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View Code? Open in Web Editor NEWAugmented Plane Waves (both APW and LAPW), band structure computation
License: GNU General Public License v3.0
Augmented Plane Waves (both APW and LAPW), band structure computation
License: GNU General Public License v3.0
Welcome to the Computational Physics Blog Repositories!
Compute and chart DOS
With LAPW and DFT, a full potential method can be implemented. The code for DFT can be reused from the DFTAtom project https://github.com/aromanro/DFTAtom.
It won't happen soon, though, I need more motivation and free time for such a thing. Besides, there is a little too much on bandstructure computation compared with other projects, so for a while I'll take care of other subjects.
With VTK
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