[QE-users] how to run ibrav2cell.x?
Paolo Giannozzi
p.giannozzi at gmail.com
Wed Sep 9 10:33:21 CEST 2020
On Wed, Sep 9, 2020 at 4:09 AM Hari Paudyal <hpaudya1 at binghamton.edu> wrote:
Can anyone help me how to use ibrav2cell.x? It says it read the standard PW
> input
>
no, it says something different:
WRITE(*,*) "This code reads a &system/ namelist from standard input"
WRITE(*,*) "containing ibrav and celldm(1..6) as in INPUT_PW."
It is admittedly ambiguous: "containing ONLY ibrav and ...." would be
clearer
Paolo
, but I could not run for my scf.in (PW_input)
>
> I used; ibrav2cell.x <scf.in
> it does not work.
>
> On the other hand cell2ibrav.x is very easy to use and very helpful.
>
> I appreciate any suggestions.
>
> Sincerely,
> Hari
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--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
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