thank you dear Laurence for your reply.
I used these parameters:
RMT (Mn)=2.20 RMT (Nb)=2.32 RMT (As)=2.25 a.u.
RKmax=8
k-point=8000 points which lead to 256 special k-points.
cut-off energy = -6.5 and 7 Ry
mixing factor = default value.
and finally i do not use U potential.
Frequently this is because there is something wrong with how you have setup
the physical model, e.g. RMT, RKMAX, k-points, U etc. However, since you
did not provide any of this information it is impossible to say anything
useful.
On Tue, Jun 23, 2015 at 12:16 PM, Seyyed Amir Abbas Emami
dear WIEN2K users
I am working on Mn2NbAs compound. I can volume optimize the structure
successfully and then obtain equilibrium lattice parameter. But i have a
problem when i want to run the compound with the equilibrium lattice
parameter. actually the charge convergence fluctuate around
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