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Replies : 0 Last Post : May 26, 2011 (Thu) 01:03:22

6018

KKR-CPA with Phonopy?

Posted on : May 26, 2011 (Thu) 01:03:22

by iamikaruk

Hi, Dear all
Is it possible to calculate the force-constant from KKR-CPA with supercells and feed the result into Phonopy? Thanks very much!