Dear Prof. Graeme
Thank you for your answer and advises.
All calculations go good.
Thank you.
Search found 2 matches
- Tue Feb 26, 2013 8:58 am
- Forum: VTSTTools
- Topic: Pre-Exponential factor calculation
- Replies: 7
- Views: 20383
- Fri Feb 22, 2013 3:01 pm
- Forum: VTSTTools
- Topic: Pre-Exponential factor calculation
- Replies: 7
- Views: 20383
Re: Pre-Exponential factor calculation
Dear Prof. Graeme, Admin, I have few questions regarding calculations of a prefactor. I am calculating a prefactor for bulk Ag (31 atoms + 1 vacancy) using VASP5.3.2+VTST3.0a. According to the manual (http://theory.cm.utexas.edu/vtsttools/dynmat/) I should make a DISPLACECAR file for the initial sta...