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 | Description: This tag determines how much will be written to the file {{TAG|OUTCAR}} ('verbosity tag'). | ||
---- | ---- | ||
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| NWRITE || 0 || 1 || 2 ||3 | | NWRITE || 0 || 1 || 2 ||3 | ||
|- | |- | ||
| | | contributions to electronic energy at each electronic iteration || f || f || e || e | ||
|- | |- | ||
| convergence information || f || f || e || e | | convergence information || f || f || e || e | ||
| Line 16: | Line 16: | ||
| DOS + charge density || 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 | | stress || i || i || i || i | ||
| Line 23: | Line 23: | ||
|- | |- | ||
| 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 | ||
| Line 32: | Line 36: | ||
| f+l|| first and last ionic step | | f+l|| first and last ionic step | ||
|- | |- | ||
| f | first ionic step | | f || first ionic step | ||
|- | |- | ||
| i | each ionic step | | i || each ionic step | ||
|- | |- | ||
| e | each electronic step | | e || each electronic step | ||
|- | |- | ||
| X | when applicable | | X || when applicable | ||
|- | |- | ||
|} | |} | ||
{{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.}} | |||
{{TAG|NWRITE}}=4 is for debugging only. | |||
== Related tags and articles == | |||
{{TAG|OUTCAR}}, {{TAG|IALGO}}, {{TAG|IBRION}}, {{TAG|MDALGO}}, {{TAG|ISIF}}, {{TAG|ISYM}} | |||
{{sc|NWRITE|Examples|Examples that use this tag}} | |||
[[Category:INCAR]] | [[Category:INCAR tag]][[Category:Symmetry]][[Category:Forces]] | ||
Latest revision as of 14:53, 17 October 2024
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.