SYSTEM = Pt(5 4 4)-1x1-5Layer PBEa57-DF2 #xc GGA=PA LUSE_VDW=.TRUE. PREC=Accurate AGGAC=0.0000 Zab_vdW=-1.8867 PARAM1=0.57 ALGO=Fast #SCF steps NELM=80 NELMIN=4 NELMDL=-12 #INITIALIZATION OF WAVEFUNCTION ISTART=0 INIWAV=1 IBRION=1 ISIF=2 #Smearing ISMEAR=1 SIGMA=0.2 #ACCURACY CRITERIA EDIFF=1.E-7 EDIFFG=-0.005 ENCUT=400 #DO NOT WRITE LARGE FILES LCHARGE = .FALSE. LWAVE = .FALSE. #IONIC STEPS NSW = 40 #Settings for the parallelization NPAR=4 KPAR=4 LPLANE=.TRUE. NSIM=4