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I am sorry for DDB file I mean file that generated during phonon calculation at Gamma

Hello, dear colleges! I faced with question what target steps should be done to calculate phonon density of state. As I understood I should use ANADDB utility. What I have done already - I successfully calculated phonon frequency at gamma point and using ANADDB fount symmetry for each calculated pho...

Dear Colleagues, we are trying to get frequency at gamma point for S2P2S6 type structure having space group P2_1/c (#14) . We are getting the frequencies at gamma point (first 10 modes) as below: Phonon wavevector (reduced coordinates) : 0.00000 0.00000 0.00000 Phonon frequencies in cm-1: - -1.5562...