&control calculation = 'scf' restart_mode='from_scratch', prefix='graphene', tstress = .true., tprnfor = .true., pseudo_dir = '/home/germaneau/soft/science/DFT-codes/quantum_expresso/pseudopotentials/pseudo', outdir='./', / &system ibrav = 4, celldm(1)=4.6106697593293102,celldm(3)=4.0028256785123464, nat = 2, ntyp = 1, nbnd = 30, ecutwfc = 40.0, ecutrho = 400.0, / &electrons !diagonalization='cg', conv_thr = 1.0d-8, / ATOMIC_SPECIES C 12.0107 C.pbe-van_ak.UPF ATOMIC_POSITIONS (crystal) C 0.3333 0.6667 0.3333 C 0.0 0.0 0.3333 K_POINTS automatic 16 16 1 1 1 1