NWRITE: Difference between revisions

From VASP Wiki
No edit summary
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 || i || i || i || i
|-
|-
| timing information ||  ||  || X || X
| timing information ||  ||  || X || X

Revision as of 11:50, 6 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 flag').


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 i i i i
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

For long MD-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