[Pw_forum] relax with casino pseudopotential

[mohaddeseh abbasnejad]

I run the calculation for the Si.
The input data were as follows:

ibrav=  2, celldm(1) =10.57, nat=  2, ntyp= 1,

    ecutwfc =18.0, nosym=.true.,
 K_POINTS {automatic}

 1 1 1  1  1  1

 Yours,
Mohaddeseh



On Wed, Apr 22, 2009 at 10:49 PM, Stefano Baroni <baroni at sissa.it> wrote:

> which system? with which input data? SB
>
>   On Apr 22, 2009, at 6:38 PM, mohaddeseh abbasnejad wrote:
>
>
>  Dear all,
>
> Why does the stresses in the run with the converted CASINO
> pseudopotential, using 1 1 1
> k points, have the undiagonal elements?
>
> Thanks in advance.
>
> Yours,
> Mohaddeseh
>
>
>
>
>
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>     ---
> Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center - Trieste
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