anchor.diff:    stop
    end if
   !IR
  - do j=1,3
  + do j=jfirst,jlast
     mean=sum(dip(j,:))/dble(nsteps)
     dip(j,:)=dip(j,:)-mean
     v=(0.d0,0.d0)
  
positive.code: align_flag=.false.
  ignoreH=.false.
  peratom=.false.
  i=1
  cla=command_argument_count()
  if (cla==0) then
  
negative.code: end do
  write(10,'(A17,2A20)') 'Freq. (cm^{-1})', 'IR Inten.', 'QC-IR Inten.'
  write(20,'((A17),$)') 'Freq. (cm^{-1})'
  vdos_tag='VDOS-'
  if(jlast.eq.1) then
     vdos_tag='VDOSx-'
  elseif (jlast.eq.2) then
     vdos_tag='VDOSy-'
  elseif (jfirst.eq.3) then
     vdos_tag='VDOSz-'
  endif
  do i=1,ig-1
   write(20,'((A20),$)') vdos_tag//grptags(i)
  end do
  write(20,'(A20)') vdos_tag//'all'
  do i=2,pn
   freq_au=dble(i-1)/(dble(pn)*ts)
   freq_cm=(dble(i-1)/(dble(pn)*ts*au2fs))/c
  