Category:Output files: Difference between revisions
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| {{FILE|BSEFATBAND}} || | | {{FILE|BSEFATBAND}} || BSE eigenvalues used for "fatband" plots. | ||
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| {{FILE|CHG}} || | | {{FILE|CHG}} || Contains charge density, lattice vectors and atomic coordinates. Should be used for visualization. | ||
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| {{FILE|CHGCAR}} || | | {{FILE|CHGCAR}} || Same as CHG but it contains also one-center occupancies. Should be used to restart VASP from existing charge density. | ||
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| {{FILE|CONTCAR}} || | | {{FILE|CONTCAR}} || | ||
Revision as of 13:24, 27 February 2019
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.