[Pw_forum] gipaw calculation with DFT+U missing prefix.hub files
p.giannozzi at gmail.com
Wed Aug 30 07:32:11 CEST 2017
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
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.
> Jia Chen
> Pw_forum mailing list
> Pw_forum at pwscf.org
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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