On Mon, Aug 31, 2015 at 04:39:15PM +0500, osama rana wrote:
> Hello,is there possible to check phase transition between two phases of
> same element or compound from E-V data obtain after optimization.?if not
> then kindly suggest some other method.
> Thank you in advance
To examine phase transiti
Dear users
I am trying to obtain magnetic properties of a compound.But on the cycles, the
charge fluctuate and calculations do not converge or at least converge at many
many cycles. Can this behavior because of DOS. It seems, this compound has a
high DOS at Fermi energy (like sharp peak). Can th
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