NWRITE: Difference between revisions
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{{sc|NWRITE|Examples|Examples that use this tag}} | {{sc|NWRITE|Examples|Examples that use this tag}} | ||
[[Category:INCAR tag]][[Category:Symmetry]][[Category:Forces]][[Category: | [[Category:INCAR tag]][[Category:Symmetry]][[Category:Forces]][[Category:Ionic minimization]][[Category:Electronic minimization]][[Category:Performance]] | ||
Latest revision as of 11:57, 20 October 2025
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
Feature NWRITE = 0 NWRITE = 1 NWRITE = 2 NWRITE = 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
Code Meaning 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. |
| Important: NWRITE=4 is for debugging only. |
Related tags and articles
OUTCAR, IALGO, IBRION, MDALGO, ISIF, ISYM, EDIFF, EDIFFG, Troubleshooting electronic convergence