[Pw_forum] Phonones

Paul Jennings pcj994 at bham.ac.uk
Mon Feb 21 13:00:15 CET 2011

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
  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 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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