Calculate elastic constants of materials using thermo_pw in Quantum Espresso

preview_player
Показать описание
This example computes the elastic constants of Aluminium Nitride (FCC) at the minimum of the Murnaghan equation.
Рекомендации по теме
Комментарии
Автор

Heartfelt thank you sir for your help .

priyankamaurya
Автор

can you specify the inputs for thermo_pw?

ammudhakshayani
Автор

please would you like to send us the input?

nohaylaregragui
Автор

thank you for the nice video, can we run this in windows ?

science_
Автор

opening thermo_control file I am getting this error please tell me a solution

ammudhakshayani
Автор

Hey, kenn. Could you send me the input file?

mzrahman.....
Автор

thankyou for this. Please suggest me how can I calculate elastic constants of 2D system?

anishalamba
Автор

how to install pw thermo in quantum espresso i am getting error please help

adarshmishra
Автор

Hey can you help me with my assignments of quantum expresso i will pay you if you do

nehasingh-pxru
Автор

thermo_pw is a special sort of junk. The developer refuses to provide support, the documentation is so scarce that you won't be able to figure out any possible troubles that are likely to happen. I advise ElaStic but bear in mind it actually requires python2.

Nickalaich