: The default DFT grid is set to UltraFine (99,590 grid points) for better stability in potential energy surfaces, replacing the FineGrid default of G09.
| Error Message | Likely Cause | Solution | |----------------------------------------|-----------------------------------|-----------------------------------------------| | Segmentation fault (core dumped) | Stack overflow in integral code | Increase stack limit ( ulimit -s unlimited ) | | No space left on device | Scratch accumulation | Manually delete /scratch/$USER/ ; use %NoSave | | Convergence failure in SCF | Bad initial guess | Try guess=read with previous checkpoint or scf=xqc | | Linda error: host not found | MPI/Linda misconfiguration | Ensure GAUSS_LFLAGS and rsh / ssh work correctly | Gaussian 16 Revision A.03
For a TD-DFT calculation (excited states): : The default DFT grid is set to