[Pw_forum] help: Pt phonon calculation
yuhailin_79 at msn.com
Sun Sep 17 15:13:35 CEST 2006
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
Thanks in advance!
Thanks a lot!
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