Add cp example

docs/source/examples.md

@@ -33,6 +33,12 @@ The gallery of examples below cover different ways in which calphy can be used t
 :link-type: doc
 ```
 
+```{grid-item-card} Calculation of specific heat of Cu
+:img-top: example12.png
+:link: examples/example_12/analysis
+:link-type: doc
+```
+
 ```{grid-item-card} Running calphy from jupyter notebooks
 :img-top: example06.jpg
 :link: examples/example_06/analysis

examples/example_12/input.yaml

@@ -0,0 +1,27 @@
+calculations:
+- element: Cu
+  lattice: fcc
+  mass: 63.546
+  equilibration_control: berendsen
+  md:
+    timestep: 0.001
+  mode: ts
+  n_equilibration_steps: 10000
+  n_iterations: 1
+  n_switching_steps: 50000
+  pair_coeff: '* * ../potentials/Cu01.eam.alloy Cu'
+  pair_style: eam/alloy
+  pressure: 0.0
+  queue:
+    commands:
+    - conda activate calphy-dev
+    cores: 4
+    scheduler: local
+  reference_phase: solid
+  repeat:
+  - 10
+  - 10
+  - 10
+  temperature:
+  - 400.0
+  - 1200.0