LDAUPRINT: Difference between revisions

Revision as of 08:31, 11 April 2023

LDAUPRINT = 0 | $\neq0$
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.

Revision as of 08:31, 11 April 2023 (view source) Ftran (talk \| contribs) No edit summary ← Older edit		Revision as of 08:31, 11 April 2023 (view source) Ftran (talk \| contribs) No edit summary Newer edit →
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	{{TAGDEF\|LDAUPRINT\|0 {{!}} <math>\~~neq~~</math>\|0}}		{{TAGDEF\|LDAUPRINT\|0 {{!}} <math>\neq0</math>\|0}}

	Description: {{TAG\|LDAUPRINT}} controls the verbosity of a DFT+U calculation.		Description: {{TAG\|LDAUPRINT}} controls the verbosity of a DFT+U calculation.