&control calculation='scf' tprnfor=.true. tstress=.true. / &system ibrav=4 celldm(1)=4.66 celldm(3)=2.60 nat=4 ecutwfc=18. ecutrho=200. ntyp=1 occupations='smearing' degauss=0.02 smearing='marzari-vanderbilt' input_dft='vdw-DF-c09' / &electrons mixing_beta=0.5 mixing_ndim=20 / ATOMIC_SPECIES C 12. C.pbe-van_bm.UPF 1 K_POINTS {gamma} ATOMIC_POSITIONS {crystal} C 0.00000 1.00000 0.75000 C 0.66667 0.33333 0.75000 C 0.00000 1.00000 0.25000 C 0.33333 0.66667 0.25000