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

Have you found a new "Off..." bug in G09W D.01? Let me know in the comments—chances are, I’ve already lost sleep over it.

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...

D.01 is stubborn, slow, and occasionally infuriating. But it is consistent . Have you found a new "Off

If you are still running , you are likely in one of two camps: a computational chemist clinging to a validated workflow, or a graduate student forced to use the license dongle from 2014 that refuses to die. The symptom: Your molecule starts optimizing fine, then