problem in my calculation
Posted: Tue Sep 11, 2012 4:17 am
Dear sir,
In my calculations: After relaxation,I am getting magnetic moment 0 for AlN, but after i did self consistent calculations I am getting magnetic moment 0.1345...why is this difference?. Could you please tell me why is it so? . Thank you.
Best Regards
SUNNY
In my calculations: After relaxation,I am getting magnetic moment 0 for AlN, but after i did self consistent calculations I am getting magnetic moment 0.1345...why is this difference?. Could you please tell me why is it so? . Thank you.
Best Regards
SUNNY