[Pw_forum] SCF_for_one_atom

[Lorenzo Paulatto]

Dear Amir,
just run with less CPUs, or if for some reason you need more than 4 CPUs for a 
single atom, use the command line option "-ndiag 1" for pw.x

hth

On Tuesday, February 23, 2016 07:17:27 PM Mofrad, Amir Mehdi wrote:
> Dear all,
> 
> 
> I want to run an scf calculation for one atom of silicon in a box but I get
> the following error:
> 
> 
> from check_para_diag : error #         2
>      Too few bands for required ndiag
> 
> 
> Any help would be appreciated.
> 
> 
> Amir M. Mofrad

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Dr. Lorenzo Paulatto
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