exercises:2014_uzh_molsim:chp_cu111
Differences
This shows you the differences between two versions of the page.
Both sides previous revisionPrevious revision | Next revisionBoth sides next revision | ||
exercise:mm_uzh:chp_cu111 [2014/06/30 14:05] – talirz | exercise:mm_uzh:chp_cu111 [2014/07/03 17:34] – talirz | ||
---|---|---|---|
Line 127: | Line 127: | ||
- Read through section 2.1 of the work by [[doi> | - Read through section 2.1 of the work by [[doi> | ||
- Look inside '' | - Look inside '' | ||
- | - Visualize | + | - Run the geometry optimization, |
- What is the adsorption height of the molecule? | - What is the adsorption height of the molecule? | ||
- In order to calculate the //binding energy// of CHP adsorbed on Cu(111), perform geometry optimizations of the isolated molecule as well as the clean slab. //Hint:// Start from '' | - In order to calculate the //binding energy// of CHP adsorbed on Cu(111), perform geometry optimizations of the isolated molecule as well as the clean slab. //Hint:// Start from '' |
exercises/2014_uzh_molsim/chp_cu111.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1