[molpro-user] About default procedure

[Haitao Ma]

root,2 should be added and followed after optg card
check manual p32

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p.s.
about your latst puzzle on visualize imaginary freq.

In manual v2002.6, 
p252, it's said that .......by specifying DUMPALL
rather than DUMP all modes are written out....

good luck!

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 Dear molpro users
   I did some fre. cal. then put it to molden to visualize imaginary modes
   In molpro output I get the Imaginary Vibration, but I can not find the
   Imaginary Vibration in molden

   part of my input and output are as follows:
   input



On Fri, 7 Jan 2005, Liu X wrote:

> 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 
> 
>  ----------------------------------------------- 
> 
> 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 
> 
>  -----------------------------------------------