NWRITE: Difference between revisions
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{{TAGDEF|NWRITE|0 {{!}} 1 {{!}} 2 {{!}} 3 {{!}} 4|2}} | {{TAGDEF|NWRITE|0 {{!}} 1 {{!}} 2 {{!}} 3 {{!}} 4|2}} | ||
Description: This tag determines how much will be written to the file {{TAG|OUTCAR}} ('verbosity | Description: This tag determines how much will be written to the file {{TAG|OUTCAR}} ('verbosity tag'). | ||
---- | ---- | ||
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| forces || f+l || i || i || i | | forces || f+l || i || i || i | ||
|- | |- | ||
| | | lattice and space group information for {{TAG|ISYM}}>0 || f || f || f || f | ||
|- | |- | ||
| | | symmetry operations for {{TAG|ISYM}}>0 || || || || f | ||
|- | |- | ||
| timing information || || || X || X | | timing information || || || X || X | ||
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|- | |- | ||
|} | |} | ||
{{NB|tip|For long molecular-dynamics runs, use {{TAG|NWRITE}}{{=}}0 or {{TAG|NWRITE}}{{=}}1. For short runs use {{TAG|NWRITE}}{{=}}2. {{TAG|NWRITE}}{{=}}3 might give information if something goes wrong.}} | |||
For long | {{TAG|NWRITE}}=4 is for debugging only. | ||
== Related tags and articles == | == Related tags and articles == | ||
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[[Category:INCAR]][[Category:Electronic minimization]][[Category:Symmetry]] | [[Category:INCAR tag]][[Category:Electronic minimization]][[Category:Symmetry]] | ||
Revision as of 09:50, 8 April 2022
NWRITE = 0 | 1 | 2 | 3 | 4
Default: NWRITE = 2
Description: This tag determines how much will be written to the file OUTCAR ('verbosity tag').
The options for NWRITE are given in detail as
NWRITE 0 1 2 3 contributions to electronic energy at each electronic iteration f f e e convergence information f f e e eigenvalues f+l i i e DOS + charge density f+l i i e total energy and electronic contributions i i i i stress i i i i basis vectors f+l i i i forces f+l i i i lattice and space group information for ISYM>0 f f f f symmetry operations for ISYM>0 f timing information X X
where the following abbreviations have been used
f+l first and last ionic step f first ionic step i each ionic step e each electronic step X when applicable
| Tip: For long molecular-dynamics runs, use NWRITE=0 or NWRITE=1. For short runs use NWRITE=2. NWRITE=3 might give information if something goes wrong. |
NWRITE=4 is for debugging only.
Related tags and articles
OUTCAR, IALGO, IBRION, MDALGO, ISIF, ISYM