quantum_package/plugins/OVB/print_ovb.irp.f

28 lines
491 B
Fortran

program print_OVB
implicit none
read_wf = .True.
call provide_all
end
subroutine provide_all
implicit none
integer :: i,j,k,l,istate
do istate= 1, N_states
print*,'-------------------'
print*,'ISTATE = ',istate
print*,'-------------------'
print*,'CAS MATRIX '
print*,''
do i = min_number_ionic,max_number_ionic
write(*,'(I4,X,10(F8.5 ,4X))')i, H_OVB_naked(i,:,istate)
enddo
print*,''
print*,'-------------------'
print*,'-------------------'
enddo
end