LDAUPRINT: Difference between revisions

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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.

Revision as of 08:31, 11 April 2023

LDAUPRINT = 0 |
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

Examples that use this tag