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 the low-scaling RPA calculations or GW calculations and allows to compute the RPA forces on each ion. For instance
ALGO = RPAR ; LRPAFORCE = .TRUE.
computes the RPA total energy with corresponding forces, while
ALGO = G0W0R ; LRPAFORCE = .TRUE.
determines in addition the QP-energies in the GW approximation.
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.
Warning: RPA forces for metals are currently not supported. |
Related Tags and Sections
NBANDS, ALGO, IBRION, NSW, POTIM