[gpaw-users] problem of electronic convergence

Ask Hjorth Larsen asklarsen at gmail.com
Thu Jan 17 15:35:03 CET 2013


Dear Vladislav

Can you send a text output file showing it not converging?

Regards
Ask

2013/1/17 Vladislav Ivanistsev <olunet at gmail.com>:
> Dear Ask,
> a while ago you have "magically" resolved a problem of electronic
> convergence in BN or Graphene slab. I'm also having a problem with
> convergence for several systems. One is attached. Could you please take a
> look and provide some explanation on how to converge similar calculations.
> I'm using GPAW 0.9
>
> Many thanks,
> Vladislav


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