[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/thermo_pw-forum/attachments/20210717/cca28334/attachment.html>
More information about the Thermo_pw-forum
mailing list