mirror of
https://github.com/LCPQ/quantum_package
synced 2024-06-27 07:32:15 +02:00
16 lines
403 B
Fortran
16 lines
403 B
Fortran
program guess_mimi
|
|
BEGIN_DOC
|
|
! Produce `H_core` MO orbital
|
|
END_DOC
|
|
implicit none
|
|
character*(64) :: label
|
|
|
|
mo_coef = ao_ortho_lowdin_coef
|
|
TOUCH mo_coef
|
|
label = "Guess"
|
|
call mo_as_eigvectors_of_mo_matrix(ao_overlap, &
|
|
size(ao_overlap,1), &
|
|
size(ao_overlap,2),label,-1)
|
|
call save_mos
|
|
end
|