[Pw_forum] gipaw calculation with DFT+U missing prefix.hub files

[Jia Chen]

Dear Paolo Giannozzi,

I used QE-6.1, and also tried QE-5.4. I checked prefix.save directory, but
didn't find prefix.hub files. Is writing prefix.hub files an option can be
activated? Thank you very much?

Cheers

On Wed, Aug 30, 2017 at 1:32 AM, Paolo Giannozzi <p.giannozzi at gmail.com>
wrote:

> It would help to know which version of the code you used. In recent QE
> versions "prefix.hub" files have been moved inside the "prefix.save/"
> directory. Maybe GIPAW is trying to read them from the old location and the
> empty files you see are just the result of a fortran open of nonexistent
> files
>
> Paolo
>
> On Wed, Aug 30, 2017 at 5:24 AM, Jia Chen <jiachenchem at gmail.com> wrote:
>
>> Dear All,
>>
>> I am not sure if this is a good place to ask this question, but since
>> gipaw depends on QE, I might try my luck here. I am trying to do nmr
>> calculation with gipaw based on DFT+U. The calculation ended on a error
>> message of missing prefix.hub files. Pwscf actually created prefix.hub
>> files with DFT+U, but those file are empty. I hope gipaw experts here can
>> help me with this issue. Appreciate it.
>>
>> Cheers
>> Jia Chen
>>
>> _______________________________________________
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>> Pw_forum at pwscf.org
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>>
>
>
>
> --
> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216 <+39%200432%20558216>, fax +39-0432-558222
> <+39%200432%20558222>
>
>
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