VASP Example Run for Calcium: Input files

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POTCAR

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.

KPOINTS

MK11x11x2	#header file
 0		
Monkhorst	#Style of Kpoints
 11 11 11	#Numbers
 0  0  0

INCAR

ISMEAR = -5
IBRION = 2
LWAVE = .FALSE.
LCHARG = .FALSE.
ENCUT = 250.00
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