[Pw_forum] 3rd order Interatomic force constant : thirdorder.py

Prasad Matukumilli prasadchoudary at gmail.com
Sun Feb 11 14:41:54 CET 2018

Dear QE users,
 I wish to calculate interatomic force constant 3rd order,
which is required as input to use ShengBTE to calculate thermal
Please anyone help me in getting IFC 3rd order. I am using QE. 5.2.1

You can use "thirdorder.py" code of ShengBTE to generate 3rd  IFCs, go
through its documentation for more details

Best regards,
Prasad Matukumilli
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