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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 …
Everson Gomes's user avatar
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 …
Everson Gomes's user avatar