[Pw_forum] help: Pt phonon calculation

hailin yu yuhailin_79 at msn.com
Sun Sep 17 15:13:35 CEST 2006


Dear all:
       I have some questions about the phonon calculation of Pt.
       1). Is it reasonable to calculate the phonon dispersion of Pt by 
using the Pt.pbe-rrkjus.UPF pseudopotentials?
       2). For the value of degauss, how it is reasonable? And for the 
kpoint?
Thanks in advance!
Thanks a lot!
yuhailin

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