[Pw_forum] help: the phonon calculation

[Paolo Giannozzi]

On Monday 28 August 2006 04:23, hailin yu wrote:

> 2). For f-electronic materials (such as Pt), for their lattice dynamics
> properties, it is reasonable to calculate using PWSCF ?

it is, as long as they are correctly described by DFT, and that they
do not need a disproportionate large cutoff; i.e., often it is not.

Paolo
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