[QE-users] huge imaginary phonon frequencies

Fabrizio Cossu fabrizio.cossu at apctp.org
Sat Sep 21 08:34:20 CEST 2019


   Dear QE users,
although I'm able to obtain reasonable values of ω^2 for a single layer
NbSe2, I obtain huge negative values for the bulk (see jpg image in
attachment, units are the standard units used by QE). I used the inputs as
given in the tgz attachment (scf, elph, q2r, matdyn).
I'd greatly appreciate your help.

Regards,
Fabrizio

-- 
*Fabrizio Cossu*
postdoctoral fellow at APCTP (Asia Pacific Center for Theoretical Physics)

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