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

[Emine Kucukbenli]

Dear Brahma Pandey
Please follow the instructions in the link below to download the svn  
version of the code
http://qe-forge.org/gf/project/q-e/scmsvn/?action=AccessInfo
Compile, make and run the same job with this latest version of the  
code using USPP pseudos
and let us know how it works out for you.
Thanks,
emine

Quoting Bramha Pandey <pandey.bramha at gmail.com>:

> 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.