diagonalize_h
Program that extracts the
determinants n_states
lowest states of the Hamiltonian within the set of Slater determinants stored in the EZFIO directory.If
determinants s2_eig
=true
, it will retain only states which correspond to the desired value ofdeterminants expected_s2
.Needs:
read_wf
Calls:
routine()
Touches:
read_wf