[Wien] charge fluctuation

[Seyyed Amir Abbas Emami]

​dear users 

I am working on  Mn2NbAs compound. I set the starting spin configuration u-d-d for Mn, Zr and As respectively. When i run the program the charge fluctuates around 0.02 for more than 1000 iterations and finally do not converge (I stop it). I change all of the initial parameters like: RKmax, Rmt, k-point, mixing factor and E-cut-off several times but it dos not fix.But when i change the lattice parameter from 6.04 to 6.08 or 5.98 Angstrom the charge converged rapidly. Now what is the cause of this behavior? 

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