On 23/10/17 18:36, Nicola Marzari wrote: > if indeed you want to apply an external magnetic field, that is not > possible (in most codes - see the paper by Wei Cai and Giulia Galli > PRL 2005 or so on how this could be done).
Interesting, I would have naively thought that computing the total energy as a function of (imposed) total magnetisation would allow one to get the magnetic permeability and everything else from that. Looks like I'll have to read the literature! -- Lorenzo Paulatto - Paris _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
