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Top network posts
- 26 How big should a supercell be in phonon calculations?
- 14 How can I scan the whole PES of a bulk structure?
- 14 What does it mean if a strictly optimized experimental geometry presents imaginary frequencies?
- 12 How to create a 3D band structure from DFT band structure calculation?
- 11 What are the methods that can be used to ensure that an optimized geometry is a local minimum?
- 11 Are QMC calculations practical for periodic structure calculations?
- 10 Band structure with additive dispersion methods
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