VASP Example Run for Calcium: Input files
Revision as of 12:05, 27 August 2010 by Haupt
could be downloadable from: /usr/local/vasp/ depending on which potential you would like to use:
- PAW (Projected augmented wave),
- PAW-GGA (Projected augmented wave-generalized gradient approximation),
- PS (Pseudopotential) etc.
MK11x11x2 #header file 0 Monkhorst #Style of Kpoints 11 11 11 #Numbers 0 0 0
ISMEAR = -5 IBRION = 2 LWAVE = .FALSE. LCHARG = .FALSE. ENCUT = 250.00