diff --git a/docs/basics/example.rst b/docs/basics/example.rst index 7d4d0aa..5ed6851 100644 --- a/docs/basics/example.rst +++ b/docs/basics/example.rst @@ -1,2 +1,33 @@ Examples -======== \ No newline at end of file +======== + +Here we show the performance of the pgm package on two important materials of importance to geophysics and planetary modeling: cubic CaSiO3 perovskite (cCaPv), a highly anharmonic insulator without an approachable ground state, and B8 FeO, a metallic system with an approachable ground state. + +Example 1: cubic CaSiO3 perovskite (cCaPv) +------------------------------------------- + +To run the example, execute the following commands in your terminal: + +.. code-block:: bash + + cd examples/casio3 + pgm run casio3.yaml + +The results will be generated in `./results/`. + +Example 2: NiAs-type ferrous oxide (B8 FeO) +------------------------------------------- + +To run the example, execute the following commands in your terminal: + +.. code-block:: bash + + cd examples/feo + pgm run feo.yaml + +The results will be generated in `./results/`. + +Note +---- + +For detailed calculation, method information and results, please refer to `our paper `_.