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 BHABHA ATOMIC RESEARCH CENTER MUMBAI Office: ?022-25595606 Home: 9920397437/9869834437
