Posts Tagged Gaussian 09w 9.5 Revision D.01 Off... Official

D.01 is stubborn, slow, and occasionally infuriating. But it is consistent .

Gaussian 09W 9.5 Revision D.01

Always, always, always put iop(5/13=1) in your route section for D.01. It prevents a specific rounding error that causes the linker to throw a Segmentation fault when reading checkpoint files. Posts tagged Gaussian 09W 9.5 Revision D.01 Off...

Ghosts in the Machine: Troubleshooting Gaussian 09W Rev. D.01 (and Why You Might Still Need It) D.01 is stubborn

Here are the three most common "Off..." scenarios I’ve debugged with this specific revision, and how to fix them. The symptom: Your molecule starts optimizing fine, then suddenly the bonds stretch to 5 Angstroms, and the energy goes positive. The log file says Optimization stopped without a clear reason. Posts tagged Gaussian 09W 9.5 Revision D.01 Off...