[QE-users] using q2r.x without "fildyn"0

[Paolo Giannozzi]

Your input must contain the namelist, followed by the other mentioned data.
The code complains about the namelist if it is not there or if it has an
incorrect syntax

Paolo

On Sat, Feb 1, 2020 at 2:34 PM samira sheykhi <ssheykhi at aeoi.org.ir> wrote:

> Dear QE users and developers,
>
> In the description of the variables at the top of file "q2r.f90", I
> noticed the last lines containing:
> .
> .
> .
>
>   !  If a file "fildyn"0 is not found, the code will ignore variable
> "fildyn"
>   !  and will try to read from the following cards the missing information
>   !  on the q-point grid and file names:
>   !     nr1,nr2,nr3:  dimensions of the FFT grid formed by the q-point grid
>   !     nfile      :  number of files containing C(q_n), n=1,nfile
>   !  followed by nfile cards:
>   !     filin      :  name of file containing C(q_n)
>   !  The name and order of files is not important as long as q=0 is the
> first
>
> I tried to test the suggestion in the Si example by renaming the
> corresponding "fildyn"0 file which contains the q-grid information.
> Unfortunately I failed to successfully execute q2r.x, with error pointing
> to reading namelist.
>
> Could someone help me with providing the correct format of input file in
> this case.
>
> Samira Sheykhi, PhD
> AEOI, Tehran, Iran
>
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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
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