Re: Polar Optical Phonon Calculation

Hi,

I am trying to implement the Frohlich Electron-Phonon Vertex in the paper

https://arxiv.org/abs/1510.06373.

For eigendisplacements in the matrix element expression, I am using the values generated after running DFPT (Quantum Espresso). Also since my analysis involves only optical phonons, I consider q points very close to the gamma points with constant energies as that at gamma point.

1.So, the question is, can I directly use the eigendisplacement values generated by QE since these values are divided by sqrt(mass) and then normalized and the Frohlich interaction expression again has the term 1/sqrt(mass)???

2. Also, what does normalization within a unit cell mean as in the paper mentioned above???

Thank You,

Ankit Sharma