LDAUPRINT: Difference between revisions
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Description: {{TAG|LDAUPRINT}} controls the verbosity of the DFT+U routines. | Description: {{TAG|LDAUPRINT}} controls the verbosity of the DFT+U routines. | ||
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*{{TAG|LDAUPRINT}}=0: | *{{TAG|LDAUPRINT}}=0: The occupancy matrix is not written to the {{FILE|OUTCAR}} file. | ||
*{{TAG|LDAUPRINT}}=1: Write occupancy matrix to the {{FILE|OUTCAR}} file. | *{{TAG|LDAUPRINT}}=1: Write occupancy matrix to the {{FILE|OUTCAR}} file. | ||
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Revision as of 07:36, 11 April 2023
LDAUPRINT = 0 | 1
Default: LDAUPRINT = 0
Description: LDAUPRINT controls the verbosity of the DFT+U routines.
- 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