ABINIT Discussion Forums

Dear Abiniters, I have a question. When we do NLO calculations, we have to choose ixc= 3, 7 or 11. But the example in the tutorial uses 13al.pspnc and 33as.pspnc as psp whose ixc should be 1. I did the same thing and a warning is issued that: =========================================================...

Dear all

I have tried the calculation of phonon at Gamma point and ponon dispersion. Does anyone know that can ABINIT calculate the multi-phonon and anharmonic phonon interactions? Or can DFPT deal with anharmonic term of phonons?

Thank you all.
Best Wishes
Fan