LBLUEOUT
LBLUEOUT = .TRUE.|.FALSE.
Default: LBLUEOUT = .FALSE.
Description: for LBLUEOUT=.TRUE., VASP writes output for the free-energy gradient calculation to the REPORT-file (in case VASP was compiled with -Dtbdyn).
If LBLUEOUT=.TRUE., the information needed to compute the free-energy gradient is written in the REPORT-file after each MD step (MDALGO=1 | 2), check the lines after the header:
>Blue_moon lambda |z|^(-1/2) GkT |z|^(-1/2)*(lambda+GkT)
Related tags and articles
IBRION, MDALGO, ICONST, Blue moon ensemble, Slow-growth approach