Actually h_psi can be applied to whatever set of vectors. In the Davidson
diagonalization, for instance, it is applied to correction vectors having
the form D^{-1}(H-\epsilon)\psi, where D is an easy to invert approximation
of H
Paolo
On Mon, Mar 1, 2021 at 4:25 PM Andrew Xu wrote:
> Hi users,
Hi users,
I would like to use the routine h_psi on a bunch of vectors {psi} that are
not related to each other -- in the code, the psi going into h_psi is
typically applied to matrices where each column approximates a different
band, and the subroutines that h_psi calls has variables describing th
