&control
calculation = 'scf'
restart_mode = 'from_scratch'
prefix = 'cnt+si'
outdir = './'
pseudo_dir = '../../../pseudo/'
wf_collect = .true.
/
&system
ibrav= 8
celldm(1) = 26.2945
celldm(2) = 0.9862
celldm(3) = 3.3677
nat = 220
ntyp = 2
ecutwfc = 60
occupations = smearing
degauss = 0.02
/
&electrons
mixing_beta = 0.2
conv_thr = 1.0d-9
/
ATOMIC_SPECIES
C 12.00 C.pz-vbc.UPF
Si 28.00 Si.pz-vbc.UPF
ATOMIC_POSITIONS {angstrom}
C 1.58342228 1.15042363 0.00000000
C 0.60481349 1.86142453 2.13000000
C -0.60481349 1.86142453 4.26000000
C -1.58342228 1.15042363 6.39000000
C -1.95721758 0.00000000 8.52000000
C -1.58342228 -1.15042363 10.65000000
C -0.60481349 -1.86142453 12.78000000
C 0.60481349 -1.86142453 14.91000000
C 1.58342228 -1.15042363 17.04000000
C 1.95721758 -0.00000000 19.17000000
C 1.58342228 1.15042363 21.30000000
Si 0.60481349 1.86142453 23.43000000
C -0.60481349 1.86142453 25.56000000
C -1.58342228 1.15042363 27.69000000
C -1.95721758 0.00000000 29.82000000
C -1.58342228 -1.15042363 31.95000000
C -0.60481349 -1.86142453 34.08000000
C 0.60481349 -1.86142453 36.21000000
C 1.58342228 -1.15042363 38.34000000
C 1.95721758 -0.00000000 40.47000000
C 1.58342228 1.15042363 42.60000000
C 0.60481349 1.86142453 44.73000000
C -0.60481349 1.86142453 0.00000000
C -1.58342228 1.15042363 2.13000000
C -1.95721758 0.00000000 4.26000000
C -1.58342228 -1.15042363 6.39000000
C -0.60481349 -1.86142453 8.52000000
C 0.60481349 -1.86142453 10.65000000
C 1.58342228 -1.15042363 12.78000000
C 1.95721758 -0.00000000 14.91000000
C 1.58342228 1.15042363 17.04000000
C 0.60481349 1.86142453 19.17000000
C -0.60481349 1.86142453 21.30000000
C -1.58342228 1.15042363 23.43000000
C -1.95721758 0.00000000 25.56000000
C -1.58342228 -1.15042363 27.69000000
C -0.60481349 -1.86142453 29.82000000
C 0.60481349 -1.86142453 31.95000000
C 1.58342228 -1.15042363 34.08000000
C 1.95721758 -0.00000000 36.21000000
C 1.58342228 1.15042363 38.34000000
C 0.60481349 1.86142453 40.47000000
C -0.60481349 1.86142453 42.60000000
C -1.58342228 1.15042363 44.73000000
C -1.95721758 0.00000000 0.00000000
C -1.58342228 -1.15042363 2.13000000
C -0.60481349 -1.86142453 4.26000000
C 0.60481349 -1.86142453 6.39000000
C 1.58342228 -1.15042363 8.52000000
C 1.95721758 -0.00000000 10.65000000
C 1.58342228 1.15042363 12.78000000
C 0.60481349 1.86142453 14.91000000
C -0.60481349 1.86142453 17.04000000
C -1.58342228 1.15042363 19.17000000
C -1.95721758 0.00000000 21.30000000
C -1.58342228 -1.15042363 23.43000000
C -0.60481349 -1.86142453 25.56000000
C 0.60481349 -1.86142453 27.69000000
C 1.58342228 -1.15042363 29.82000000
C 1.95721758 -0.00000000 31.95000000
C 1.58342228 1.15042363 34.08000000
C 0.60481349 1.86142453 36.21000000
C -0.60481349 1.86142453 38.34000000
C -1.58342228 1.15042363 40.47000000
C -1.95721758 0.00000000 42.60000000
C -1.58342228 -1.15042363 44.73000000
C -0.60481349 -1.86142453 0.00000000
C 0.60481349 -1.86142453 2.13000000
C 1.58342228 -1.15042363 4.26000000
C 1.95721758 -0.00000000 6.39000000
C 1.58342228 1.15042363 8.52000000
C 0.60481349 1.86142453 10.65000000
C -0.60481349 1.86142453 12.78000000
C -1.58342228 1.15042363 14.91000000
C -1.95721758 0.00000000 17.04000000
C -1.58342228 -1.15042363 19.17000000
C -0.60481349 -1.86142453 21.30000000
C 0.60481349 -1.86142453 23.43000000
C 1.58342228 -1.15042363 25.56000000
C 1.95721758 -0.00000000 27.69000000
C 1.58342228 1.15042363 29.82000000
C 0.60481349 1.86142453 31.95000000
C -0.60481349 1.86142453 34.08000000
C -1.58342228 1.15042363 36.21000000
C -1.95721758 0.00000000 38.34000000
C -1.58342228 -1.15042363 40.47000000
C -0.60481349 -1.86142453 42.60000000
C 0.60481349 -1.86142453 44.73000000
C 1.58342228 -1.15042363 0.00000000
C 1.95721758 -0.00000000 2.13000000
C 1.58342228 1.15042363 4.26000000
C 0.60481349 1.86142453 6.39000000
C -0.60481349 1.86142453 8.52000000
C -1.58342228 1.15042363 10.65000000
C -1.95721758 0.00000000 12.78000000
C -1.58342228 -1.15042363 14.91000000
C -0.60481349 -1.86142453 17.04000000
C 0.60481349 -1.86142453 19.17000000
C 1.58342228 -1.15042363 21.30000000
C 1.95721758 -0.00000000 23.43000000
C 1.58342228 1.15042363 25.56000000
C 0.60481349 1.86142453 27.69000000
C -0.60481349 1.86142453 29.82000000
C -1.58342228 1.15042363 31.95000000
C -1.95721758 -0.00000000 34.08000000
C -1.58342228 -1.15042363 36.21000000
C -0.60481349 -1.86142453 38.34000000
C 0.60481349 -1.86142453 40.47000000
C 1.58342228 -1.15042363 42.60000000
C 1.95721758 0.00000000 44.73000000
C 1.58342228 -1.15042363 1.42000000
C 1.95721758 0.00000000 3.55000000
C 1.58342228 1.15042363 5.68000000
C 0.60481349 1.86142453 7.81000000
C -0.60481349 1.86142453 9.94000000
C -1.58342228 1.15042363 12.07000000
C -1.95721758 0.00000000 14.20000000
C -1.58342228 -1.15042363 16.33000000
C -0.60481349 -1.86142453 18.46000000
C 0.60481349 -1.86142453 20.59000000
C 1.58342228 -1.15042363 22.72000000
C 1.95721758 0.00000000 24.85000000
C 1.58342228 1.15042363 26.98000000
C 0.60481349 1.86142453 29.11000000
C -0.60481349 1.86142453 31.24000000
C -1.58342228 1.15042363 33.37000000
C -1.95721758 0.00000000 35.50000000
C -1.58342228 -1.15042363 37.63000000
C -0.60481349 -1.86142453 39.76000000
C 0.60481349 -1.86142453 41.89000000
C 1.58342228 -1.15042363 44.02000000
C 1.95721758 -0.00000000 46.15000000
C 1.58342228 1.15042363 1.42000000
C 0.60481349 1.86142453 3.55000000
C -0.60481349 1.86142453 5.68000000
C -1.58342228 1.15042363 7.81000000
C -1.95721758 -0.00000000 9.94000000
C -1.58342228 -1.15042363 12.07000000
C -0.60481349 -1.86142453 14.20000000
C 0.60481349 -1.86142453 16.33000000
C 1.58342228 -1.15042363 18.46000000
C 1.95721758 0.00000000 20.59000000
C 1.58342228 1.15042363 22.72000000
C 0.60481349 1.86142453 24.85000000
C -0.60481349 1.86142453 26.98000000
C -1.58342228 1.15042363 29.11000000
C -1.95721758 0.00000000 31.24000000
C -1.58342228 -1.15042363 33.37000000
C -0.60481349 -1.86142453 35.50000000
C 0.60481349 -1.86142453 37.63000000
C 1.58342228 -1.15042363 39.76000000
C 1.95721758 -0.00000000 41.89000000
C 1.58342228 1.15042363 44.02000000
C 0.60481349 1.86142453 46.15000000
C -0.60481349 1.86142453 1.42000000
C -1.58342228 1.15042363 3.55000000
C -1.95721758 -0.00000000 5.68000000
C -1.58342228 -1.15042363 7.81000000
C -0.60481349 -1.86142453 9.94000000
C 0.60481349 -1.86142453 12.07000000
C 1.58342228 -1.15042363 14.20000000
C 1.95721758 0.00000000 16.33000000
C 1.58342228 1.15042363 18.46000000
C 0.60481349 1.86142453 20.59000000
C -0.60481349 1.86142453 22.72000000
C -1.58342228 1.15042363 24.85000000
C -1.95721758 0.00000000 26.98000000
C -1.58342228 -1.15042363 29.11000000
C -0.60481349 -1.86142453 31.24000000
C 0.60481349 -1.86142453 33.37000000
C 1.58342228 -1.15042363 35.50000000
C 1.95721758 -0.00000000 37.63000000
C 1.58342228 1.15042363 39.76000000
C 0.60481349 1.86142453 41.89000000
C -0.60481349 1.86142453 44.02000000
C -1.58342228 1.15042363 46.15000000
C -1.95721758 0.00000000 1.42000000
C -1.58342228 -1.15042363 3.55000000
C -0.60481349 -1.86142453 5.68000000
C 0.60481349 -1.86142453 7.81000000
C 1.58342228 -1.15042363 9.94000000
C 1.95721758 0.00000000 12.07000000
C 1.58342228 1.15042363 14.20000000
C 0.60481349 1.86142453 16.33000000
C -0.60481349 1.86142453 18.46000000
C -1.58342228 1.15042363 20.59000000
C -1.95721758 0.00000000 22.72000000
C -1.58342228 -1.15042363 24.85000000
C -0.60481349 -1.86142453 26.98000000
C 0.60481349 -1.86142453 29.11000000
C 1.58342228 -1.15042363 31.24000000
C 1.95721758 -0.00000000 33.37000000
C 1.58342228 1.15042363 35.50000000
C 0.60481349 1.86142453 37.63000000
C -0.60481349 1.86142453 39.76000000
C -1.58342228 1.15042363 41.89000000
C -1.95721758 0.00000000 44.02000000
C -1.58342228 -1.15042363 46.15000000
C -0.60481349 -1.86142453 1.42000000
C 0.60481349 -1.86142453 3.55000000
C 1.58342228 -1.15042363 5.68000000
C 1.95721758 0.00000000 7.81000000
C 1.58342228 1.15042363 9.94000000
C 0.60481349 1.86142453 12.07000000
C -0.60481349 1.86142453 14.20000000
C -1.58342228 1.15042363 16.33000000
C -1.95721758 0.00000000 18.46000000
C -1.58342228 -1.15042363 20.59000000
C -0.60481349 -1.86142453 22.72000000
C 0.60481349 -1.86142453 24.85000000
C 1.58342228 -1.15042363 26.98000000
C 1.95721758 -0.00000000 29.11000000
C 1.58342228 1.15042363 31.24000000
C 0.60481349 1.86142453 33.37000000
C -0.60481349 1.86142453 35.50000000
C -1.58342228 1.15042363 37.63000000
C -1.95721758 0.00000000 39.76000000
C -1.58342228 -1.15042363 41.89000000
C -0.60481349 -1.86142453 44.02000000
C 0.60481349 -1.86142453 46.15000000
K_POINTS {gamma}
