exercises:2017_uzh_cmest:adsorption
Differences
This shows you the differences between two versions of the page.
| Both sides previous revisionPrevious revision | Next revisionBoth sides next revision | ||
| exercises:2017_uzh_cmest:adsorption [2017/11/07 10:19] – [Lattice constant optimization] tmueller | exercises:2017_uzh_cmest:adsorption [2017/11/07 13:50] – [Lattice constant optimization] tmueller | ||
|---|---|---|---|
| Line 116: | Line 116: | ||
| </ | </ | ||
| + | <note warning> | ||
| + | Be careful when fitting values for the Birch-Murnaghan EOS: the volume is usually the volume per atom (and the total volume of the cell you can also get from the CP2K output). | ||
| + | </ | ||
| ===== CO adsorption on graphene ===== | ===== CO adsorption on graphene ===== | ||
exercises/2017_uzh_cmest/adsorption.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1