LDAUPRINT: Difference between revisions
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{{TAGDEF|LDAUPRINT|0 {{!}} 1|0}} | {{TAGDEF|LDAUPRINT|0 {{!}} 1|0}} | ||
Description: {{TAG|LDAUPRINT}} controls the verbosity of | Description: {{TAG|LDAUPRINT}} controls the verbosity of a DFT+U calculation. | ||
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*{{TAG|LDAUPRINT}}=0: The occupancy matrix is not written to the {{FILE|OUTCAR}} file. | *{{TAG|LDAUPRINT}}=0: The occupancy matrix is not written to the {{FILE|OUTCAR}} file. | ||
Revision as of 08:26, 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: Write occupancy matrix to the OUTCAR file.
Related tags and articles
LDAU, LDAUTYPE, LDAUL, LDAUU, LDAUJ, LMAXMIX, DFT+U: formalism