[molpro-user] About default procedure

Liu X liuxj at iccas.ac.cn
Fri Jan 7 02:47:57 GMT 2005


Dear users
I try to use molpro default procedure to optimize transition state, but
failed.
So molpro default procedures for geometry optimization can only be used for
minimization, right?
Thank you in advance 

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Liu Xiaojun
Institute of Chemistry, the Chinese Academy of Sciences
Tel: 86-010-62564825
Address: No.2 Zhongguancun North First Street,
       Haidian District,
       Beijing, P. R. China, 100080 

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