NWRITE: Difference between revisions
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| f+l|| first and last ionic step | | f+l|| first and last ionic step | ||
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| f | first ionic step | | f || first ionic step | ||
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| i | each ionic step | | i || each ionic step | ||
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| e | each electronic step | | e || each electronic step | ||
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| X | when applicable | | X || when applicable | ||
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|} | |} | ||
Revision as of 16:25, 16 January 2017
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 contr to elec en at each elec 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 tot energy and 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.