phonon & DOS
Posted: Thu Nov 12, 2009 3:17 am
Can we obtain the second derivation(symmetry) by IBRION=5 using vasp 5.2?
Can we calculate phonon frequency by IBRION=6?
When I calculate the phonon, I want to get the DOS at a special frequency,how to do?How do I set ISTART,ICHGCAR?Whether do I do a self-consistent calculation or not?
Thanks a lot !
Can we calculate phonon frequency by IBRION=6?
When I calculate the phonon, I want to get the DOS at a special frequency,how to do?How do I set ISTART,ICHGCAR?Whether do I do a self-consistent calculation or not?
Thanks a lot !