[Pw_forum] question for phonon calculation
giannozz at democritos.it
Tue Apr 21 21:04:44 CEST 2009
On Apr 21, 2009, at 20:23 , 潘登 wrote:
> I was going to calculating phonon frequency of MgB2 at Gamma point.
> But I got the minus value at the lowest three branch.
See items 1.7.2 and 1.7.3 of
plus a large number of postings (search for "negative phonon
> I also wonder how to apply 'asr' to my calculation
Paolo Giannozzi, Democritos and University of Udine, Italy
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