[Pw_forum] try smd in espresso?

[Yosuke Kanai]

Dear Aaron

The example for smd option in CP code is not yet in the official 
"stable" version.
I can send you an example file which I prepared for ESPRESSO v2.1 if you 
want.
Going from NEB to SM is simple. In SMD case, optimizing the MEP is done in
CP fashion. I have not had time to prepare some documentation on how to 
use it, but
I will soon do that.

Yosuke


>
>I want to try a smd calculation.  I would like to start with a template,
>but I did not find an example.  I would like to ask: 1). Does anyone
>have one to share? - OR - 2). Is it simple to go from a neb job input to 
>smd?
>
>Thanks in advance,
>
>Aaron
>
>
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