Input and Output Files of VASP

A short explanation of input and output files of VASP.

Input Files

4 files are required at least. These files are prepared in the same directory.

INCAR: calculation parameters
POSCAR: lattice structure and coordinate of atoms.
POTCAR: potentials
KPOINTS: k-points mesh

Output Files

We can get these results’ files mainly.

CHG: charge density for each cycle
CHGCAR: charge density of the final state
CONTCAR: lattice structure and coordinate of atoms.
DOSCAR: density of state
EIGENVAL: eigen value of all k-points
IBZKPT: details of k-points
OSZICAR: energy for each cycle
OUTCAR: all results
WAVECAR: wave function
XDATCAR: structure of each cycle

Leave a Comment

Your email address will not be published. Required fields are marked *