[QE-users] wrong total_weight error

[Lorenzo Paulatto]

Hello Mohamed,
probably some problem with atoms being close to but not exactly at high symmetry positions. Its hard to say anything as you do not provide any detail.

kind regards
--
Lorenzo Paulatto - Paris
On Feb 13 2022, at 10:48 am, Mohamed Ahmed Abd-Elati <maa at niles.edu.eg> wrote:
> Dear all
> I want to calculate the phonon dispersion for MoSiN structure.
> The steps scf, ph, and q2r have completed successfully.
> During matdyan step I faced the following error
> ...........................................
> Error in routine frc_blk (1):
> wrong total_weight
>
> ........................................
> I've included all of the inputs here. .
> Best regards
>
> Mohammed A. Abdelati
> Assistant Lecturer
>
> Laser Applications in Metrology Photochemistry and Agriculture (LAMPA) Department, National Institute of Laser Enhanced Sciences (NILES), Cairo University, Giza, Egypt.
> Mobile +20 1009752922
>
> Home +201152605076
>
> E-mail ma1986ff at yahoo.com (mailto:ma1986ff at yahoo.com)
>
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