Reduced-basis method for band structure calculations.
We describe the application of the reduced-basis method in rapid and accurate determination of band energies in band structure calculations. The method is well suited for problems requiring repetitive evaluations of the band energies, especially in the many-query limit. We demonstrate the efficacy of the method in the determination of the spectral properties of crystalline silicon.
Pau
George S H
GS
Massachusetts Institute of Technology, 77 Massachusetts Avenue, Room 3-264, Cambridge, Massachusetts 02139, USA. gpau@lbl.gov