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Questions about solid state physics.
4
votes
1
answer
390
views
Optimzation for Large supercell
I am trying to optimize a copper supercell for the study of chalcones adsorption using Quantum ESPRESSO, however, the size of my supercell is large (>200 atoms) and QE can not handle it.
What is an al …
3
votes
1
answer
272
views
I'm considering to take an introduction course with textbook "Materials Science and Engineer...
People, I am a beginner in material modeling (I am studing solid state in Quantum ESPRESSO) and I am having a lot of difficulty with basic terms like "k-points", "Miller Indices", "Band Structure" etc …