[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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