LSTOCKHOLDER
Posted: Wed Jun 27, 2012 1:01 pm
Dear VASP users,
I just discovered the (undocumented?) keyword "LSTOCKHOLDER" in VASP. I would be highly interested in using this to obtain atomic densities - but when trying to use it on a simple a-Silicon calculation the run crashes with a seg fault after 255 loops trying to minimize some "DQ" value. Is this analysis ready to use or still under development as of vasp.5.2.12?
regards
Georg Eickerling
I just discovered the (undocumented?) keyword "LSTOCKHOLDER" in VASP. I would be highly interested in using this to obtain atomic densities - but when trying to use it on a simple a-Silicon calculation the run crashes with a seg fault after 255 loops trying to minimize some "DQ" value. Is this analysis ready to use or still under development as of vasp.5.2.12?
regards
Georg Eickerling