[QE-users] How to construct the input for multi-structural material ?
Impact Group
impactgroup at proton.me
Sun Nov 20 19:50:00 CET 2022
Dear all,
I'm working on WO3 and experimentally the material has been found in a mixed state of different space groups. My question is that
1. Can such multi-structural calculation be done in quantum espresso ?
2. If yes, how to include all these structures in one input ?
Regards,
Greeshma R
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