Dear all,
does anybody know how to calculate the dipolar contribution to MAE with VASP? I did not found any information about this in manual. However, there is a work (PRB 82 094409) where it was calculated by VASP.
Best regards,
Mikhail
Dipolar contribution to MAE
Moderators: Global Moderator, Moderator
-
blazing
- Newbie
- Posts: 19
- Joined: Wed Jul 01, 2009 10:14 am
- License Nr.: 845
- Location: Tomsk, Russia
Dipolar contribution to MAE
Last edited by blazing on Mon Nov 07, 2011 9:20 pm, edited 1 time in total.
-
admin
- Administrator
- Posts: 2921
- Joined: Tue Aug 03, 2004 8:18 am
- License Nr.: 458
Dipolar contribution to MAE
Vasp does not calculate the dipolar contribution to MAE directly. It can be calculated by summation over magnetic atoms according to procedure discussed in detail in many papers, e.g. PRB 51 (1995) 9552.
Last edited by admin on Tue Nov 08, 2011 7:52 pm, edited 1 time in total.
-
blazing
- Newbie
- Posts: 19
- Joined: Wed Jul 01, 2009 10:14 am
- License Nr.: 845
- Location: Tomsk, Russia
Dipolar contribution to MAE
Thanks a lot, very grateful for your answer!
Last edited by blazing on Wed Nov 09, 2011 12:35 pm, edited 1 time in total.