How to calculate magnetic anisotropy energy (MAE)?

Posted on : May 13, 2024 (Mon) 15:53:24

by ZIMING

maybe use aux? I do not find it in the manual

[Re:04] How to calculate magnetic anisotropy energy (MAE)?

Posted on : May 26, 2024 (Sun) 00:28:19

by ZIMING

Hello Hitoshi GOMI,
Thanks a lot.I get it.

ZIMING

[Re:03] How to calculate magnetic anisotropy energy (MAE)?

Posted on : May 24, 2024 (Fri) 17:44:06

by Hitoshi GOMI

Hello ZIMING,

>or the magnetic axis just lays on the z axis

Yes, the z-axis is the magnetic axis.

Hitoshi GOMI

[Re:02] How to calculate magnetic anisotropy energy (MAE)?

Posted on : May 24, 2024 (Fri) 16:14:39

by ZIMING

Hello Hitoshi GOMI,
Thanks.But I still confused whether the magnetic axis rotated with the crystal tilting, or the magnetic axis just lays on the z axis, or the magnetic axis could set the selected orientation?

ZIMING

[Re:01] How to calculate magnetic anisotropy energy (MAE)?

Posted on : May 23, 2024 (Thu) 01:58:08

by Hitoshi GOMI

Hello ZIMING,

If you are looking for a way to tilt crystals, you can use the keyword "tlt”.

>Also, it is now possible to tilet the crystal axis. It is
>done by using "tlt" keyword attached after bravai type
>or "aux" ("prv"), like
>
>fcctlt 0 90 0 6.65
>
>or
>
>auxtlt -0.5 0.5 0.5 0.5 -0.5 0.5 0.5 0.5 -0.5 0 90 0 5.27
>
>In both cases crystal is tilted by Euler angle (0, 90, 0).

Hitoshi GOMI