Dear colleagues
Does anyone who is familiar to the phonon vibration frequency calculation, I use it to calculate the frequency of Gamma point by the codes integrated in vasp package for only one atom, while I also use the phonopy codes calculated the forces acting on one atom and then diagonalize the force constant, but the calculated results by phonopy is 6 times of that by default calculation by vasp.
Thank you very much!
attempt frequency calculation by vasp and phonopy
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ljzhang123
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Re: attempt frequency calculation by vasp and phonopy
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