[Pw_forum] Phonones

[Paul Jennings]

Dear QE users

I try to do a gamma point phonon calculations for say Au6. After doing a SCF calculation (at the gamme point)
and using the input file for ph.x of the form:

Phonons of Au6 at Gamma
  &inputph
   tr2_ph=1.0d-14,
   amass(1)=196.97,
   prefix="Au6_dos",
   outdir="/scratch/heiless",
   fildyn="Au6.dynG",
  /
  0.0 0.0 0.0


the program comes up with the following error message:

from phq_readin : error #         1
cannot start from pw.x data file using Gamma-point tricks

The procedure I used works well for solid Si but unfortunately I don't know what the problem for this small
cluster is.

Any help would be appreciated.
Many thanks,
Paul


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Paul Jennings

Centre for Hydrogen and Fuel Cell Research
PEMFC Research group
School of Chemical Engineering
The University of Birmingham
Edgbaston, Birmingham B15 2TT (U.K.)

E: PCJ994 at bham.ac.uk
T: 07816644583
W: www.fuelcells.bham.ac.uk

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