How to get force constant matirx?
Posted: Wed Mar 04, 2009 1:41 am
Dear all
I want to get force constant matrix, How to do this calculation?
many thanks.
I want to get force constant matrix, How to do this calculation?
many thanks.
In the current version of VASP the dynamical matrix (at the gamma point) can be evaluated by using IBRION = 5, see the manual
http://cms.mpi.univie.ac.at/vasp/vasp/node115.html
After the calculation, the frequencies and eigenvectors will be written to the OUTCAR file.
Hope this helps.
Cheers,
/Dan
<span class='smallblacktext'>[ Edited Wed Mar 04 2009, 11:01AM ]</span>