Category:Output files

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Revision as of 13:24, 27 February 2019 by Karsai (talk | contribs)

The main output file of VASP is the OUTCAR. The vasprun.xml contains similar information but in an xml format. The OSZICAR file contains the total energies of the electronic and ionic SCF steps, and it is useful for the monitoring of the calculation.

Here is a comprehensive list of all important output files:

BSEFATBAND BSE eigenvalues used for "fatband" plots.
CHG Contains charge density, lattice vectors and atomic coordinates. Should be used for visualization.
CHGCAR Same as CHG but it contains also one-center occupancies. Should be used to restart VASP from existing charge density.
CONTCAR
DOSCAR
EIGENVAL
ELFCAR
IBZKPT
LOCPOT
OSZICAR
OUTCAR
PARCHG
PCDAT
PROCAR
PROOUT
TMPCAR
vasprun.xml
Wxxxx.tmp
WAVECAR
WAVEDER
WFULLxxxx.tmp
XDATCAR

Pages in category "Output files"

The following 14 pages are in this category, out of 14 total.