[gpaw-users] Re: Convergence error

Vincent Davesne vida at fysik.dtu.dk
Tue Apr 20 13:39:52 CEST 2010


Ask Hjorth Larsen wrote:
> On Tue, 20 Apr 2010, Vincent Davesne wrote:
> (...)
>>
>> You mean that I can't get a proper calculation with this version of 
>> gpaw? Aaaaw...
>>
>> Best Regards,
>> Vincent
>
> The forces do work (and have for a long time) in orthorhombic unit cells.
>
> Regards
> Ask
I will transform my slab into an orthorhombic one, then. It shouldn't 
change the result.

Thanks for your help,
Vincent


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