I'm trying to optimise an organic crystal using CRYSTAL17 (PBE0) but am only getting one optimisation step completing before the calculation errors-out with a "forrtl: severe (174): SIGSEGV, segmentation fault occurred". All input parameters appear to be read correctly and the calculation is started without any obvious errors. Does anyone have any experience in unpicking why these errors occur? I'd love to get this structure optimised. Thanks.
Jason