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.. _eos:
=======================
Equation of state (EOS)
=======================
First, do a bulk calculation for different lattice constants:
.. literalinclude:: eos1.py
This will write a trajectory file containing five configurations of
FCC silver for five different lattice constants. Now, analyse the
result with the :class:`~ase.eos.EquationOfState` class and this
script:
.. literalinclude:: eos2.py
|eos|
A quicker way to do this analysis, is to use the :mod:`ase.gui` tool:
.. highlight:: bash
::
$ ase gui Ag.traj
And then choose :menuselection:`Tools --> Bulk modulus`.
.. |eos| image:: Ag-eos.png
|
