[Re:01] How to calculate antiferromagnetic state?

Posted on : April 20, 2017 (Thu) 21:58:27

by Hitoshi GOMI

Hello Ikeda,

> Do I have to extend the unit cell, for example to 2x2x2, and choose an arbitrary antiferromagnetic setting like this?

Yes, but an initial potential file is required.

You can prepare the initial potential with up and down spin from ferromagnetic potential file by using the fmg program in the same way as for LMD calculation, as written in the thread.

Hitoshi GOMI