[Thermo_pw-forum] Young modulus of 2D material

Uttam Paliwal uttamphy at gmail.com
Sat Jul 17 11:37:17 CEST 2021


 Respected sir

I am trying to calculate the mechanical properties of 2D TiS2 . I have
successfully relaxed the structure and computed bandgap.
Now please suggest how to compute young modulus and other constants using
Thermo_pw package.

Yours sincerely
Dr.  Paliwal
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