NWRITE
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
Feature NWRITE = 0 NWRITE = 1 NWRITE = 2 NWRITE = 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
Code Meaning 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. |
Important: NWRITE=4 is for debugging only. |
Related tags and articles
OUTCAR, IALGO, IBRION, MDALGO, ISIF, ISYM, EDIFF, EDIFFG, Troubleshooting electronic convergence