LDAUPRINT

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Revision as of 08:28, 11 April 2023 by Ftran (talk | contribs)

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 the onsite

ddd

Related tags and articles

LDAU, LDAUTYPE, LDAUL, LDAUU, LDAUJ, LMAXMIX, DFT+U: formalism

Examples that use this tag