[Wien] not reproducing MM in Cr
Lyudmila Dobysheva
lyuka17 at mail.ru
Fri Oct 9 13:01:03 CEST 2015
09.10.2015 12:42, Dr. K. C. Bhamu wrote:
> For AFM calculation:
> MMI001: 1.22743
If you do a GGA calculation you obtain for Cr more than one (but good
lattice parameters), in LDA calculation you obtain around 0.4 (but
lattice parameters a bit farther from experiment).
Best wishes
Lyudmila Dobysheva
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