mirror of
https://github.com/LCPQ/quantum_package
synced 2024-11-03 12:43:52 +01:00
28 lines
491 B
Fortran
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
|
||
|
|
|