[Pw_forum] Error by generating pseudopotential

[Ary Junior]

Hi,

Without any information about your USPP, I think that something is wrong
with the B_ij matrix. Its inverse is necessary to construct the projectors.
Look for the string "The bmat matrix" in your output file and check whether
the matrix makes sense for you. What about the rcut, rcutus and reference
energies of additional projectors?

Ary Ferreira

FAPESP postdoctoral fellow
UFSCar - Brazil


On Fri, Jun 2, 2017 at 10:14 AM, Ricardo Afonso <ricardo at df.ufscar.br>
wrote:

> Dear QE users,
>
> I have tried to generate a pseudo potential, fully relativistic, for Co.
> Unfortunately I got the following error, which might be a bug. Does anyone
> know what could possibly be wrong?
>
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> %%%%%%%%%%%%%%%%%%%
>      Error in routine invmat (1):
>      error in DGETRF
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> %%%%%%%%%%%%%%%%%%%
>
> Thank you all in advance.
>
> --
> Ricardo Afonso
> Student of Magnetism and Superconductivity Group
> Federal University of Sao Carlos
>
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>



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