[Pw_forum] graphene scf calculation

Vit vitruss at gmail.com
Wed Nov 11 10:42:13 CET 2009

Dear all!
I'm trying to plot graphene band structure as a part of computations of  
carbon based composites. But scf calculation for graphene can't achieve  
convergence. I've tried different mixing_beta, mixing_mode, degaus ant  
ecutwfc. The example input file is attached. Could you please tell me  
which parameters I should tune to achieve convergence?

Thanks in advance,
Koroteev Victor
PhD student,
Nikolaev Institute of Inorganic Chemistry SB RAS
Novosibirsk, Russian Federation.
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