我正在尝试编译并运行博士论文中相对较旧的代码，您可以在this文档的附录C和D中找到完整的代码。 以下是代码中的必要部分：
来自wfMath.f90：
subroutine wfmath_gaussian(widthz,pz)
use progvars
implicit none
real*8, intent(in) :: widthz ! the width of the wavepacket
real*8, intent(in) :: pz ! momentum
integer :: nR
real*8 :: rvalue
complex*16 :: cvalue
! complex*16 :: psi !!!ORIGINAL CODE LINE 23/02/2018. Saba
complex*16, dimension(1) :: psi !!! psi is originally defined as a scalar. But wfmath_normalize(wf) takes a rank-1 tensor as
!argument. So here I change the declaration of psi from a scalar to a rank-1 tensor contains only one element. 23/02/2018. Saba
real*8 :: z2
z2 = minz + deltaz
do nR=1, nz
rvalue = exp( -((z2-centerz)/widthz)**2 /2 )/ (2*pi*widthz) !!!ORIGINAL CODE LINE
!rvalue = exp( -((z2-centerz)/1.0d0)**2 /2 )/ (2*pi*1.0d0)
cvalue = cdexp( cmplx(0.0,1.0)*(pz*z2))
psi(nR) = rvalue * cvalue
z2 = z2 + deltaz ! next grid position in x-direction
enddo
call wfmath_normalize(psi)
end subroutine wfmath_gaussian
- 主要部分：
subroutine init
use progvars
use strings;
use wfMath;
use wfPot;
!use tdseMethods;
implicit none
integer :: nloop
real*8 :: widthz,pz
select case (trim(molecule))
case("H2")
mass = 917.66d0; nz = 2048; deltaz = 0.05d0;
case("D2")
mass = 1835.241507d0; nz = 1024; deltaz = 0.05d0;
case("N2")
mass = 12846.69099d0; nz = 512; deltaz = 0.01d0;
case("O2")
mass = 14681.93206d0; nz =8192 ; deltaz = 0.005d0;
case("Ar2")
mass = 36447.94123d0; nz = 65536; deltaz = 0.002d0;
end select
maxt = 33072.80d0 !800fs ! maximum time
deltat = 1.0d0 ! delta time
widthz = 1.0d0 ! width of the gaussian
minz = 0.05d0 ! minimum z in a.u.
maxz = nz * deltaz ! maximum z in a.u.
centerz = 2.1d0 ! center of the gaussian
nt = NINT(maxt/deltat) ! time steps
pz = 0.d0 ! not used currently
!_____________________________FFT Section____________________________________________
deltafft = 20.d0* deltat !1.0d0*deltat ! time step for FFT
nfft = NINT(maxt/deltafft) ! no of steps for FFT
!_________________________absorber parameters_______________________________________
fadewidth = 10.d0 ! the width of the absorber in a.u.
fadestrength = 0.01d0 ! the maximum heigth of the negative imaginary potential
!_________________________E FIELD section_____________________________________________
Ewidth = 1446.2d0 !35fs ! width of the envelope
Eo = 0.053 !E14 ! field amplitude
Eomega = 0.057d0 !800nm ! laser frequency
! Eomega = 0.033d0 !1400nm ! laser frequency
Ephi = 0.d0 ! carrier envelope phase
Eto = 1000.d0 ! ecenter of the Gaussian envelope
EoPed = 0.0755 !2E14
EwidthPed = 826.638 !20fs
EomegaPed = Eomega
EphiPed = 0.d0
EtoPed = 1000.d0
EoPump = 0.053 !1E14 0.00285d0
EwidthPump = Ewidth
EomegaPump = 0.057d0
EphiPump = 0.0d0
EtoPump = 0.d0
includeAbsorber = .true. ! switch for absorber
includeField = .true. ! .false. ! switch for efield
includePedestal = .false. ! switch for pedestal
includeConstantPump = .true. ! .false. ! switch for efield
useADK = .false. ! ADK switch
calculatePowerSpectra = .true.
calculateKERPowerSpectra = .true. !.false.
!_____________________________Printing & Plotting Filters__________________________________
printFilter = nz
maxFrequencyFilter = 500
printInterval =100 !200
! print filter upper boundary check
if(printFilter > nz) then
printFilter = nz
end if
call allocateArrays();
do nloop = 1,nz
Z(nloop) = minz+ (nloop)* deltaz;
P(nloop) = 2*pi*(nloop-(nz/2)-1)/(maxz-minz);
E(nloop) = 27.2*(P(nloop)**2)/(4.d0*mass);
end do
! call wfmath_gaussian(psiground,widthz,pz) !!! ORIGINAL CODE LINE
call wfmath_gaussian(psiground,real(widthz),pz) ! Attempt to solve mismatch error. Does not work. Saba 24/02/2018
! call wfmath_gaussian(psiground,1.0d0,pz) ! Attempt to solve mismatch error. Does not work. Saba 23/02/2018
! call wfmath_gaussian(pz) ! Attempt to solve mismatch error. Does not work. Saba 23/02/2018
call setabsorber_right(fadewidth, fadestrength)
call printpsi(psiground,trim(concat(outputFolder,"psi_gausssian.dat")))
call potentials_init(nz) !initialize potential arrays
call read_potential();
end subroutine init
据我了解，根本没有不匹配。 widthz在代码的主要部分（子程序init）中声明为实数* 8，子程序wfmath_gaussian（...）期望widthz为实数* 8。我看不出这个不匹配错误发生在哪里？
使用的编译器：GNU Fortran 6.3.0
使用了编译行：$ gfortran tdse.f90
错误消息：
tdse.f90:159:118:
call wfmath_gaussian(psiground,real(widthz),pz) ! Attempt to solve mismatch error. Does not work. Saba 24/02/2018
(1)
Error: Type mismatch in argument 'widthz' at (1); passed COMPLEX(8) to REAL(8)
提前致谢...