[ase-users] EMT-PES Script

Jens Jørgen Mortensen jjmo at dtu.dk
Tue Jan 2 14:26:43 CET 2018


On 12/25/2017 12:11 PM, Abid Channa via ase-users wrote:
> Hello ASE users,
>
> I am new in this field , I have just followed the tutorials available 
> at ASE site. Now I want to construct Potential Energy Surface of 
>  Pt111 as Pt adatom using EMT.
>
> I have already overviewed several research papers related this. But I 
> am searching suitable script for constructing this PES. Any idea about 
> this, suggestions are requested.

Can you be more specific about what kind of PES it is you would like to 
calculate?

Jens Jørgen

>
> Best Regards,
>
> /___________________________________
> /
> ABID  ALI
>
> PhD (Marie Curie-ITN) Fellow
> Theoretical Chemistry
> Science Institute, University of Iceland
> Dunhagi 3, VR-IIl
> 107 Reykjavik, Iceland
> Mobile : 003547835935
>
>
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