[Pw_forum] takes time but converges

[Regassa Dhasaa]

Sir we are calculating antiferro orthorhmbic face centered (CaMnO3 attached with the mail), but at the biggning of the output it says:
WARNING ...not compatable with FFT or something and shows some matrix. Does this affect the converged result which we found ~2hr later.Style Definitions */
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--

The other question is about the
'relax' calculation for FCC (CaMnO3) it starts well by showing some six atomic position relaxations at the output but finnally it says "charge is wrong" and stops. I am starting working with the mixing beta = 0.5. What else can I try?
Sir Is it possible to create simpler G-type antiferro, so that I can reduce the time spent in hours?

Thank you for your response!



      
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