Dear All,
I have run Phonon dispersion for an alloy (which is claimed to
be unstable in literature )and got negative frequency for zasr='simple', in
q2r.in file. But when i used zasr='crystal', there is no negative frequency
in phonon dispersion curve. Is it correct to proceed further for my
calculations with second one (zasr='crystal') in q2r.in input file?
This is my calculation details:
1. SCF
2. Phonon run
3. q2r with zasr = simple and zasr
= crystal
4. PlotPhon code to postprocessing
(I have run for other two alloys for which there is no negative frequency
for zasr= simple and crystal.)
Thanks and regards
Yours Sincerely,
A.Suresh,
Post-Doctoral Fellow
Department of Physics
National Institute of Technology
Tiruchirappalli
Tamil Nadu,
India
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