LRPAFORCE
LRPAFORCE = .TRUE. | .FALSE.
Default: LRPAFORCE = .FALSE.
Description: LRPAFORCE=.TRUE. calculates forces in the RPA.
Available as of VASP.6.1.
This tag is optionally used in RPA calculations and allows to compute the RPA forces on each ion.
ALGO = RPAR LRPAFORCE = .TRUE.
This tag can be used in combination with the usual relaxation options IBRION and NSW.
Important: The RPA stress tensor is not available. |
Only ISIF=0 is supported.
Related Tags and Sections
NBANDS, ALGO, IBRION, NSW, POTIM