Bug in dym2feffinp

[rafaelpap]

If the dym file is of type 3, the dipole derivatives are read but not written after printing the block dynamical matrix.
This renders the created feff.dym file unusable.

I believe that adding something like this solves the problem:

`*** /usr/local/feff10-10.0.0/src/DMDW/m_dmdw.f90.ORIG 2022-04-03 10:58:24.219007337 +0200
--- /usr/local/feff10-10.0.0/src/DMDW/m_dmdw.f90 2022-04-03 11:18:50.495637646 +0200

---

*** 2537,2542 ****
--- 2537,2559 ----
end do
end do

• ! Added by RRP to write the dipole derivatives for IR spectrum

• if ( dym_In%Type .eq. 3 ) then
  

• ! Empty separator line

•   write(IO_dym,fmt='(a)') ''
  

• ! Read the dipole derivatives and store in the right order
• ! This order should allow us to use the dip. derivs directly as Lanczos seed.

•   do iAt=1,dym_In%nAt
  

•     do ip=1,3
  

•       write(IO_dym,fmt='(3e14.6)') (dym_In%Dip_Der(jq,Swap(iAt),ip),jq=1,3)        
  

•     end do
  

•   end do
  

• end if
  

• ! Added by FDV to write the cell vectors, if we have the right dym type
  if ( dym_In%Type == 4 ) then
  `