Next: Single band, steepest descent
Up: Algorithms used in VASP
N.B. This document is no longer maintained, please visit our wiki.
Simple Davidson iteration scheme
The preconditioned residual vector is calculated for each band resulting in
Within this subspace the NBANDS lowest eigenfunctions are calculated
solving the eigenvalue problem
The NBANDS lowest eigenfunctions are used in the next step.
N.B. Requests for support are to be addressed to: firstname.lastname@example.org