NWRITE: Difference between revisions

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{{TAGDEF|NWRITE|0 {{!}} 1 {{!}} 2 {{!}} 3 {{!}} 4|2}}
{{TAGDEF|NWRITE|0 {{!}} 1 {{!}} 2 {{!}} 3 {{!}} 4|2}}


Description: This flag determines how much will be written to the file {{TAG|OUTCAR}} ('verbosity flag').
Description: This tag determines how much will be written to the file {{TAG|OUTCAR}} ('verbosity tag').
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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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{{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 ==


For long MD-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.
{{TAG|OUTCAR}}, {{TAG|IALGO}}, {{TAG|IBRION}}, {{TAG|MDALGO}}, {{TAG|ISIF}}, {{TAG|ISYM}}
 
== Related Tags and Sections ==
 
{{TAG|OUTCAR}}, {{TAG|IALGO}}, {{TAG|IBRION}}, {{TAG|ISIF}}


{{sc|NWRITE|Examples|Examples that use this tag}}
{{sc|NWRITE|Examples|Examples that use this tag}}
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[[Category:INCAR]][[Category:Electronic Minimization]]
[[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