LDAUPRINT
LDAUPRINT = 0 | 1
Default: LDAUPRINT = 0
Description: LDAUPRINT controls the verbosity of a DFT+U calculation.
- LDAUPRINT=0: No onsite occupancy matrix is written to the OUTCAR file.
- LDAUPRINT=1: The onsite occupancy matrix of the atoms types to which a is applied is written to the OUTCAR file at each iteration below "onsite density matrix". The eigenvalues and eigenvectors of the total (spin up + spin down) onsite matrix is also written (below "occupancies and eigenvectors").
Related tags and articles
LDAU, LDAUTYPE, LDAUL, LDAUU, LDAUJ, LMAXMIX, DFT+U: formalism