[Pw_forum] Antiferro and Ferromagnetic calculations.
giannozz at nest.sns.it
Wed Mar 16 09:25:38 CET 2005
On Monday 14 March 2005 23:55, Nitya Nath wrote:
> In FM case, I should expect some net moment in cell but I am getting
> zero magnetic moment. Why is it happening?
either you did not break the symmetry with a starting ferromagnetic
polarization (see variable "starting_magnetization") or your system
doesn't like to be in a ferromagnetic state
Paolo Giannozzi e-mail: giannozz at nest.sns.it
Scuola Normale Superiore Phone: +39/050-509876, Fax:-563513
Piazza dei Cavalieri 7 I-56126 Pisa, Italy
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