[Pw_forum] Does anyone have RRKJ uspp for Cr?

[degironc]

I don't have any..
I hope this info from the adomic_doc/INPUT_LD1 file might be useful:
       rho0 = charge at the origin: when the Rabe-Rappe-Kaxiras-Joannopoulos
             method with 3 Bessel functions fails, specifying rho0 > 0
             may allow to override the problem (using 4 Bessel functions)
             Typical values are in the order of 0.01-0.02       (default 
0.0)
 
best, stefano

Chao Cao wrote:

> As title. I have tried to generate the pseudopotential myself, but it 
> seems to be way too complicated. It kept complaining about stuff like:
>
>
>             integrated core pseudo-charge :   5.66
>     from compute phi : info #        -1
>     negative determinant
>
>         1 ld=   0.518427 f2ae  0.606247 faenor  0.141808
>
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 
>
>     from gener_pseudo : error #         1
>     too many nodes
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% 
>
>
>     stopping ...
>
>
> Thanks a lot.
>
> Chao Cao
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