NWRITE: Difference between revisions
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== Example Calculations using this Tag == | == Example Calculations using this Tag == | ||
{{TAG|liquid Si}} | {{TAG|liquid Si}},{{TAG|Relaxed geometry}}, {{TAG|TS search using the Improved Dimer Method}}, {{TAG|TS search using the NEB Method}}, {{TAG|Vibrational Analysis of the TS}} | ||
---- | ---- | ||
[[The_VASP_Manual|Contents]] | [[The_VASP_Manual|Contents]] | ||
[[Category:INCAR]] | [[Category:INCAR]] | ||
Revision as of 11:32, 24 February 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 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.
Example Calculations using this Tag
liquid Si,Relaxed geometry, TS search using the Improved Dimer Method, TS search using the NEB Method, Vibrational Analysis of the TS