Dear All, I want to calculate elastic constants using Quantum Espresso software.
Can anyone help me to know how to introduce strain in the crystal structure ,Is it by changing the lattice constant of the unit cell and then optimizing the structure or is it to change cell parameters and then optimizing the structure? Also, I want to calculate third order elastic constant using Quantum Espresso. Can any one tells me how to calculate third order elastic constant using Quantum Espresso? Thanks in advance Regards Priya
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