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- 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 ...