[Pw_forum] transition state

[Stefano Baroni]

Why don't you want to use NEB? Which other method would you like to  
use? SB
(too much of a hassle signing your correspondence?)

On Apr 29, 2007, at 12:42 PM, ÇÍÓÇä ÚÑíÞÇÊ wrote:

> Hi,
> transition state structures can be determined by
> searching for first order saddle points on the
> potential energy surface ,how we can do this using
> pwscf without using neb .
> thanks
>
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---
Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center -  
Trieste
[+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype)

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