Dear Graeme,
Thank you for your answer. That makes sense!
Maybe I will look for another way to calculate dipoles on ions in Vasp.
Thanks again
Search found 2 matches
- Mon Nov 02, 2009 3:49 pm
- Forum: Bader
- Topic: calculating dipole moments
- Replies: 2
- Views: 11645
- Mon Nov 02, 2009 11:53 am
- Forum: Bader
- Topic: calculating dipole moments
- Replies: 2
- Views: 11645
calculating dipole moments
Is it still possible to calculate dipole moments on ions using this program. I have looked in the source code and it appears that this has been possible in the past. Is there a reason that you can no longer generate a dipole.dat file with this code?
Many thanks in advance for any help with this!
Many thanks in advance for any help with this!