NWRITE: Difference between revisions

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== Related Tags and Sections ==
== Related Tags and Sections ==


{{TAG|OUTCAR}}, {{TAG|IALGO}}, {{TAG|IBRION}}, {{TAG|ISIF}}
{{TAG|OUTCAR}}, {{TAG|IALGO}}, {{TAG|IBRION}}, {{TAG|MDALGO}}, {{TAG|ISIF}}


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

Revision as of 11:20, 6 April 2022

NWRITE = 0 | 1 | 2 | 3 | 4
Default: NWRITE = 2 

Description: This flag 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
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 Sections

OUTCAR, IALGO, IBRION, MDALGO, ISIF

Examples that use this tag