[Pw_forum] Negative phonon frequency

mayank gupta mayankaditya at gmail.com
Wed May 11 11:48:13 CEST 2011


Hi Dear User's


I am trying to calculate the phonon frequency of SrFeO compund, but I
got negative frequancies at gamma also at other Q points, while I have
chossen very high cutoff (ecut=100Ry and ecut_rho=1000), while
experimentally the structure is stable at room temperature even up to
very low temperature. what could be the possible reason for such
negative frequecies.

-- 
Mayank

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