exercises:2018_uzh_cmest:adsorption
Differences
This shows you the differences between two versions of the page.
Next revisionBoth sides next revision | |||
exercises:2018_uzh_cmest:adsorption [2018/09/17 12:52] – external edit 127.0.0.1 | exercises:2018_uzh_cmest:adsorption [2018/11/06 09:11] – [Lattice constant optimization] abussy | ||
---|---|---|---|
Line 15: | Line 15: | ||
\end{align*} | \end{align*} | ||
- | Use the following input file as a starting point, and an adapted version of the script you documented in a [[exercises: | + | Use the following input file as a starting point, and an adapted version of the script you documented in a [[exercises: |
Extract the energies and fit $E_0$, $V_0$, $B_0$, $B_1$ using the Birch–Murnaghan EOS and using the new $V0$ determine the lattice constant. | Extract the energies and fit $E_0$, $V_0$, $B_0$, $B_1$ using the Birch–Murnaghan EOS and using the new $V0$ determine the lattice constant. |
exercises/2018_uzh_cmest/adsorption.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1