[molpro-user] {SPAM}? Using ECP with Molpro

Grant Hill HillJG at Cardiff.ac.uk
Tue Oct 16 13:57:47 BST 2007

On 16 Oct 2007, at 11:02, lin wrote:

> Dear molpro-users,
> I am trying to use ECP with Molpro, but totally have no idea about  
> how to input the ECP, can anybody help me? Thanks a lot!

I'm not sure whether you want to use the library ECP's or input your  
own explicitly? In either case, this is covered by the manual.

A description of the format for explicitly inputting an ECP:


And also examples:


If you don't want to explicitly define an ECP, info on the library:


If you're having specific problems with either of these, please post  
back to the list with details and I'm sure someone will help.



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