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| author | Mario Forzanini <mf@marioforzanini.com> | 2024-11-15 07:51:27 +0100 |
|---|---|---|
| committer | Mario Forzanini <mf@marioforzanini.com> | 2024-11-15 07:51:27 +0100 |
| commit | 96d09df54bce35fb28d643d779c42a7891f06fe3 (patch) | |
| tree | 44657ad7fc227e3c20098a865988c6a0c95cc6eb | |
| parent | 22afe28b956663ac32fb299a806ed8a3095c7d7f (diff) | |
| -rw-r--r-- | README.md | 9 |
1 files changed, 5 insertions, 4 deletions
@@ -152,7 +152,8 @@ your own representation of the q vectors, this requires two files: - **file_q.dat**: which is the **q** vectors file generated by [novaco_v0p5.py](../novaco_v0p5.py), - **tauvectors.dat**: which is a file containing the 6 shortest - vectors of the triangular lattice. + vectors of the triangular lattice, used to plot the first Brillouin + zone. ### Moiré pattern @@ -171,7 +172,7 @@ something like this: ```sh $ . environment.sh # If you didn't already do this -$ simulation -f 5.3 -t 5.3 -m fire -d data/bigger.lmpdat -p 5.4 moire-5.3-apot-5.4 +$ simulation r -f 5.3 -t 5.3 -m fire -d data/bigger.lmpdat -p 5.4 moire-5.3-apot-5.4 # 5.3 is ≈ the optimal angle ``` this will generate a single LAMMPs input under @@ -200,7 +201,7 @@ $ ./generate-polar-displacements.sh initial_something_something.data conf_finale ``` where `novaco.dat` refers to the output of -[novaco_v0p8.py](../novaco_v0p8.py) for the same values of the +[novaco_v1p0.py](../novaco_v1p0.py) for the same values of the parameters. `some-moire.dat` will contain the following columns: ``` @@ -223,7 +224,7 @@ figure with a legend. All of this process assumes you want to look at the displacement pattern for the NM angle, if you don't, you will have to modify the scripts so that they accept the angle as a parameter rather than -relying on the output of [novaco_v0p8.py](../novaco_v0p8.py) to find +relying on the output of [novaco_v1p0.py](../novaco_v1p0.py) to find the NM angle. # License |