Hello everyone😀 

When I was using the castep module for structure optimization of cobalt doped pentlandite, the .castep result file gave an error. This error is: “Error geom_precon_exp_get_r_NN: increased r_cut to twice system extent without finding neighbors for all atoms. this can happen if your system is too small; try setting r_cut manually”. However, I did not look for the runtime parameter “r_cut” in the user manual, and subsequently added “geom_precon_r_cut: 3.0” to the .param file. However, after resubmitting the calculation task I still get the wrong .castep file, seemingly because Materials Studio 2023 does not recognize this parameter. I don't seem to be able to upload files here, I'd be happy to share my .cell files, .xsd files and .castep files if I can.