[Pw_forum] molecule raman tensor calculation meet error

[jinxi]

Dear all:
I try to calculate the raman tensors of pyridine molecule:
phonons of py at Gamma
 &inputph
  tr2_ph=1.0d-14,
  prefix='py',
  epsil=.true.,
  trans=.true.,
  lraman=.true.,
  elop=.true.,
  amass(1)=12.01,
  amass(2)=14.007,
  amass(3)=1.0079,
  outdir='./stor',
  fildyn='py.dynG',
  fildrho='py.drho',
 /
0.0 0.0 0.0
Then the output file gives the error:
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from io_pattern : error #         1
     wrong iflag
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...
Is there anything wrong with my input?
Many thanks!
best wishes
jinxi



-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20111005/a831d531/attachment.html>