[QE-users] input file for calculating the partial phonon density of state for xml file

BENYAHIA NEZHA BENYAHIA-NEZHA at hotmail.fr
Tue Jun 25 15:11:04 CEST 2019


Dear quantum espresso users,
I have calculated the phonon dispersion of GaAs compound using Thermo_pw tool. However i need now the input file for calculating the Projected density of state of phonon (PPDOS) of each atom using thermo_pw. I've tried to calculate them using QHA package included in quantum espresso, but it requires the interatomic constant force file GaAs.fc which is in xml extension in THE THERMO_PW.
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