&CONTROL title = 'c70' , calculation = 'scf', verbosity = 'default', restart_mode ='from_scratch', tprnfor = .true., prefix = 'c70', disk_io = 'default', nstep = 200, pseudo_dir = '/home/haiping/espresso-3.2/pseudo/', outdir='/home/haiping/tmp/' forc_conv_thr= 1.0D-3 / &SYSTEM ibrav= 6, celldm(1)=47.243171944358878,celldm(3)=0.1704, nat = 28 , ntyp = 1 , ecutwfc = 24.0000000000, occupations = 'smearing' , smearing ='mv', degauss = 0.003, / &ELECTRONS electron_maxstep = 100, conv_thr = 1.0e-12, mixing_mode = 'plain' , mixing_beta = 0.300000000, diagonalization = 'david' , / ATOMIC_SPECIES C 12.0107 C.pz-rrkjus.UPF ATOMIC_POSITIONS (angstrom) C 2.764328170 0.000000000 0.001578736 C 2.490291082 1.198797835 3.543288700 C 2.490235187 1.198796639 2.131651047 C 1.722697893 2.160397658 1.413427861 C 1.722707934 2.160453697 0.001569081 C 0.615177536 2.694255380 3.543298594 C 0.615136758 2.694210862 2.131678980 C -0.615386695 2.693893468 1.413411307 C -0.615427241 2.693939308 0.001600376 C -1.722817052 2.160104901 3.543350097 C -1.722800327 2.160050881 2.131651588 C -2.490057820 1.198401810 1.413451858 C -2.490110905 1.198405111 0.001613491 C -2.763976482 0.000000000 3.543324624 C -2.763924037 0.000000000 2.131707122 C -2.490057820 -1.198401810 1.413451858 C -2.490110905 -1.198405111 0.001613491 C -1.722817052 -2.160104901 3.543350097 C -1.722800327 -2.160050881 2.131651588 C -0.615386695 -2.693893468 1.413411307 C -0.615427241 -2.693939308 0.001600376 C 0.615177536 -2.694255380 3.543298594 C 0.615136758 -2.694210862 2.131678980 C 1.722697893 -2.160397658 1.413427861 C 1.722707934 -2.160453697 0.001569081 C 2.490291082 -1.198797835 3.543288700 C 2.490235187 -1.198796639 2.131651047 C 2.764279648 0.000000000 1.413403558 K_POINTS automatic 1 1 12 0 0 0