NWRITE: Difference between revisions

From VASP Wiki
No edit summary
No edit summary
 
(2 intermediate revisions by 2 users not shown)
Line 52: Line 52:


{{sc|NWRITE|Examples|Examples that use this tag}}
{{sc|NWRITE|Examples|Examples that use this tag}}
----


[[Category:INCAR]][[Category:Electronic minimization]][[Category:Symmetry]]
[[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.

Related tags and articles

OUTCAR, IALGO, IBRION, MDALGO, ISIF, ISYM

Examples that use this tag