Dear Chandrika, If everything works, why bother, particularly, if the structure looks reasonable; xcrysden prints this warning if a given atom has more than 15 or so bonds. If there are too many stikcs/bonds drawn, you can reduce them by amending chemical-connectivity-factor and atomic radii.
Best regards, Tone -- Jožef Stefan Institute, Ljubljana, Slovenia On Fri, 2025-03-14 at 08:25 +0000, 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 > > > > _____________________________________________________________________ > __________ > The Quantum ESPRESSO Foundation stands in solidarity with all > civilians worldwide who are victims of terrorism, military > aggression, and indiscriminate warfare. > --------------------------------------------------------------------- > ----------- > Quantum ESPRESSO is supported by MaX (www.max-centre.eu) > users mailing list users@lists.quantum-espresso.org > https://lists.quantum-espresso.org/mailman/listinfo/users _______________________________________________________________________________ The Quantum ESPRESSO Foundation stands in solidarity with all civilians worldwide who are victims of terrorism, military aggression, and indiscriminate warfare. -------------------------------------------------------------------------------- Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
