[Pw_forum] error: "ortho went bananas" in cp.x run

[Bramha Pandey]

Dear Emine and Prof. Paolo,
Thanks for your reply. I am able to run cp.x  with NCPP pseudo-potentials
with putting the orthonormalization= 'ortho' and puting the dt=2, as
suggested by Prof. Paolo. But facing to run USPP type pseudopotntial in
cp.x and gives the above mentioned error:   ' ortho went bananas'.
....

> Besides Paolo's suggestions:
>
> 1.I would specifically add that atomic positions are in crystal
> coordinates by {crystal}
> 2.Update to the latest version of the code,

I am using espresso-5.0.1 with 32 machine in serial mode (single machine ).

> or even SVN version,
> since certain type of ultrasoft pseudopotentials were not treated
> correctly in cp until not that long ago.
>
Then how i can check which USPP type should we use in cp.x run because
i  face the problem to run the USPP based cp.x run.

> 3.Perform the same calculation with norm conserving pseudopotenials
> and let us know if anything changes.
>
I am able to run cp.x for the norm conserving pseudopotenials.

>
> --
Thanks and Regards
Bramha Prasad Pandey
Indian School of Mines(ISM)
Dhanbad, INDIA.
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