NWRITE: Difference between revisions
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| forces || f+l || i || i || i | | forces || f+l || i || i || i | ||
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| | | lattice and space group information for {{TAG|ISYM}}>0 || f || f || f || f | ||
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| | | symmetry operations for {{TAG|ISYM}}>0 || || || || f | ||
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| timing information || || || X || X | | timing information || || || X || X | ||
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|} | |} | ||
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. | {{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 == | == Related tags and articles == | ||
Revision as of 09:46, 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: {{{2}}} |
NWRITE=4 is for debugging only.
Related tags and articles
OUTCAR, IALGO, IBRION, MDALGO, ISIF, ISYM