Go to the source code of this file.
|
module | qs_scf_lanczos |
| module that contains the algorithms to perform an itrative diagonalization by the block-Lanczos approach
|
|
|
subroutine, public | qs_scf_lanczos::krylov_space_allocate (krylov_space, scf_control, mos) |
| allocates matrices and vectros used in the construction of the krylov space and for the lanczos refinement More...
|
|
subroutine, public | qs_scf_lanczos::lanczos_refinement (krylov_space, ks, c0, c1, eval, nao, eps_iter, ispin, check_moconv_only) |
| lanczos refinement by blocks of not-converged MOs More...
|
|
subroutine, public | qs_scf_lanczos::lanczos_refinement_2v (krylov_space, ks, c0, c1, eval, nao, eps_iter, ispin, check_moconv_only) |
| ... More...
|
|