Dear all
I am doing phonon calculation of a magnetic system, have not included any magnetic interaction on it. I am calculating phonon at 2x2x2 mesh (6 q points). I got the phonon frequency +ve at 5 q point while at one q point it is negative. I have check this with 24 x24x24 k point and with very high ecut and observed this particular phonon mode doesn't converge with k point while rest is converged. is it because of not taking in to account the magnetic part or something else. -- Mayank BHABHA ATOMIC RESEARCH CENTER MUMBAI, INDIA Office: ?022-25595606 Home: 9920397437 / 9869834437
