[QE-users] error reading input namelist -- d3hess.x

marco infantino marco.infantino at hu-berlin.de
Fri Aug 2 13:34:08 CEST 2024


Hello,
I have the following hessian input calculations :
-------------
phonons (vibrational modes) of structure
  &inputph
   prefix='scf_image_4_ts_001_no_charge',
   outdir='scf_image_4_ts_001_no_charge',
   filhess='prefix.hess'
   step='1.d-3'
  /
0.0 0.0 0.0
---------------
Of course, I have the SCF calculation in the same folder, with prefix 
and outdir equal to `scf_image_4_ts_001_no_charge` .
The error I obtain from this calculation is :
---------------
  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
      Error in routine d3hess (1):
      reading input namelist
  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

      stopping ...
---------------

Is there something that I should modify in the input ?

Thanks and best,

Marco



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