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1.11 How do I calculate the elastic constants?

Use what='scf_elastic_constants'. See example13. The elastic constants appear in the output of THERMO_PW and also in a file called by default output_ el_cons.dat, a name that can be changed in the THERMO_PW input. This file can be read by THERMO_PW for the options that require the knowledge of the elastic constants.



2024-02-14