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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