subroutine read_MOs(nBas,C,e,EJ) ! Read normalization factor and MOs (coefficients and eigenvalues) implicit none include 'parameters.h' ! Input variables integer,intent(in) :: nBas ! Local variables integer :: i,j ! Output variables double precision,intent(out) :: EJ double precision,intent(out) :: C(nBas,nBas),e(nBas) !------------------------------------------------------------------------ ! Primary basis set information !------------------------------------------------------------------------ ! Open file with basis set specification open(unit=3,file='input/MOs') ! Read MO information read(3,*) EJ do i=1,nBas read(3,*) (C(i,j),j=1,nBas) enddo do i=1,nBas read(3,*) e(i) enddo ! Print results write(*,'(A28)') '----------------------' write(*,'(A28)') 'MO coefficients' write(*,'(A28)') '----------------------' call matout(nBas,nBas,C) write(*,*) write(*,'(A28)') '----------------------' write(*,'(A28)') 'MO energies' write(*,'(A28)') '----------------------' call matout(nBas,1,e) write(*,*) ! Close file close(unit=3) end subroutine read_MOs