[Wannier] Fit the bandstructure to DFT's results under an exteral applied electric field
liujiang86 at gmail.com
liujiang86 at gmail.com
Fri Jan 15 13:10:35 CET 2016
Dear Wannier90 users,
I am working with the code on 2D materials under an normal exteral electric field. I am wondering whether wannier90 can fit well the bandstructure to DFT's results under an exteral applied electric field? Attempts were made, I got the following results (red: wannier fitting; green: dft results). Is it possible to remove the anomalous fluctuatation for band dispersion near the Fermi level?
Sincerely yours,
Liujiang Zhou
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