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by yuxuan
Sun Aug 20, 2023 2:08 pm
Forum: Electron-phonon
Topic: A-SDM - ZG-relax.in
Replies: 1
Views: 38091

A-SDM - ZG-relax.in

I asked this question to Marios Zacharias via email and he encouraged me to post it here: Did we use equation12 in https://arxiv.org/abs/2212.10633 to get the coordinates in Zg-relax.in, using the monomorphous harmonic calculation's IFC? So effectively I already did the first ZG displacement before ...