LDAUPRINT: Difference between revisions
No edit summary |
No edit summary |
||
| Line 1: | Line 1: | ||
{{TAGDEF|LDAUPRINT|0 {{!}} | {{TAGDEF|LDAUPRINT|0 {{!}} 1|0}} | ||
Description: {{TAG|LDAUPRINT}} controls the verbosity of a DFT+U calculation. | Description: {{TAG|LDAUPRINT}} controls the verbosity of a DFT+U calculation. | ||
Revision as of 08:33, 11 April 2023
LDAUPRINT = 0 | 1
Default: LDAUPRINT = 0
Description: LDAUPRINT controls the verbosity of a DFT+U calculation.
- LDAUPRINT=0: The occupancy matrix is not written to the OUTCAR file.
- LDAUPRINT=1: The occupancy matrix is written to the OUTCAR file at each iteration.
Related tags and articles
LDAU, LDAUTYPE, LDAUL, LDAUU, LDAUJ, LMAXMIX, DFT+U: formalism