Tutorials

The following are several examples to explain the usage of MechElastic. Example files required to run these calculations are available in the /examples directory in the github repo.

Remember to set the flag code for the relevant DFT code.

MechElastic has two modes: stand-alone and library. The library mode is more updated and contains all the features in MechElastic.

• Stand-alone Mode
• Library Mode
  • Elastic constants and base functions
  • Equation of State (EOS) Analysis
    • plot_eos()
    • plot_enthalpy_curves()
  • ELATE
    • ELATE Object Usage
      • 1.1 Initialization of the ELATE object
      • 1.2 Interacting with the ELATE object