[Pw_forum] Calculation of elastic constants using Quantum Espresso software
kaushik.priyadarshni at gmail.com
Wed Apr 8 15:12:25 CEST 2015
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
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