Hi Paolo,
Thank you for the description.
I have "ib.in" as the following;
&system/
ibrav = 4
celldm(1) = 5.82
celldm(3) = 1.14
When I run ibrav2cell.x; ibrav2cell.x <ib.in
I got the following error;
%%%%%%%%%%%%%%%%%%%%
Error in routine latgen (236):
wrong celldm(1)
%%%%%%%%%%%%%%%%%%%%
It looks like my input is not read at all.
Could you please provide an input example and the way how it is run? I
appreciate it.
Sincerely,
Hari
On Wed, Sep 9, 2020 at 4:34 AM Paolo Giannozzi <[email protected]>
wrote:
> On Wed, Sep 9, 2020 at 4:09 AM Hari Paudyal <[email protected]>
> 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
> Phone +39-0432-558216, fax +39-0432-558222
>
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
> users mailing list [email protected]
> https://lists.quantum-espresso.org/mailman/listinfo/users
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
users mailing list [email protected]
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