&control calculation = 'scf', restart_mode='from_scratch', prefix='ch4', tprnfor = .true., pseudo_dir = './', / &system ibrav= 1, celldm(1) =15.0, nat=5, ntyp= 2, ecutwfc =40.0, nbnd=5 / &electrons diagonalization='cg' mixing_beta = 0.5, conv_thr = 1.0d-8 / ATOMIC_SPECIES H 1.0 H.pz-vbc.UPF C 12.0 C.pz-vbc.UPF ATOMIC_POSITIONS {bohr} H 1.198204546 1.198204546 1.198204546 H -1.198204546 -1.198204546 1.198204546 H 1.198204546 -1.198204546 -1.198204546 H -1.198204546 1.198204546 -1.198204546 C 0.000000000 0.000000000 0.000000000