11:02:12 AM PST - Mon, Feb 25th 2013 |
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Tom
Could you please send us your input file or uploaded to a website?
Thanks, Edo
Quote:Hanlonte Feb 23rd 11:38 amI'm attempting to run a geometry optimization on a fluoride at the DFT level of theory using the B3LYP functional, ZORA, and ANO-RCC basis set. However I've arrived at the following error and can't for the life of me figure out what it's trying to tell me. The message is:
int_init: internal texas instability possible cando_txs set to always be F
Segmentation fault
Any ideas on how to address this are most appreciated.
Thanks in advance,
Tom
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