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

[Paolo Giannozzi]

In my experience, "huge number of bonds" == "your structure is wrong"

Paolo

On 3/14/25 09:25, Ms. Chandrika K. via users wrote:
> 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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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216