&control calculation = 'scf' / &system ibrav=1 celldm(1)=7.3699, nat=5 ntyp=3 nbnd=25 ecutwfc=25.0 ecutrho=200. / &electrons conv_thr = 1e-12, mixing_beta=0.3 tqr=.true. / ATOMIC_SPECIES Pb 207.2 Pb.pz-d-van.UPF Ti 47.867 Ti.pz-sp-van_ak.UPF O 15.9994 O.pz-van_ak.UPF ATOMIC_POSITIONS (alat) Pb 0.000 0.000 0.010 Ti 0.500 0.500 0.500 O 0.000 0.500 0.500 O 0.500 0.500 0.000 O 0.500 0.000 0.500 K_POINTS {automatic} 2 2 2 1 1 1