1.1250 1.1250 1.3775 1.3775 3.6701 3.6701 8.3329 8.3329 8.3607 8.3607 8.8561 8.8561 k = 0.4474 0.5000 0.2736 ( 10896 PWs) bands (ev): -18.4870 -18.4870 -15.9654 -15.9654 -12.9924 -12.9924 -10.7550 -10.7550 -5.2275 -5.2275 -4.1665 -4.1665 -3.5681 -3.5681 -2.6806 -2.6806 -0.7841 -0.7841 -0.4950 -0.4950 0.5763 0.5763 0.6626 0.6626 0.8366 0.8366 1.1230 1.1230 1.3735 1.3735 3.6686 3.6686 8.3288 8.3288 8.3510 8.3510 8.8200 8.8200 k = 0.4605 0.5000 0.2736 ( 10892 PWs) bands (ev): -18.4868 -18.4868 -15.9644 -15.9644 -12.9917 -12.9917 -10.7542 -10.7542 -5.2329 -5.2329 -4.1752 -4.1752 -3.5679 -3.5679 -2.6794 -2.6794 -0.7886 -0.7886 -0.5003 -0.5003 0.5849 0.5849 0.6696 0.6696 0.8391 0.8391 1.1213 1.1213 1.3705 1.3705 3.6675 3.6675 8.3259 8.3259 8.3439 8.3439 8.7910 8.7910 k = 0.4737 0.5000 0.2736 ( 10896 PWs) bands (ev): -18.4866 -18.4866 -15.9637 -15.9637 -12.9911 -12.9911 -10.7536 -10.7536 -5.2368 -5.2368 -4.1814 -4.1814 -3.5677 -3.5677 -2.6786 -2.6786 -0.7920 -0.7920 -0.5039 -0.5039 0.5911 0.5911 0.6745 0.6745 0.8411 0.8411 1.1200 1.1200 1.3685 1.3685 3.6667 3.6667 8.3237 8.3237 8.3394 8.3394 8.7697 8.7697 k = 0.4868 0.5000 0.2736 ( 10892 PWs) bands (ev): -18.4865 -18.4865 -15.9633 -15.9633 -12.9908 -12.9908 -10.7532 -10.7532 -5.2392 -5.2392 -4.1851 -4.1851 -3.5676 -3.5676 -2.6780 -2.6780 -0.7940 -0.7940 -0.5061 -0.5061 0.5948 0.5948 0.6774 0.6774 0.8424 0.8424 1.1192 1.1192 1.3673 1.3673 3.6662 3.6662 8.3222 8.3222 8.3372 8.3372 8.7566 8.7566 k = 0.5000 0.5000 0.2736 ( 10896 PWs) bands (ev): -18.4865 -18.4865 -15.9631 -15.9631 -12.9907 -12.9907 -10.7531 -10.7531 -5.2400 -5.2400 -4.1864 -4.1864 -3.5675 -3.5675 -2.6779 -2.6779 -0.7947 -0.7947 -0.5068 -0.5068 0.5960 0.5960 0.6783 0.6783 0.8428 0.8428 1.1189 1.1189 1.3670 1.3670 3.6660 3.6660 8.3216 8.3216 8.3365 8.3365 8.7522 8.7522 k = 0.5000 0.5000 0.2736 ( 10896 PWs) bands (ev): -18.4865 -18.4865 -15.9631 -15.9631 -12.9907 -12.9907 -10.7531 -10.7531 -5.2400 -5.2400 -4.1864 -4.1864 -3.5675 -3.5675 -2.6779 -2.6779 -0.7947 -0.7947 -0.5068 -0.5068 0.5960 0.5960 0.6783 0.6783 0.8428 0.8428 1.1189 1.1189 1.3670 1.3670 3.6660 3.6660 8.3216 8.3216 8.3365 8.3365 8.7522 8.7522 k = 0.4907 0.4907 0.2736 ( 10890 PWs) bands (ev): -18.4865 -18.4865 -15.9633 -15.9633 -12.9908 -12.9908 -10.7532 -10.7532 -5.2392 -5.2392 -4.1852 -4.1852 -3.5676 -3.5676 -2.6780 -2.6780 -0.7940 -0.7940 -0.5061 -0.5061 0.5948 0.5948 0.6774 0.6774 0.8424 0.8424 1.1192 1.1192 1.3673 1.3673 3.6662 3.6662 8.3222 8.3222 8.3371 8.3371 8.7566 8.7566 k = 0.4815 0.4815 0.2736 ( 10898 PWs) bands (ev): -18.4866 -18.4866 -15.9637 -15.9637 -12.9911 -12.9911 -10.7536 -10.7536 -5.2369 -5.2369 -4.1815 -4.1815 -3.5677 -3.5677 -2.6785 -2.6785 -0.7920 -0.7920 -0.5040 -0.5040 0.5909 0.5909 0.6747 0.6747 0.8412 0.8412 1.1200 1.1200 1.3685 1.3685 3.6667 3.6667 8.3239 8.3239 8.3392 8.3392 8.7695 8.7695 k = 0.4722 0.4722 0.2736 ( 10886 PWs) bands (ev): -18.4868 -18.4868 -15.9644 -15.9644 -12.9916 -12.9916 -10.7542 -10.7542 -5.2330 -5.2330 -4.1753 -4.1753 -3.5679 -3.5679 -2.6794 -2.6794 -0.7886 -0.7886 -0.5004 -0.5004 0.5842 0.5842 0.6706 0.6706 0.8393 0.8393 1.1214 1.1214 1.3703 1.3703 3.6675 3.6675 8.3266 8.3266 8.3433 8.3433 8.7905 8.7905 k = 0.4630 0.4630 0.2736 ( 10886 PWs) bands (ev): -18.4870 -18.4870 -15.9654 -15.9654 -12.9924 -12.9924 -10.7550 -10.7550 -5.2276 -5.2276 -4.1667 -4.1667 -3.5682 -3.5682 -2.6805 -2.6805 -0.7839 -0.7839 -0.4955 -0.4955 0.5739 0.5739 0.6655 0.6655 0.8369 0.8369 1.1233 1.1233 1.3730 1.3730 3.6685 3.6685 8.3305 8.3305 8.3496 8.3496 8.8188 8.8188 k = 0.4537 0.4537 0.2736 ( 10878 PWs) bands (ev): -18.4872 -18.4872 -15.9666 -15.9666 -12.9934 -12.9934 -10.7560 -10.7560 -5.2209 -5.2209 -4.1557 -4.1557 -3.5685 -3.5685 -2.6818 -2.6818 -0.7778 -0.7778 -0.4893 -0.4893 0.5596 0.5596 0.6599 0.6599 0.8343 0.8343 1.1259 1.1259 1.3764 1.3764 3.6699 3.6699 8.3362 8.3362 8.3583 8.3583 8.8537 8.8537 k = 0.4444 0.4444 0.2736 ( 10888 PWs) bands (ev): -18.4876 -18.4876 -15.9681 -15.9681 -12.9946 -12.9946 -10.7573 -10.7573 -5.2127 -5.2127 -4.1424 -4.1424 -3.5689 -3.5689 -2.6833 -2.6833 -0.7705 -0.7705 -0.4817 -0.4817 0.5408 0.5408 0.6543 0.6543 0.8315 0.8315 1.1290 1.1290 1.3806 1.3806 3.6713 3.6713 8.3443 8.3443 8.3694 8.3694 8.8942 8.8942 k = 0.4352 0.4352 0.2736 ( 10884 PWs) bands (ev): -18.4880 -18.4880 -15.9698 -15.9698 -12.9960 -12.9960 -10.7588 -10.7588 -5.2033 -5.2033 -4.1268 -4.1268 -3.5693 -3.5693 -2.6850 -2.6850 -0.7620 -0.7620 -0.4727 -0.4727 0.5176 0.5176 0.6489 0.6489 0.8289 0.8289 1.1327 1.1327 1.3856 1.3856 3.6729 3.6729 8.3555 8.3555 8.3827 8.3827 8.9396 8.9396 k = 0.4259 0.4259 0.2736 ( 10880 PWs) bands (ev): -18.4885 -18.4885 -15.9718 -15.9718 -12.9976 -12.9976 -10.7605 -10.7605 -5.1927 -5.1927 -4.1089 -4.1089 -3.5697 -3.5697 -2.6867 -2.6867 -0.7522 -0.7522 -0.4625 -0.4625 0.4899 0.4899 0.6438 0.6438 0.8263 0.8263 1.1371 1.1371 1.3913 1.3913 3.6746 3.6746 8.3701 8.3701 8.3983 8.3983 8.9889 8.9889 k = 0.4167 0.4167 0.2736 ( 10866 PWs) bands (ev): -18.4891 -18.4891 -15.9739 -15.9739 -12.9994 -12.9994 -10.7624 -10.7624 -5.1810 -5.1810 -4.0890 -4.0890 -3.5701 -3.5701 -2.6883 -2.6883 -0.7413 -0.7413 -0.4511 -0.4511 0.4582 0.4582 0.6389 0.6389 0.8240 0.8240 1.1420 1.1420 1.3978 1.3978 3.6762 3.6762 8.3885 8.3885 8.4160 8.4160 9.0402 9.0402 k = 0.4074 0.4074 0.2736 ( 10858 PWs) bands (ev): -18.4897 -18.4897 -15.9761 -15.9761 -13.0014 -13.0014 -10.7645 -10.7645 -5.1683 -5.1683 -4.0670 -4.0670 -3.5703 -3.5703 -2.6899 -2.6899 -0.7293 -0.7293 -0.4385 -0.4385 0.4230 0.4230 0.6341 0.6341 0.8219 0.8219 1.1477 1.1477 1.4052 1.4052 3.6778 3.6778 8.4108 8.4108 8.4361 8.4361 9.0752 9.0752 k = 0.3981 0.3981 0.2736 ( 10858 PWs) bands (ev): -18.4905 -18.4905 -15.9785 -15.9785 -13.0035 -13.0035 -10.7668 -10.7668 -5.1549 -5.1549 -4.0431 -4.0431 -3.5705 -3.5705 -2.6913 -2.6913 -0.7163 -0.7163 -0.4247 -0.4247 0.3847 0.3847 0.6293 0.6293 0.8200 0.8200 1.1539 1.1539 1.4133 1.4133 3.6792 3.6792 8.4369 8.4369 8.4587 8.4587 9.1028 9.1028 k = 0.3889 0.3889 0.2736 ( 10856 PWs) bands (ev): -18.4913 -18.4913 -15.9809 -15.9809 -13.0059 -13.0059 -10.7693 -10.7693 -5.1406 -5.1406 -4.0176 -4.0176 -3.5704 -3.5704 -2.6924 -2.6924 -0.7022 -0.7022 -0.4099 -0.4099 0.3439 0.3439 0.6244 0.6244 0.8183 0.8183 1.1609 1.1609 1.4223 1.4223 3.6804 3.6804 8.4660 8.4660 8.4848 8.4848 9.1311 9.1311 k = 0.3796 0.3796 0.2736 ( 10860 PWs) bands (ev): -18.4923 -18.4923 -15.9835 -15.9835 -13.0084 -13.0084 -10.7719 -10.7719 -5.1258 -5.1258 -3.9907 -3.9907 -3.5699 -3.5699 -2.6931 -2.6931 -0.6871 -0.6871 -0.3940 -0.3940 0.3011 0.3011 0.6193 0.6193 0.8167 0.8167 1.1685 1.1685 1.4320 1.4320 3.6814 3.6814 8.4963 8.4963 8.5163 8.5163 9.1598 9.1598 k = 0.3704 0.3704 0.2736 ( 10854 PWs) bands (ev): -18.4934 -18.4934 -15.9860 -15.9860 -13.0111 -13.0111 -10.7747 -10.7747 -5.1105 -5.1105 -3.9626 -3.9626 -3.5690 -3.5690 -2.6934 -2.6934 -0.6712 -0.6712 -0.3771 -0.3771 0.2569 0.2569 0.6142 0.6142 0.8153 0.8153 1.1768 1.1768 1.4425 1.4425 3.6820 3.6820 8.5263 8.5263 8.5546 8.5546 9.1886 9.1886 k = 0.3611 0.3611 0.2736 ( 10854 PWs) bands (ev): -18.4946 -18.4946 -15.9886 -15.9886 -13.0140 -13.0140 -10.7776 -10.7776 -5.0949 -5.0949 -3.9337 -3.9337 -3.5675 -3.5675 -2.6931 -2.6931 -0.6543 -0.6543 -0.3593 -0.3593 0.2117 0.2117 0.6088 0.6088 0.8141 0.8141 1.1857 1.1857 1.4538 1.4538 3.6823 3.6823 8.5567 8.5567 8.5990 8.5990 9.2169 9.2169 k = 0.3519 0.3519 0.2736 ( 10846 PWs) bands (ev): -18.4960 -18.4960 -15.9911 -15.9911 -13.0170 -13.0170 -10.7807 -10.7807 -5.0791 -5.0791 -3.9043 -3.9043 -3.5651 -3.5651 -2.6923 -2.6923 -0.6367 -0.6367 -0.3407 -0.3407 0.1661 0.1661 0.6033 0.6033 0.8129 0.8129 1.1953 1.1953 1.4659 1.4659 3.6822 3.6822 8.5883 8.5883 8.6486 8.6486 9.2442 9.2442 k = 0.3426 0.3426 0.2736 ( 10832 PWs) bands (ev): -18.4974 -18.4974 -15.9936 -15.9936 -13.0201 -13.0201 -10.7838 -10.7838 -5.0631 -5.0631 -3.8750 -3.8750 -3.5616 -3.5616 -2.6909 -2.6909 -0.6184 -0.6184 -0.3212 -0.3212 0.1206 0.1206 0.5975 0.5975 0.8119 0.8119 1.2056 1.2056 1.4788 1.4788 3.6816 3.6816 8.6213 8.6213 8.7030 8.7030 9.2697 9.2697 k = 0.3333 0.3333 0.2736 ( 10840 PWs) bands (ev): -18.4990 -18.4990 -15.9960 -15.9960 -13.0234 -13.0234 -10.7871 -10.7871 -5.0472 -5.0472 -3.8464 -3.8464 -3.5566 -3.5566 -2.6887 -2.6887 -0.5993 -0.5993 -0.3011 -0.3011 0.0758 0.0758 0.5916 0.5916 0.8109 0.8109 1.2166 1.2166 1.4924 1.4924 3.6806 3.6806 8.6558 8.6558 8.7619 8.7619 9.2930 9.2930 k = 0.3241 0.3241 0.2736 ( 10844 PWs) bands (ev): -18.5008 -18.5008 -15.9982 -15.9982 -13.0268 -13.0268 -10.7905 -10.7905 -5.0314 -5.0314 -3.8191 -3.8191 -3.5497 -3.5497 -2.6858 -2.6858 -0.5796 -0.5796 -0.2802 -0.2802 0.0322 0.0322 0.5855 0.5855 0.8100 0.8100 1.2282 1.2282 1.5067 1.5067 3.6791 3.6791 8.6920 8.6920 8.8249 8.8249 9.3132 9.3132 k = 0.3148 0.3148 0.2736 ( 10844 PWs) bands (ev): -18.5027 -18.5027 -16.0004 -16.0004 -13.0302 -13.0302 -10.7940 -10.7940 -5.0158 -5.0158 -3.7938 -3.7938 -3.5405 -3.5405 -2.6822 -2.6822 -0.5593 -0.5593 -0.2588 -0.2588 -0.0097 -0.0097 0.5793 0.5793 0.8092 0.8092 1.2405 1.2405 1.5217 1.5217 3.6771 3.6771 8.7296 8.7296 8.8917 8.8917 9.3299 9.3299 k = 0.3056 0.3056 0.2736 ( 10832 PWs) bands (ev): -18.5047 -18.5047 -16.0023 -16.0023 -13.0338 -13.0338 -10.7975 -10.7975 -5.0006 -5.0006 -3.7711 -3.7711 -3.5287 -3.5287 -2.6777 -2.6777 -0.5386 -0.5386 -0.2369 -0.2369 -0.0494 -0.0494 0.5729 0.5729 0.8084 0.8084 1.2535 1.2535 1.5373 1.5373 3.6747 3.6747 8.7688 8.7688 8.9615 8.9615 9.3422 9.3422 k = 0.2963 0.2963 0.2736 ( 10846 PWs) bands (ev): -18.5068 -18.5068 -16.0041 -16.0041 -13.0375 -13.0375 -10.8011 -10.8011 -4.9859 -4.9859 -3.7514 -3.7514 -3.5142 -3.5142 -2.6725 -2.6725 -0.5173 -0.5173 -0.2146 -0.2146 -0.0862 -0.0862 0.5664 0.5664 0.8077 0.8077 1.2671 1.2671 1.5536 1.5536 3.6716 3.6716 8.8093 8.8093 9.0328 9.0328 9.3497 9.3497 k = 0.2870 0.2870 0.2736 ( 10850 PWs) bands (ev): -18.5091 -18.5091 -16.0056 -16.0056 -13.0412 -13.0412 -10.8048 -10.8048 -4.9716 -4.9716 -3.7350 -3.7350 -3.4971 -3.4971 -2.6664 -2.6664 -0.4956 -0.4956 -0.1923 -0.1923 -0.1195 -0.1195 0.5598 0.5598 0.8070 0.8070 1.2812 1.2812 1.5705 1.5705 3.6681 3.6681 8.8512 8.8512 9.1025 9.1025 9.3519 9.3519 k = 0.2778 0.2778 0.2736 ( 10866 PWs) bands (ev): -18.5116 -18.5116 -16.0070 -16.0070 -13.0450 -13.0450 -10.8084 -10.8084 -4.9579 -4.9579 -3.7216 -3.7216 -3.4778 -3.4778 -2.6596 -2.6596 -0.4736 -0.4736 -0.1721 -0.1721 -0.1466 -0.1466 0.5532 0.5532 0.8063 0.8063 1.2960 1.2960 1.5880 1.5880 3.6641 3.6641 8.8944 8.8944 9.1602 9.1602 9.3480 9.3480 k = 0.2685 0.2685 0.2736 ( 10860 PWs) bands (ev): -18.5141 -18.5141 -16.0081 -16.0081 -13.0488 -13.0488 -10.8121 -10.8121 -4.9450 -4.9450 -3.7110 -3.7110 -3.4571 -3.4571 -2.6520 -2.6520 -0.4514 -0.4514 -0.1797 -0.1797 -0.1415 -0.1415 0.5465 0.5465 0.8056 0.8056 1.3113 1.3113 1.6059 1.6059 3.6595 3.6595 8.9386 8.9386 9.1794 9.1794 9.3377 9.3377 k = 0.2593 0.2593 0.2736 ( 10868 PWs) bands (ev): -18.5168 -18.5168 -16.0090 -16.0090 -13.0527 -13.0527 -10.8158 -10.8158 -4.9327 -4.9327 -3.7024 -3.7024 -3.4358 -3.4358 -2.6438 -2.6438 -0.4289 -0.4289 -0.1999 -0.1999 -0.1192 -0.1192 0.5398 0.5398 0.8050 0.8050 1.3272 1.3272 1.6244 1.6244 3.6545 3.6545 8.9839 8.9839 9.1436 9.1436 9.3222 9.3222 k = 0.2500 0.2500 0.2736 ( 10856 PWs) bands (ev): -18.5196 -18.5196 -16.0096 -16.0096 -13.0566 -13.0566 -10.8195 -10.8195 -4.9212 -4.9212 -3.6955 -3.6955 -3.4146 -3.4146 -2.6349 -2.6349 -0.4063 -0.4063 -0.2163 -0.2163 -0.0957 -0.0957 0.5332 0.5332 0.8044 0.8044 1.3435 1.3435 1.6432 1.6432 3.6489 3.6489 9.0297 9.0297 9.0771 9.0771 9.3008 9.3008 k = 0.2407 0.2407 0.2736 ( 10846 PWs) bands (ev): -18.5225 -18.5225 -16.0100 -16.0100 -13.0605 -13.0605 -10.8232 -10.8232 -4.9106 -4.9106 -3.6899 -3.6899 -3.3943 -3.3943 -2.6254 -2.6254 -0.3836 -0.3836 -0.2278 -0.2278 -0.0718 -0.0718 0.5266 0.5266 0.8038 0.8038 1.3603 1.3603 1.6624 1.6624 3.6429 3.6429 8.9964 8.9964 9.0768 9.0768 9.2737 9.2737 k = 0.2315 0.2315 0.2736 ( 10844 PWs) bands (ev): -18.5255 -18.5255 -16.0101 -16.0101 -13.0643 -13.0643 -10.8268 -10.8268 -4.9008 -4.9008 -3.6852 -3.6852 -3.3752 -3.3752 -2.6155 -2.6155 -0.3610 -0.3610 -0.2341 -0.2341 -0.0479 -0.0479 0.5201 0.5201 0.8032 0.8032 1.3774 1.3774 1.6819 1.6819 3.6364 3.6364 8.9097 8.9097 9.1226 9.1226 9.2418 9.2418 k = 0.2222 0.2222 0.2736 ( 10860 PWs) bands (ev): -18.5286 -18.5286 -16.0100 -16.0100 -13.0682 -13.0682 -10.8304 -10.8304 -4.8919 -4.8919 -3.6811 -3.6811 -3.3579 -3.3579 -2.6052 -2.6052 -0.3386 -0.3386 -0.2349 -0.2349 -0.0240 -0.0240 0.5137 0.5137 0.8027 0.8027 1.3949 1.3949 1.7016 1.7016 3.6294 3.6294 8.8194 8.8194 9.1605 9.1605 9.2060 9.2060 k = 0.2130 0.2130 0.2736 ( 10860 PWs) bands (ev): -18.5318 -18.5318 -16.0097 -16.0097 -13.0720 -13.0720 -10.8339 -10.8339 -4.8839 -4.8839 -3.6775 -3.6775 -3.3425 -3.3425 -2.5945 -2.5945 -0.3164 -0.3164 -0.2302 -0.2302 -0.0002 -0.0002 0.5075 0.5075 0.8021 0.8021 1.4127 1.4127 1.7215 1.7215 3.6220 3.6220 8.7273 8.7273 9.1015 9.1015 9.1488 9.1488 k = 0.2037 0.2037 0.2736 ( 10870 PWs) bands (ev): -18.5349 -18.5349 -16.0091 -16.0091 -13.0758 -13.0758 -10.8374 -10.8374 -4.8768 -4.8768 -3.6742 -3.6742 -3.3293 -3.3293 -2.5836 -2.5836 -0.2946 -0.2946 -0.2200 -0.2200 0.0233 0.0233 0.5015 0.5015 0.8016 0.8016 1.4306 1.4306 1.7415 1.7415 3.6142 3.6142 8.6349 8.6349 8.9851 8.9851 9.1054 9.1054 k = 0.1944 0.1944 0.2736 ( 10862 PWs) bands (ev): -18.5382 -18.5382 -16.0083 -16.0083 -13.0795 -13.0795 -10.8408 -10.8408 -4.8706 -4.8706 -3.6714 -3.6714 -3.3181 -3.3181 -2.5726 -2.5726 -0.2732 -0.2732 -0.2046 -0.2046 0.0467 0.0467 0.4956 0.4956 0.8011 0.8011 1.4487 1.4487 1.7616 1.7616 3.6060 3.6060 8.5431 8.5431 8.8717 8.8717 9.0560 9.0560 k = 0.1852 0.1852 0.2736 ( 10850 PWs) bands (ev): -18.5414 -18.5414 -16.0074 -16.0074 -13.0832 -13.0832 -10.8441 -10.8441 -4.8652 -4.8652 -3.6688 -3.6688 -3.3091 -3.3091 -2.5616 -2.5616 -0.2523 -0.2523 -0.1841 -0.1841 0.0696 0.0696 0.4901 0.4901 0.8005 0.8005 1.4668 1.4668 1.7816 1.7816 3.5974 3.5974 8.4526 8.4526 8.7619 8.7619 9.0032 9.0032 k = 0.1759 0.1759 0.2736 ( 10850 PWs) bands (ev): -18.5447 -18.5447 -16.0062 -16.0062 -13.0867 -13.0867 -10.8473 -10.8473 -4.8607 -4.8607 -3.6665 -3.6665 -3.3020 -3.3020 -2.5505 -2.5505 -0.2319 -0.2319 -0.1593 -0.1593 0.0922 0.0922 0.4848 0.4848 0.8000 0.8000 1.4849 1.4849 1.8015 1.8015 3.5885 3.5885 8.3640 8.3640 8.6561 8.6561 8.9481 8.9481 k = 0.1667 0.1667 0.2736 ( 10846 PWs) bands (ev): -18.5479 -18.5479 -16.0049 -16.0049 -13.0902 -13.0902 -10.8504 -10.8504 -4.8569 -4.8569 -3.6645 -3.6645 -3.2967 -3.2967 -2.5395 -2.5395 -0.2118 -0.2118 -0.1305 -0.1305 0.1143 0.1143 0.4799 0.4799 0.7995 0.7995 1.5028 1.5028 1.8212 1.8212 3.5792 3.5792 8.2779 8.2779 8.5544 8.5544 8.8915 8.8915 k = 0.1574 0.1574 0.2736 ( 10848 PWs) bands (ev): -18.5511 -18.5511 -16.0035 -16.0035 -13.0935 -13.0935 -10.8534 -10.8534 -4.8539 -4.8539 -3.6629 -3.6629 -3.2929 -3.2929 -2.5286 -2.5286 -0.1921 -0.1921 -0.0985 -0.0985 0.1358 0.1358 0.4753 0.4753 0.7990 0.7990 1.5205 1.5205 1.8407 1.8407 3.5697 3.5697 8.1946 8.1946 8.4571 8.4571 8.8341 8.8341 k = 0.1481 0.1481 0.2736 ( 10856 PWs) bands (ev): -18.5543 -18.5543 -16.0020 -16.0020 -13.0968 -13.0968 -10.8562 -10.8562 -4.8516 -4.8516 -3.6618 -3.6618 -3.2905 -3.2905 -2.5179 -2.5179 -0.1730 -0.1730 -0.0637 -0.0637 0.1566 0.1566 0.4711 0.4711 0.7986 0.7986 1.5380 1.5380 1.8599 1.8599 3.5600 3.5600 8.1146 8.1146 8.3643 8.3643 8.7766 8.7766 k = 0.1389 0.1389 0.2736 ( 10848 PWs) bands (ev): -18.5573 -18.5573 -16.0003 -16.0003 -13.0999 -13.0999 -10.8589 -10.8589 -4.8498 -4.8498 -3.6611 -3.6611 -3.2891 -3.2891 -2.5074 -2.5074 -0.1546 -0.1546 -0.0268 -0.0268 0.1767 0.1767 0.4675 0.4675 0.7981 0.7981 1.5550 1.5550 1.8785 1.8785 3.5502 3.5502 8.0381 8.0381 8.2761 8.2761 8.7195 8.7195 k = 0.1296 0.1296 0.2736 ( 10852 PWs) bands (ev): -18.5603 -18.5603 -15.9987 -15.9987 -13.1028 -13.1028 -10.8615 -10.8615 -4.8487 -4.8487 -3.6608 -3.6608 -3.2885 -3.2885 -2.4972 -2.4972 -0.1368 -0.1368 0.0115 0.0115 0.1960 0.1960 0.4644 0.4644 0.7976 0.7976 1.5715 1.5715 1.8967 1.8967 3.5402 3.5402 7.9655 7.9655 8.1928 8.1928 8.6634 8.6634 k = 0.1204 0.1204 0.2736 ( 10836 PWs) bands (ev): -18.5632 -18.5632 -15.9970 -15.9970 -13.1056 -13.1056 -10.8640 -10.8640 -4.8480 -4.8480 -3.6611 -3.6611 -3.2886 -3.2886 -2.4874 -2.4874 -0.1200 -0.1200 0.0505 0.0505 0.2145 0.2145 0.4619 0.4619 0.7972 0.7972 1.5874 1.5874 1.9143 1.9143 3.5302 3.5302 7.8970 7.8970 8.1145 8.1145 8.6088 8.6088 k = 0.1111 0.1111 0.2736 ( 10842 PWs) bands (ev): -18.5659 -18.5659 -15.9953 -15.9953 -13.1082 -13.1082 -10.8663 -10.8663 -4.8478 -4.8478 -3.6618 -3.6618 -3.2889 -3.2889 -2.4780 -2.4780 -0.1040 -0.1040 0.0894 0.0894 0.2320 0.2320 0.4603 0.4603 0.7967 0.7967 1.6026 1.6026 1.9311 1.9311 3.5203 3.5203 7.8328 7.8328 8.0413 8.0413 8.5562 8.5562 k = 0.1019 0.1019 0.2736 ( 10850 PWs) bands (ev): -18.5685 -18.5685 -15.9936 -15.9936 -13.1107 -13.1107 -10.8684 -10.8684 -4.8478 -4.8478 -3.6630 -3.6630 -3.2895 -3.2895 -2.4691 -2.4691 -0.0891 -0.0891 0.1274 0.1274 0.2485 0.2485 0.4595 0.4595 0.7963 0.7963 1.6171 1.6171 1.9471 1.9471 3.5105 3.5105 7.7731 7.7731 7.9734 7.9734 8.5061 8.5061 k = 0.0926 0.0926 0.2736 ( 10842 PWs) bands (ev): -18.5709 -18.5709 -15.9920 -15.9920 -13.1130 -13.1130 -10.8703 -10.8703 -4.8482 -4.8482 -3.6646 -3.6646 -3.2901 -3.2901 -2.4607 -2.4607 -0.0752 -0.0752 0.1637 0.1637 0.2640 0.2640 0.4599 0.4599 0.7959 0.7959 1.6306 1.6306 1.9622 1.9622 3.5010 3.5010 7.7181 7.7181 7.9109 7.9109 8.4589 8.4589 k = 0.0833 0.0833 0.2736 ( 10826 PWs) bands (ev): -18.5732 -18.5732 -15.9904 -15.9904 -13.1151 -13.1151 -10.8721 -10.8721 -4.8488 -4.8488 -3.6664 -3.6664 -3.2907 -3.2907 -2.4529 -2.4529 -0.0624 -0.0624 0.1974 0.1974 0.2783 0.2783 0.4615 0.4615 0.7955 0.7955 1.6432 1.6432 1.9763 1.9763 3.4918 3.4918 7.6678 7.6678 7.8540 7.8540 8.4149 8.4149 k = 0.0741 0.0741 0.2736 ( 10812 PWs) bands (ev): -18.5752 -18.5752 -15.9889 -15.9889 -13.1169 -13.1169 -10.8737 -10.8737 -4.8495 -4.8495 -3.6686 -3.6686 -3.2912 -3.2912 -2.4457 -2.4457 -0.0508 -0.0508 0.2277 0.2277 0.2914 0.2914 0.4646 0.4646 0.7951 0.7951 1.6547 1.6547 1.9893 1.9893 3.4831 3.4831 7.6226 7.6226 7.8027 7.8027 8.3746 8.3746 k = 0.0648 0.0648 0.2736 ( 10820 PWs) bands (ev): -18.5771 -18.5771 -15.9876 -15.9876 -13.1186 -13.1186 -10.8752 -10.8752 -4.8502 -4.8502 -3.6708 -3.6708 -3.2916 -3.2916 -2.4392 -2.4392 -0.0405 -0.0405 0.2540 0.2540 0.3031 0.3031 0.4694 0.4694 0.7948 0.7948 1.6651 1.6651 2.0010 2.0010 3.4750 3.4750 7.5823 7.5823 7.7571 7.7571 8.3382 8.3382 k = 0.0556 0.0556 0.2736 ( 10814 PWs) bands (ev): -18.5787 -18.5787 -15.9864 -15.9864 -13.1201 -13.1201 -10.8764 -10.8764 -4.8510 -4.8510 -3.6730 -3.6730 -3.2919 -3.2919 -2.4335 -2.4335 -0.0314 -0.0314 0.2759 0.2759 0.3133 0.3133 0.4756 0.4756 0.7945 0.7945 1.6742 1.6742 2.0114 2.0114 3.4676 3.4676 7.5473 7.5473 7.7174 7.7174 8.3060 8.3060 k = 0.0463 0.0463 0.2736 ( 10810 PWs) bands (ev): -18.5801 -18.5801 -15.9853 -15.9853 -13.1213 -13.1213 -10.8775 -10.8775 -4.8518 -4.8518 -3.6751 -3.6751 -3.2921 -3.2921 -2.4286 -2.4286 -0.0237 -0.0237 0.2934 0.2934 0.3219 0.3219 0.4831 0.4831 0.7943 0.7943 1.6821 1.6821 2.0204 2.0204 3.4612 3.4612 7.5175 7.5175 7.6837 7.6837 8.2783 8.2783 k = 0.0370 0.0370 0.2736 ( 10816 PWs) bands (ev): -18.5812 -18.5812 -15.9844 -15.9844 -13.1224 -13.1224 -10.8784 -10.8784 -4.8525 -4.8525 -3.6770 -3.6770 -3.2921 -3.2921 -2.4245 -2.4245 -0.0173 -0.0173 0.3069 0.3069 0.3286 0.3286 0.4909 0.4909 0.7941 0.7941 1.6886 1.6886 2.0279 2.0279 3.4557 3.4557 7.4930 7.4930 7.6560 7.6560 8.2554 8.2554 k = 0.0278 0.0278 0.2736 ( 10828 PWs) bands (ev): -18.5821 -18.5821 -15.9837 -15.9837 -13.1232 -13.1232 -10.8790 -10.8790 -4.8531 -4.8531 -3.6786 -3.6786 -3.2922 -3.2922 -2.4212 -2.4212 -0.0123 -0.0123 0.3170 0.3170 0.3333 0.3333 0.4983 0.4983 0.7939 0.7939 1.6937 1.6937 2.0338 2.0338 3.4513 3.4513 7.4739 7.4739 7.6344 7.6344 8.2373 8.2373 k = 0.0185 0.0185 0.2736 ( 10832 PWs) bands (ev): -18.5828 -18.5828 -15.9832 -15.9832 -13.1237 -13.1237 -10.8795 -10.8795 -4.8535 -4.8535 -3.6798 -3.6798 -3.2922 -3.2922 -2.4189 -2.4189 -0.0087 -0.0087 0.3242 0.3242 0.3363 0.3363 0.5043 0.5043 0.7938 0.7938 1.6974 1.6974 2.0381 2.0381 3.4480 3.4480 7.4603 7.4603 7.6189 7.6189 8.2244 8.2244 k = 0.0093 0.0093 0.2736 ( 10830 PWs) bands (ev): -18.5832 -18.5832 -15.9829 -15.9829 -13.1241 -13.1241 -10.8798 -10.8798 -4.8538 -4.8538 -3.6805 -3.6805 -3.2921 -3.2921 -2.4175 -2.4175 -0.0066 -0.0066 0.3286 0.3286 0.3377 0.3377 0.5082 0.5082 0.7937 0.7937 1.6996 1.6996 2.0406 2.0406 3.4461 3.4461 7.4521 7.4521 7.6096 7.6096 8.2165 8.2165 k = 0.0000 0.0000 0.2736 ( 10834 PWs) bands (ev): -18.5833 -18.5833 -15.9828 -15.9828 -13.1242 -13.1242 -10.8799 -10.8799 -4.8539 -4.8539 -3.6807 -3.6807 -3.2921 -3.2921 -2.4171 -2.4171 -0.0058 -0.0058 0.3302 0.3302 0.3381 0.3381 0.5096 0.5096 0.7937 0.7937 1.7003 1.7003 2.0415 2.0415 3.4454 3.4454 7.4493 7.4493 7.6065 7.6065 8.2139 8.2139 k = 0.0000 0.5000-0.0000 ( 10910 PWs) bands (ev): -18.5043 -18.5043 -16.0467 -16.0467 -13.0214 -13.0214 -10.8915 -10.8915 -4.8465 -4.8465 -3.6159 -3.6159 -3.0785 -3.0785 -1.8640 -1.8640 -0.9648 -0.9648 -0.6548 -0.6548 -0.3407 -0.3407 -0.0210 -0.0210 0.5004 0.5004 1.0388 1.0388 1.8729 1.8729 4.5564 4.5564 8.7718 8.7718 8.8065 8.8065 9.3188 9.3188 k = 0.0000 0.5000 0.0130 ( 10908 PWs) bands (ev): -18.5043 -18.5043 -16.0467 -16.0467 -13.0216 -13.0216 -10.8911 -10.8911 -4.8464 -4.8464 -3.6158 -3.6158 -3.0785 -3.0785 -1.8734 -1.8734 -0.9632 -0.9632 -0.6435 -0.6435 -0.3402 -0.3402 -0.0220 -0.0220 0.4994 0.4994 1.0388 1.0388 1.8735 1.8735 4.5526 4.5526 8.7740 8.7740 8.7973 8.7973 9.3302 9.3302 k = 0.0000 0.5000 0.0261 ( 10906 PWs) bands (ev): -18.5042 -18.5042 -16.0467 -16.0467 -13.0221 -13.0221 -10.8899 -10.8899 -4.8463 -4.8463 -3.6155 -3.6155 -3.0786 -3.0786 -1.9004 -1.9004 -0.9589 -0.9589 -0.6106 -0.6106 -0.3388 -0.3388 -0.0251 -0.0251 0.4965 0.4965 1.0385 1.0385 1.8754 1.8754 4.5412 4.5412 8.7716 8.7716 8.7808 8.7808 9.3623 9.3623 k = 0.0000 0.5000 0.0391 ( 10902 PWs) bands (ev): -18.5042 -18.5042 -16.0467 -16.0467 -13.0231 -13.0231 -10.8880 -10.8880 -4.8459 -4.8459 -3.6149 -3.6149 -3.0787 -3.0787 -1.9421 -1.9421 -0.9520 -0.9520 -0.5589 -0.5589 -0.3366 -0.3366 -0.0302 -0.0302 0.4916 0.4916 1.0382 1.0382 1.8784 1.8784 4.5224 4.5224 8.7346 8.7346 8.7917 8.7917 9.4102 9.4102 k = 0.0000 0.5000 0.0521 ( 10888 PWs) bands (ev): -18.5042 -18.5042 -16.0467 -16.0467 -13.0243 -13.0243 -10.8854 -10.8854 -4.8455 -4.8455 -3.6142 -3.6142 -3.0788 -3.0788 -1.9947 -1.9947 -0.9430 -0.9430 -0.4919 -0.4919 -0.3334 -0.3334 -0.0371 -0.0371 0.4850 0.4850 1.0378 1.0378 1.8826 1.8826 4.4964 4.4964 8.6907 8.6907 8.8070 8.8070 9.4696 9.4696 k = 0.0000 0.5000 0.0651 ( 10888 PWs) bands (ev): -18.5041 -18.5041 -16.0467 -16.0467 -13.0259 -13.0259 -10.8821 -10.8821 -4.8449 -4.8449 -3.6132 -3.6132 -3.0789 -3.0789 -2.0547 -2.0547 -0.9321 -0.9321 -0.4135 -0.4135 -0.3294 -0.3294 -0.0456 -0.0456 0.4768 0.4768 1.0372 1.0372 1.8877 1.8877 4.4635 4.4635 8.6433 8.6433 8.8262 8.8262 9.5371 9.5371 k = 0.0000 0.5000 0.0782 ( 10880 PWs) bands (ev): -18.5041 -18.5041 -16.0467 -16.0467 -13.0278 -13.0278 -10.8783 -10.8783 -4.8443 -4.8443 -3.6120 -3.6120 -3.0790 -3.0790 -2.1193 -2.1193 -0.9194 -0.9194 -0.3282 -0.3282 -0.3239 -0.3239 -0.0550 -0.0550 0.4671 0.4671 1.0366 1.0366 1.8937 1.8937 4.4242 4.4242 8.5946 8.5946 8.8492 8.8492 9.5816 9.5816 k = 0.0000 0.5000 0.0912 ( 10880 PWs) bands (ev): -18.5040 -18.5040 -16.0467 -16.0467 -13.0298 -13.0298 -10.8739 -10.8739 -4.8435 -4.8435 -3.6105 -3.6105 -3.0791 -3.0791 -2.1860 -2.1860 -0.9049 -0.9049 -0.3193 -0.3193 -0.2384 -0.2384 -0.0632 -0.0632 0.4562 0.4562 1.0359 1.0359 1.9005 1.9005 4.3791 4.3791 8.5462 8.5462 8.8756 8.8756 9.6008 9.6008 k = 0.0000 0.5000 0.1042 ( 10866 PWs) bands (ev): -18.5040 -18.5040 -16.0467 -16.0467 -13.0321 -13.0321 -10.8692 -10.8692 -4.8427 -4.8427 -3.6087 -3.6087 -3.0791 -3.0791 -2.2530 -2.2530 -0.8887 -0.8887 -0.3133 -0.3133 -0.1598 -0.1598 -0.0589 -0.0589 0.4444 0.4444 1.0353 1.0353 1.9077 1.9077 4.3287 4.3287 8.4989 8.4989 8.9052 8.9052 9.6229 9.6229 k = 0.0000 0.5000 0.1172 ( 10870 PWs) bands (ev): -18.5039 -18.5039 -16.0467 -16.0467 -13.0345 -13.0345 -10.8642 -10.8642 -4.8418 -4.8418 -3.6067 -3.6067 -3.0792 -3.0792 -2.3191 -2.3191 -0.8710 -0.8710 -0.3066 -0.3066 -0.1312 -0.1312 -0.0044 -0.0044 0.4321 0.4321 1.0346 1.0346 1.9154 1.9154 4.2740 4.2740 8.4536 8.4536 8.9373 8.9373 9.6478 9.6478 k = 0.0000 0.5000 0.1303 ( 10874 PWs) bands (ev): -18.5038 -18.5038 -16.0467 -16.0467 -13.0369 -13.0369 -10.8591 -10.8591 -4.8409 -4.8409 -3.6045 -3.6045 -3.0791 -3.0791 -2.3832 -2.3832 -0.8519 -0.8519 -0.2996 -0.2996 -0.1387 -0.1387 0.0847 0.0847 0.4198 0.4198 1.0341 1.0341 1.9233 1.9233 4.2156 4.2156 8.4106 8.4106 8.9715 8.9715 9.6754 9.6754 k = 0.0000 0.5000 0.1433 ( 10864 PWs) bands (ev): -18.5038 -18.5038 -16.0467 -16.0467 -13.0394 -13.0394 -10.8538 -10.8538 -4.8399 -4.8399 -3.6020 -3.6020 -3.0790 -3.0790 -2.4443 -2.4443 -0.8317 -0.8317 -0.2924 -0.2924 -0.1546 -0.1546 0.1785 0.1785 0.4086 0.4086 1.0337 1.0337 1.9312 1.9312 4.1547 4.1547 8.3705 8.3705 9.0073 9.0073 9.7055 9.7055 k = 0.0000 0.5000 0.1563 ( 10864 PWs) bands (ev): -18.5037 -18.5037 -16.0467 -16.0467 -13.0419 -13.0419 -10.8487 -10.8487 -4.8389 -4.8389 -3.5993 -3.5993 -3.0787 -3.0787 -2.5019 -2.5019 -0.8105 -0.8105 -0.2851 -0.2851 -0.1732 -0.1732 0.2672 0.2672 0.4019 0.4019 1.0336 1.0336 1.9390 1.9390 4.0925 4.0925 8.3335 8.3335 9.0439 9.0439 9.7378 9.7378 k = 0.0000 0.5000 0.1694 ( 10854 PWs) bands (ev): -18.5036 -18.5036 -16.0467 -16.0467 -13.0442 -13.0442 -10.8437 -10.8437 -4.8379 -4.8379 -3.5965 -3.5965 -3.0783 -3.0783 -2.5552 -2.5552 -0.7887 -0.7887 -0.2780 -0.2780 -0.1931 -0.1931 0.3307 0.3307 0.4173 0.4173 1.0339 1.0339 1.9465 1.9465 4.0302 4.0302 8.2999 8.2999 9.0806 9.0806 9.7719 9.7719 k = 0.0000 0.5000 0.1824 ( 10852 PWs) bands (ev): -18.5036 -18.5036 -16.0467 -16.0467 -13.0464 -13.0464 -10.8390 -10.8390 -4.8370 -4.8370 -3.5936 -3.5936 -3.0778 -3.0778 -2.6038 -2.6038 -0.7667 -0.7667 -0.2717 -0.2717 -0.2131 -0.2131 0.3437 0.3437 0.4784 0.4784 1.0346 1.0346 1.9535 1.9535 3.9694 3.9694 8.2699 8.2699 9.1165 9.1165 9.8072 9.8072 k = 0.0000 0.5000 0.1954 ( 10838 PWs) bands (ev): -18.5035 -18.5035 -16.0467 -16.0467 -13.0484 -13.0484 -10.8347 -10.8347 -4.8361 -4.8361 -3.5907 -3.5907 -3.0772 -3.0772 -2.6473 -2.6473 -0.7448 -0.7448 -0.2676 -0.2676 -0.2313 -0.2313 0.3380 0.3380 0.5518 0.5518 1.0358 1.0358 1.9599 1.9599 3.9115 3.9115 8.2436 8.2436 9.1508 9.1508 9.8428 9.8428 k = 0.0000 0.5000 0.2084 ( 10834 PWs) bands (ev): -18.5035 -18.5035 -16.0467 -16.0467 -13.0502 -13.0502 -10.8309 -10.8309 -4.8353 -4.8353 -3.5880 -3.5880 -3.0765 -3.0765 -2.6850 -2.6850 -0.7238 -0.7238 -0.2706 -0.2706 -0.2424 -0.2424 0.3296 0.3296 0.6202 0.6202 1.0378 1.0378 1.9657 1.9657 3.8582 3.8582 8.2212 8.2212 9.1824 9.1824 9.8778 9.8778 k = 0.0000 0.5000 0.2215 ( 10826 PWs) bands (ev): -18.5034 -18.5034 -16.0467 -16.0467 -13.0517 -13.0517 -10.8276 -10.8276 -4.8347 -4.8347 -3.5855 -3.5855 -3.0757 -3.0757 -2.7167 -2.7167 -0.7043 -0.7043 -0.2832 -0.2832 -0.2431 -0.2431 0.3214 0.3214 0.6790 0.6790 1.0404 1.0404 1.9705 1.9705 3.8114 3.8114 8.2027 8.2027 9.2103 9.2103 9.9105 9.9105 k = 0.0000 0.5000 0.2345 ( 10822 PWs) bands (ev): -18.5034 -18.5034 -16.0467 -16.0467 -13.0529 -13.0529 -10.8250 -10.8250 -4.8341 -4.8341 -3.5834 -3.5834 -3.0750 -3.0750 -2.7419 -2.7419 -0.6873 -0.6873 -0.2979 -0.2979 -0.2405 -0.2405 0.3144 0.3144 0.7262 0.7262 1.0435 1.0435 1.9744 1.9744 3.7728 3.7728 8.1883 8.1883 9.2335 9.2335 9.9393 9.9393 k = 0.0000 0.5000 0.2475 ( 10804 PWs) bands (ev): -18.5034 -18.5034 -16.0467 -16.0467 -13.0538 -13.0538 -10.8231 -10.8231 -4.8337 -4.8337 -3.5818 -3.5818 -3.0743 -3.0743 -2.7602 -2.7602 -0.6739 -0.6739 -0.3103 -0.3103 -0.2378 -0.2378 0.3091 0.3091 0.7603 0.7603 1.0466 1.0466 1.9773 1.9773 3.7439 3.7439 8.1779 8.1779 9.2509 9.2509 9.9620 9.9620 k = 0.0000 0.5000 0.2606 ( 10808 PWs) bands (ev): -18.5033 -18.5033 -16.0467 -16.0467 -13.0544 -13.0544 -10.8220 -10.8220 -4.8335 -4.8335 -3.5808 -3.5808 -3.0739 -3.0739 -2.7714 -2.7714 -0.6652 -0.6652 -0.3185 -0.3185 -0.2360 -0.2360 0.3059 0.3059 0.7808 0.7808 1.0490 1.0490 1.9790 1.9790 3.7260 3.7260 8.1717 8.1717 9.2617 9.2617 9.9768 9.9768 k = 0.0000 0.5000 0.2736 ( 10804 PWs) bands (ev): -18.5033 -18.5033 -16.0467 -16.0467 -13.0545 -13.0545 -10.8216 -10.8216 -4.8334 -4.8334 -3.5804 -3.5804 -3.0737 -3.0737 -2.7751 -2.7751 -0.6622 -0.6622 -0.3214 -0.3214 -0.2354 -0.2354 0.3047 0.3047 0.7876 0.7876 1.0499 1.0499 1.9796 1.9796 3.7199 3.7199 8.1696 8.1696 9.2654 9.2654 9.9819 9.9819 k = 0.5000 0.5000-0.0000 ( 10808 PWs) bands (ev): -18.4874 -18.4874 -15.9631 -15.9631 -12.9577 -12.9577 -10.8241 -10.8241 -5.2425 -5.2425 -4.1953 -4.1953 -3.5684 -3.5684 -1.9157 -1.9157 -0.7107 -0.7107 -0.5527 -0.5527 -0.4120 -0.4120 0.6752 0.6752 0.7908 0.7908 0.8143 0.8143 1.1074 1.1074 4.6881 4.6881 7.7704 7.7704 9.1152 9.1152 9.1488 9.1488 k = 0.5000 0.5000 0.0130 ( 10800 PWs) bands (ev): -18.4874 -18.4874 -15.9631 -15.9631 -12.9579 -12.9579 -10.8237 -10.8237 -5.2425 -5.2425 -4.1952 -4.1952 -3.5684 -3.5684 -1.9233 -1.9233 -0.7085 -0.7085 -0.5454 -0.5454 -0.4126 -0.4126 0.6744 0.6744 0.7867 0.7867 0.8197 0.8197 1.1092 1.1092 4.6831 4.6831 7.7728 7.7728 9.1087 9.1087 9.1417 9.1417 k = 0.5000 0.5000 0.0261 ( 10808 PWs) bands (ev): -18.4873 -18.4873 -15.9631 -15.9631 -12.9584 -12.9584 -10.8225 -10.8225 -5.2425 -5.2425 -4.1951 -4.1951 -3.5684 -3.5684 -1.9453 -1.9453 -0.7034 -0.7034 -0.5226 -0.5226 -0.4143 -0.4143 0.6722 0.6722 0.7790 0.7790 0.8311 0.8311 1.1144 1.1144 4.6684 4.6684 7.7803 7.7803 9.0898 9.0898 9.1207 9.1207 k = 0.5000 0.5000 0.0391 ( 10816 PWs) bands (ev): -18.4873 -18.4873 -15.9631 -15.9631 -12.9593 -12.9593 -10.8206 -10.8206 -5.2424 -5.2424 -4.1948 -4.1948 -3.5684 -3.5684 -1.9797 -1.9797 -0.6992 -0.6992 -0.4828 -0.4828 -0.4170 -0.4170 0.6688 0.6688 0.7712 0.7712 0.8449 0.8449 1.1229 1.1229 4.6442 4.6442 7.7927 7.7927 9.0596 9.0596 9.0875 9.0875 k = 0.5000 0.5000 0.0521 ( 10844 PWs) bands (ev): -18.4873 -18.4873 -15.9631 -15.9631 -12.9606 -12.9606 -10.8179 -10.8179 -5.2423 -5.2423 -4.1945 -4.1945 -3.5683 -3.5683 -2.0237 -2.0237 -0.6977 -0.6977 -0.4268 -0.4268 -0.4207 -0.4207 0.6642 0.6642 0.7641 0.7641 0.8602 0.8602 1.1343 1.1343 4.6108 4.6108 7.8100 7.8100 9.0199 9.0199 9.0441 9.0441 k = 0.5000 0.5000 0.0651 ( 10860 PWs) bands (ev): -18.4873 -18.4873 -15.9631 -15.9631 -12.9622 -12.9622 -10.8146 -10.8146 -5.2422 -5.2422 -4.1941 -4.1941 -3.5683 -3.5683 -2.0743 -2.0743 -0.6993 -0.6993 -0.4254 -0.4254 -0.3571 -0.3571 0.6589 0.6589 0.7579 0.7579 0.8767 0.8767 1.1481 1.1481 4.5689 4.5689 7.8322 7.8322 8.9727 8.9727 8.9929 8.9929 k = 0.5000 0.5000 0.0782 ( 10860 PWs) bands (ev): -18.4872 -18.4872 -15.9631 -15.9631 -12.9640 -12.9640 -10.8107 -10.8107 -5.2420 -5.2420 -4.1936 -4.1936 -3.5682 -3.5682 -2.1293 -2.1293 -0.7034 -0.7034 -0.4308 -0.4308 -0.2771 -0.2771 0.6531 0.6531 0.7525 0.7525 0.8941 0.8941 1.1639 1.1639 4.5191 4.5191 7.8594 7.8594 8.9201 8.9201 8.9363 8.9363 k = 0.5000 0.5000 0.0912 ( 10852 PWs) bands (ev): -18.4872 -18.4872 -15.9631 -15.9631 -12.9661 -12.9661 -10.8063 -10.8063 -5.2419 -5.2419 -4.1931 -4.1931 -3.5682 -3.5682 -2.1863 -2.1863 -0.7093 -0.7093 -0.4368 -0.4368 -0.1894 -0.1894 0.6469 0.6469 0.7480 0.7480 0.9123 0.9123 1.1813 1.1813 4.4623 4.4623 7.8914 7.8914 8.8640 8.8640 8.8762 8.8762 k = 0.5000 0.5000 0.1042 ( 10872 PWs) bands (ev): -18.4871 -18.4871 -15.9631 -15.9631 -12.9683 -12.9683 -10.8015 -10.8015 -5.2417 -5.2417 -4.1925 -4.1925 -3.5681 -3.5681 -2.2438 -2.2438 -0.7165 -0.7165 -0.4434 -0.4434 -0.0967 -0.0967 0.6407 0.6407 0.7442 0.7442 0.9311 0.9311 1.1997 1.1997 4.3995 4.3995 7.9283 7.9283 8.8061 8.8061 8.8145 8.8145 k = 0.5000 0.5000 0.1172 ( 10880 PWs) bands (ev): -18.4870 -18.4870 -15.9631 -15.9631 -12.9707 -12.9707 -10.7965 -10.7965 -5.2415 -5.2415 -4.1918 -4.1918 -3.5681 -3.5681 -2.3005 -2.3005 -0.7245 -0.7245 -0.4503 -0.4503 -0.0009 -0.0009 0.6346 0.6346 0.7413 0.7413 0.9501 0.9501 1.2187 1.2187 4.3316 4.3316 7.9700 7.9700 8.7478 8.7478 8.7528 8.7528 k = 0.5000 0.5000 0.1303 ( 10892 PWs) bands (ev): -18.4870 -18.4870 -15.9631 -15.9631 -12.9731 -12.9731 -10.7912 -10.7912 -5.2413 -5.2413 -4.1912 -4.1912 -3.5680 -3.5680 -2.3552 -2.3552 -0.7330 -0.7330 -0.4573 -0.4573 0.0961 0.0961 0.6288 0.6288 0.7391 0.7391 0.9693 0.9693 1.2379 1.2379 4.2599 4.2599 8.0164 8.0164 8.6905 8.6905 8.6924 8.6924 k = 0.5000 0.5000 0.1433 ( 10868 PWs) bands (ev): -18.4869 -18.4869 -15.9631 -15.9631 -12.9756 -12.9756 -10.7859 -10.7859 -5.2412 -5.2412 -4.1905 -4.1905 -3.5679 -3.5679 -2.4072 -2.4072 -0.7417 -0.7417 -0.4644 -0.4644 0.1925 0.1925 0.6233 0.6233 0.7377 0.7377 0.9883 0.9883 1.2569 1.2569 4.1857 4.1857 8.0676 8.0676 8.6343 8.6343 8.6353 8.6353 k = 0.5000 0.5000 0.1563 ( 10868 PWs) bands (ev): -18.4868 -18.4868 -15.9631 -15.9631 -12.9780 -12.9780 -10.7807 -10.7807 -5.2410 -5.2410 -4.1899 -4.1899 -3.5679 -3.5679 -2.4558 -2.4558 -0.7503 -0.7503 -0.4713 -0.4713 0.2865 0.2865 0.6182 0.6182 0.7374 0.7374 1.0069 1.0069 1.2753 1.2753 4.1103 4.1103 8.1234 8.1234 8.5795 8.5795 8.5829 8.5829 k = 0.5000 0.5000 0.1694 ( 10892 PWs) bands (ev): -18.4868 -18.4868 -15.9631 -15.9631 -12.9804 -12.9804 -10.7756 -10.7756 -5.2408 -5.2408 -4.1892 -4.1892 -3.5678 -3.5678 -2.5005 -2.5005 -0.7586 -0.7586 -0.4779 -0.4779 0.3761 0.3761 0.6136 0.6136 0.7384 0.7384 1.0250 1.0250 1.2927 1.2927 4.0353 4.0353 8.1838 8.1838 8.5287 8.5287 8.5343 8.5343 k = 0.5000 0.5000 0.1824 ( 10868 PWs) bands (ev): -18.4867 -18.4867 -15.9631 -15.9631 -12.9826 -12.9826 -10.7708 -10.7708 -5.2406 -5.2406 -4.1886 -4.1886 -3.5678 -3.5678 -2.5408 -2.5408 -0.7663 -0.7663 -0.4841 -0.4841 0.4589 0.4589 0.6095 0.6095 0.7413 0.7413 1.0424 1.0424 1.3089 1.3089 3.9623 3.9623 8.2486 8.2486 8.4826 8.4826 8.4900 8.4900 k = 0.5000 0.5000 0.1954 ( 10868 PWs) bands (ev): -18.4867 -18.4867 -15.9631 -15.9631 -12.9846 -12.9846 -10.7664 -10.7664 -5.2405 -5.2405 -4.1881 -4.1881 -3.5677 -3.5677 -2.5764 -2.5764 -0.7734 -0.7734 -0.4898 -0.4898 0.5319 0.5319 0.6059 0.6059 0.7473 0.7473 1.0589 1.0589 1.3235 1.3235 3.8932 3.8932 8.3174 8.3174 8.4421 8.4421 8.4506 8.4506 k = 0.5000 0.5000 0.2084 ( 10884 PWs) bands (ev): -18.4866 -18.4866 -15.9631 -15.9631 -12.9863 -12.9863 -10.7626 -10.7626 -5.2403 -5.2403 -4.1876 -4.1876 -3.5677 -3.5677 -2.6069 -2.6069 -0.7796 -0.7796 -0.4948 -0.4948 0.5912 0.5912 0.6029 0.6029 0.7585 0.7585 1.0744 1.0744 1.3363 1.3363 3.8299 3.8299 8.3845 8.3845 8.4130 8.4130 8.4165 8.4165 k = 0.5000 0.5000 0.2215 ( 10884 PWs) bands (ev): -18.4866 -18.4866 -15.9631 -15.9631 -12.9879 -12.9879 -10.7593 -10.7593 -5.2402 -5.2402 -4.1872 -4.1872 -3.5676 -3.5676 -2.6322 -2.6322 -0.7849 -0.7849 -0.4990 -0.4990 0.6004 0.6004 0.6331 0.6331 0.7767 0.7767 1.0884 1.0884 1.3471 1.3471 3.7744 3.7744 8.3740 8.3740 8.3881 8.3881 8.4713 8.4713 k = 0.5000 0.5000 0.2345 ( 10900 PWs) bands (ev): -18.4865 -18.4865 -15.9631 -15.9631 -12.9891 -12.9891 -10.7566 -10.7566 -5.2401 -5.2401 -4.1868 -4.1868 -3.5676 -3.5676 -2.6521 -2.6521 -0.7891 -0.7891 -0.5023 -0.5023 0.5985 0.5985 0.6578 0.6578 0.8001 0.8001 1.1007 1.1007 1.3557 1.3557 3.7286 3.7286 8.3516 8.3516 8.3657 8.3657 8.5511 8.5511 k = 0.5000 0.5000 0.2475 ( 10896 PWs) bands (ev): -18.4865 -18.4865 -15.9631 -15.9631 -12.9899 -12.9899 -10.7547 -10.7547 -5.2400 -5.2400 -4.1866 -4.1866 -3.5676 -3.5676 -2.6664 -2.6664 -0.7922 -0.7922 -0.5048 -0.5048 0.5971 0.5971 0.6707 0.6707 0.8222 0.8222 1.1104 1.1104 1.3619 1.3619 3.6944 3.6944 8.3350 8.3350 8.3495 8.3495 8.6330 8.6330 k = 0.5000 0.5000 0.2606 ( 10920 PWs) bands (ev): -18.4865 -18.4865 -15.9631 -15.9631 -12.9905 -12.9905 -10.7535 -10.7535 -5.2400 -5.2400 -4.1864 -4.1864 -3.5676 -3.5676 -2.6750 -2.6750 -0.7941 -0.7941 -0.5063 -0.5063 0.5963 0.5963 0.6766 0.6766 0.8375 0.8375 1.1167 1.1167 1.3657 1.3657 3.6732 3.6732 8.3250 8.3250 8.3398 8.3398 8.7103 8.7103 k = 0.5000 0.5000 0.2736 ( 10896 PWs) bands (ev): -18.4865 -18.4865 -15.9631 -15.9631 -12.9907 -12.9907 -10.7531 -10.7531 -5.2400 -5.2400 -4.1864 -4.1864 -3.5675 -3.5675 -2.6779 -2.6779 -0.7947 -0.7947 -0.5068 -0.5068 0.5960 0.5960 0.6783 0.6783 0.8428 0.8428 1.1189 1.1189 1.3670 1.3670 3.6660 3.6660 8.3216 8.3216 8.3365 8.3365 8.7522 8.7522 Writing output data file CsBr2F.save init_run : 1.16s CPU 1.56s WALL ( 1 calls) electrons : 170.07s CPU 176.00s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.19s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 170.06s CPU 175.99s 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 : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.10s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.12s CPU 0.15s WALL ( 332 calls) cegterg : 155.38s CPU 156.93s WALL ( 440 calls) Called by sum_band: Called by *egterg: h_psi : 104.19s CPU 105.88s WALL ( 7191 calls) s_psi : 2.63s CPU 2.67s WALL ( 7191 calls) g_psi : 0.46s CPU 0.44s WALL ( 6419 calls) cdiaghg : 34.10s CPU 34.39s WALL ( 6751 calls) cegterg:over : 7.88s CPU 7.85s WALL ( 6419 calls) cegterg:upda : 9.02s CPU 8.92s WALL ( 6419 calls) cegterg:last : 3.75s CPU 3.84s WALL ( 1133 calls) cdiaghg:chol : 2.11s CPU 2.02s WALL ( 6751 calls) cdiaghg:inve : 1.14s CPU 1.08s WALL ( 6751 calls) cdiaghg:para : 1.87s CPU 1.92s WALL ( 13502 calls) Called by h_psi: h_psi:vloc : 93.54s CPU 94.91s WALL ( 7191 calls) h_psi:vnl : 10.22s CPU 10.55s WALL ( 7191 calls) add_vuspsi : 5.45s CPU 5.55s WALL ( 7191 calls) General routines calbec : 4.76s CPU 4.98s WALL ( 7191 calls) fft : 0.00s CPU 0.01s WALL ( 15 calls) fftw : 89.19s CPU 90.23s WALL ( 554268 calls) davcio : 0.29s CPU 1.82s WALL ( 664 calls) Parallel routines fft_scatter : 30.56s CPU 30.72s WALL ( 554283 calls) PWSCF : 3m13.05s CPU 4m 6.34s WALL This run was terminated on: 15:50:53 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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