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 -- ****************************************************** 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 ******************************************************