# General Setup SYSTEM = Aluminum # Calculation Title PREC = Accurate # Options: Low, Medium, High, Normal, accurate ENCUT = 350 # Kinetic Energy Cutoff in eV # Electronic Relaxation NELMIN = 5 # Min Number of ESC steps EDIFF = 1E-8 # Global Break Condition for the Elec SC-loop LREAL = .FALSE. # Real Space Projection ADDGRID = .TRUE. # Improve the Grid Accuracy # Ionic Relaxation - we need to calculate one displacement SIGMA = 0.1 # Insulators/semiconductors=0.1 metals=0.05 ISMEAR = 1 IBRION = -1