OUTCAR - Revision history

Csheldon: /* Specific tags */

2026-06-11T10:51:23Z

Specific tags

← Older revision		Revision as of 10:51, 11 June 2026
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	*{{TAG\|ALGO}} is used to define the electronic minimization algorithm that is used or to select the [[:Category:Many-body perturbation theory\|many-body perturbation theory]] (MBPT) algorithm, e.g., the [[:Category:GW\|GW]] approximation, the [[RPA/ACFDT: Correlation energy in the Random Phase Approximation\|random-phase approximation]] (RPA), the [[:Category:Bethe-Salpeter equations\|Bethe-Salpeter equation]] (BSE).		*{{TAG\|ALGO}} is used to define the electronic minimization algorithm that is used or to select the [[:Category:Many-body perturbation theory\|many-body perturbation theory]] (MBPT) algorithm, e.g., the [[:Category:GW\|GW]] approximation, the [[RPA/ACFDT: Correlation energy in the Random Phase Approximation\|random-phase approximation]] (RPA), the [[:Category:Bethe-Salpeter equations\|Bethe-Salpeter equation]] (BSE).

	=== ~~Specific~~ tags ===		=== Property tags ===
	There are also many tags for specific properties, such as [[:Category:Electron-phonon interactions\|electron-phonon interactions]] (cf. the long list of <code>ELPH_</code> tags at the end of the category page), [[:Category:NMR\|nuclear magnetic resonance]] (NMR) - e.g., chemical shielding ({{TAG\|LCHIMAG}}), electric field gradient EFG ({{TAG\|LEFG}}), etc.		There are also many tags for specific properties, such as [[:Category:Electron-phonon interactions\|electron-phonon interactions]] (cf. the long list of <code>ELPH_</code> tags at the end of the category page), [[:Category:NMR\|nuclear magnetic resonance]] (NMR) - e.g., chemical shielding ({{TAG\|LCHIMAG}}), electric field gradient EFG ({{TAG\|LEFG}}), etc.

	There are several other output files which we summarize below, along with several common tags for		There are several other output files which we summarize below, along with several common tags for

	== Related tags and articles ==		== Related tags and articles ==

Csheldon at 10:35, 11 June 2026

2026-06-11T10:35:31Z

← Older revision		Revision as of 10:35, 11 June 2026
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	The {{~~TAG~~\|OUTCAR}} file gives detailed output of a VASP run~~, including~~:		There are three main output files: {{FILE\|OUTCAR}} in human-readable format, {{FILE\|vasprun.xml}} in xml format, and {{FILE\|vaspout.h5}} in HDF5 format. The {{FILE\|OUTCAR}} file gives detailed human-readable output of a VASP run with roughly the following format:
	*A summary of the used input parameters.		*A summary of the used input parameters (e.g., {{FILE\|INCAR}} tags), the starting structure (cf. {{FILE\|POSCAR}}), the k-point mesh (cf. {{FILE\|KPOINTS}}), and the pseudopotentials used (cf. {{FILE\|POTCAR}} and [[choosing pseudopotentials]]).
	*Information about the electronic steps, KS-eigenvalues.		*Information about the [[Setting up an electronic minimization\|electronic steps]], KS-eigenvalues.
	*Stress tensors.		*Stress tensors.
	*Forces on the atoms.		*[[:Category:Forces\|Forces]] on the atoms.
	*Local charges and magnetic moments.		*Local charges and [[:Category:Magnetism\|magnetic moments]].
	*Dielectric properties		*[[:Category:Dielectric properties\|Dielectric properties]]
	*The amount of output written onto the {{~~TAG~~\|OUTCAR}} file can be chosen by modifying the {{TAG\|NWRITE}} tag in the {{TAG\|INCAR}} file.		*The amount of output written onto the {{FILE\|OUTCAR}} file can be chosen by modifying the {{TAG\|NWRITE}} tag in the {{TAG\|INCAR}} file.

	----		== INCAR tags ==
			=== Common tags ===
			The output to the {{TAG\|OUTCAR}} file is determined by {{FILE\|INCAR}} tags. The output for these is documented on their respective tag or how-to pages. Some of the most common tags are:
			*the {{TAG\|IBRION}} tag selects [[structure optimization]] - {{TAG\|IBRION\|1-3}}, [[:Category:Molecular dynamics\|molecular dynamics (MD)]] calculations - {{TAG\|IBRION\|0}}, or [[:Category:Phonons\|phonon]] calculations - {{TAG\|IBRION\|5-6}}.
			*{{TAG\|ISIF}} selects for degrees of ionic and structural freedom in structural optimization and MD.
			*{{TAG\|ALGO}} is used to define the electronic minimization algorithm that is used or to select the [[:Category:Many-body perturbation theory\|many-body perturbation theory]] (MBPT) algorithm, e.g., the [[:Category:GW\|GW]] approximation, the [[RPA/ACFDT: Correlation energy in the Random Phase Approximation\|random-phase approximation]] (RPA), the [[:Category:Bethe-Salpeter equations\|Bethe-Salpeter equation]] (BSE).

			=== Specific tags ===
			There are also many tags for specific properties, such as [[:Category:Electron-phonon interactions\|electron-phonon interactions]] (cf. the long list of <code>ELPH_</code> tags at the end of the category page), [[:Category:NMR\|nuclear magnetic resonance]] (NMR) - e.g., chemical shielding ({{TAG\|LCHIMAG}}), electric field gradient EFG ({{TAG\|LEFG}}), etc.

			There are several other output files which we summarize below, along with several common tags for

			== Related tags and articles ==
			* Output and input files: {{FILE\|INCAR}}, {{FILE\|POSCAR}}, {{FILE\|KPOINTS}}, {{FILE\|POTCAR}}, {{FILE\|OSZICAR}}, {{FILE\|IBZKPT}}, {{FILE\|CHGCAR}}, {{FILE\|WAVECAR}}, {{FILE\|vasprun.xml}}, {{FILE\|vaspout.h5}}.
			* Controlling output verbosity: {{TAG\|NWRITE}}.
			* Output-controlling tags: [[LCHIMAG\|chemical shielding]], [[LEFG\|electric field gradient]], [[LHYPERFINE\|hyperfine coupling constant]], [[LOPTICS\|dielectric function]], [[LEPSILON\|Born effective charges and dielectric tensor (DFPT)]], [[LCALCEPS\|Born effective charges (finite-differences)]], [[ICORELEVEL\|X-ray core-level binding energies]], [[ALGO\|optics]], [[LORBIT\|density of states (DOS)]].

	[[Category:Files]] [[Category:Output files]]		[[Category:Files]] [[Category:Output files]]

Schlipf at 13:34, 7 March 2025

2025-03-07T13:34:40Z

← Older revision		Revision as of 13:34, 7 March 2025
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	----		----

	[[Category:Files]] [[Category:Output ~~Files~~]]		[[Category:Files]] [[Category:Output files]]

Karsai at 05:38, 7 April 2021

2021-04-07T05:38:54Z

← Older revision		Revision as of 05:38, 7 April 2021
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	----		----
	~~[[The_VASP_Manual\|Contents]]~~

	[[Category:Files]]		[[Category:Files]] [[Category:Output Files]]

Karsai at 18:16, 8 May 2018

2018-05-08T18:16:44Z

← Older revision		Revision as of 18:16, 8 May 2018
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	*Local charges and magnetic moments.		*Local charges and magnetic moments.
	*Dielectric properties		*Dielectric properties
	*The amount of output written onto the OUTCAR file can be chosen by modifying the {{TAG\|NWRITE}} tag in the {{TAG\|INCAR}} file.		*The amount of output written onto the {{TAG\|OUTCAR}} file can be chosen by modifying the {{TAG\|NWRITE}} tag in the {{TAG\|INCAR}} file.

	----		----

Karsai at 18:15, 8 May 2018

2018-05-08T18:15:38Z

← Older revision		Revision as of 18:15, 8 May 2018
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	The {{TAG\|OUTCAR}} file gives detailed output of a VASP run, including:		The {{TAG\|OUTCAR}} file gives detailed output of a VASP run, including:
	*A summary of the used input parameters.		*A summary of the used input parameters.
	*Information about the electronic steps: , KS-eigenvalues.		*Information about the electronic steps, KS-eigenvalues.
	*Stress tensors.		*Stress tensors.
	*Forces on the atoms.		*Forces on the atoms.

Karsai: Created page with "The {{TAG|OUTCAR}} file gives detailed output of a VASP run, including: A summary of the used input parameters. Information about the electronic steps: , KS-eigenvalues. *S..."

2018-05-08T18:14:49Z

Created page with "The {{TAG|OUTCAR}} file gives detailed output of a VASP run, including: *A summary of the used input parameters. *Information about the electronic steps: , KS-eigenvalues. *S..."

New page

The {{TAG|OUTCAR}} file gives detailed output of a VASP run, including:
*A summary of the used input parameters.
*Information about the electronic steps: , KS-eigenvalues.
*Stress tensors.
*Forces on the atoms.
*Local charges and magnetic moments.
*Dielectric properties
*The amount of output written onto the OUTCAR file can be chosen by modifying the {{TAG|NWRITE}} tag in the {{TAG|INCAR}} file.

----
[[The_VASP_Manual|Contents]]

[[Category:Files]]