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authorMario Forzanini <mf@marioforzanini.com>2024-11-15 07:51:27 +0100
committerMario Forzanini <mf@marioforzanini.com>2024-11-15 07:51:27 +0100
commit96d09df54bce35fb28d643d779c42a7891f06fe3 (patch)
tree44657ad7fc227e3c20098a865988c6a0c95cc6eb /README.md
parent22afe28b956663ac32fb299a806ed8a3095c7d7f (diff)
Update READMEHEADmaster
Diffstat (limited to 'README.md')
-rw-r--r--README.md9
1 files changed, 5 insertions, 4 deletions
diff --git a/README.md b/README.md
index b397e21..0095ee9 100644
--- a/README.md
+++ b/README.md
@@ -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