[Re:13] Regarding afm fcc-Fe convergance and higher total energy values compared to bcc fm-Fe

Posted on : January 11, 2019 (Fri) 05:56:22

by Qais Ali

Dear Hitoshi GOMI,

Thank you for your valuable suggestions and posting the deleted log again. This time I want to ask you that is it possible in AkaiKKR to specify the magnetic moments of individual atoms separately over a range of volume. If yes, then how can one do it? For example to specify the artificial magnetic moment values to atoms of a crystal structure in lower volumes where the structure is supposed to be non-magnetic.

Regards,
Qais Ali