I am not getting accurate elastic constants while trying to use thermo_pw on Li3PS4 (space group: Pnma). I am not sure where I am going wrong as I have tried to implement the thermo_pw tool. Can you please have a look at my input files and let me know where exactly I am going wrong?
I am not sure why exactly I am facing this issue. For some materials I am geeting quite accurate values, however for some materials like in this case Li3PS4, my attempts are unsuccessful.
Verification with literature link: https://next-gen.materialsproject.org/materials/mp-985583?formula=Li3PS4#elastic_constants