[QE-users] dvscf file from a grid ph.x run

[Ankit Jain]

Thanks a lot Thomas.

This helps a lot.


Thanks,

Ankit Jain

________________________________
From: Dr. Thomas Brumme <thomas.brumme at uni-leipzig.de>
Sent: Wednesday, July 10, 2019 9:23:54 AM
To: Quantum ESPRESSO users Forum; Ankit Jain
Subject: Re: [QE-users] dvscf file from a grid ph.x run

Dear Ankit,

this discussion might help:

https://www.mail-archive.com/users@lists.quantum-espresso.org/msg33771.html

Regards

Thomas

Zitat von Ankit Jain <ajain at fysik.dtu.dk>:

> Dear users,
>
>
> I have been trying to collect and merge .dvscf files from a grid
> example of ph.x and combine these files into a single file (like it
> was created from serial single job).
>
>
> So far I have little success on this. I searched on the mailing list
> and it seems that the similar question was asked earlier:
>
>
> https://www.mail-archive.com/users@lists.quantum-espresso.org/msg29613.html
>
>
> The suggestion from this earlier question was to write a small
> fortran script capable of reading and combining these binary files.
> I am wondering if such utility already exists or if not, if someone
> can point to piece of source code where these files are written so
> that I can attempt to read and combine these files.
>
>
> Thank You,
>
> Ankit Jain
>
> Denmark Technical University

--
Dr. rer. nat. Thomas Brumme
Wilhelm-Ostwald-Institute for Physical and Theoretical Chemistry
Leipzig University
Phillipp-Rosenthal-Strasse 31
04103 Leipzig

Tel:  +49 (0)341 97 36456

email: thomas.brumme at uni-leipzig.de

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