[QE-users] Xcryden :Warning message "Huge number of bonds "

[Giovanni Cantele]

Hi,
can you share the file you're trying to visualize with XCrysDen. It is
likely a problem of your input geometry,
but I'm not sure about that.
Giovanni
-- 

Giovanni Cantele, PhD
CNR-SPIN
c/o Dipartimento di Fisica
Universita' di Napoli "Federico II"
Complesso Universitario M. S. Angelo - Ed. 6
Via Cintia, I-80126, Napoli, Italy
e-mail: giovanni.cantele at spin.cnr.it <giovanni.cantele at spin.cnr.it>
Phone: +39 081 676910
Skype contact: giocan74

ResearcherID: http://www.researcherid.com/rid/A-1951-2009
Web page: https://sites.google.com/view/giovanni-cantele/home


Il giorno ven 14 mar 2025 alle ore 09:25 Ms. Chandrika K. via users <
users at lists.quantum-espresso.org> ha scritto:

> Hi all,
> When visualising the supercell of tetragonal BaTiO₃ using Xcrysden, I am
> receiving a warning message stating "Huge number of bonds." I have
> cross-verified the lattice parameters, performed vc-relax, and used the
> optimised cell parameters and atomic coordinates, but the warning persists.
> Any guidance on this issue would be of great help.
> Regards
> Chandrika
> Research Scholar
>
>
>
>
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