[QE-users] Absolute Magnetization diverging

Nicola Marzari nicola.marzari at epfl.ch
Fri Feb 14 05:37:40 CET 2025


On 14/02/2025 12:35, Johnson, Miles R. wrote:
> Oops, not new to it at this point just misread the docs 😬 unfortunately 
> SOC is necessary for what im trying to do.

You might still want to make sure you are able to do a collinear 
calculation first.

			nicola


-- 
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Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL
Director, National Centre for Competence in Research NCCR MARVEL, SNSF
Laboratory Head, PSI Center for Scientific Computing, Theory, and Data
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