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Dear all,
Initially, I performed Gaussian calculation by option such as
lower part.
# UB3LYP/STO-3G SCF
(Conver = 4) Opt Freq Test
But, "Maximum Force" value was not converged, and I can't
optain good result.
So, I have wanted to use the "StepSize" option, and performed
calculation by following option.
# UB3LYP/STO-3G SCF (Conver = 4) Opt(StepSize=5) Freq Test
By the way, syntax error happens continually. I can't
find a reason why occured this error.
Do you know about this problem? Help me,
plz~!
Thank you for reading.
Regards,
Kwanyong
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Kwanyong Seo : (E-mail) cupid - at - mail.kaist.ac.kr (first) cupid - at - kaist.ac.kr (MSN) chemist_sky - at - hotmail.com M.S. candidate Department of Chemistry Korea Advanced Institute of Science & Technology 373-1, Guseong-dong, Yuseong-gu, Taejon, Republic of Korea 305-701 +++++++++++++++++++++++++++++++++++++++++++++++++++ |