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Calculating Density of States and Band Gap of Diamond Crystal Structure

Posted 22 juin 2016, 10:37 UTC−4 Version 4.3b, Version 4.4, Version 5.0 1 Reply

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Can anyone in this forum tell me if COMSOL can calculate density of states and band gap of a crystal structure.

Thank you
1 Reply Last Post 23 juin 2016, 11:00 UTC−4
Daniel Connelly
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Posted: 8 years ago 23 juin 2016, 11:00 UTC−4
Yes -- write a library function to have COMSOL call VASP or Quantum Espresso :).

Yes -- write a library function to have COMSOL call VASP or Quantum Espresso :).

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