[QE-users] how to study adsorption energy

[Christoph Wolf]

Dear Sydney,

the following tools are very convenient to build surface slabs with
adsorbates as you described:

http://hjkgrp.mit.edu/content/molsimplify-tutorial-2-slab-builder
https://wiki.fysik.dtu.dk/ase/


If you want to do it more "manually" you can of course also use Avogadro,
VESTA, or simply a text editor if you have  a lot of time ;)

HTH!
Chris



-- 
Postdoctoral Researcher
Center for Quantum Nanoscience, Institute for Basic Science
Ewha Womans University, Seoul, South Korea
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