ABINIT Discussion Forums

Hi, I don't fully understand your question, but I will give a stab at it. Firstly, molecules are finite systems and as such they possess discrete vibrational states, i.e. there is no phonon dispersion. Hence, you only want the discrete spectrum at the Gamma point. As you said, to study molecules, yo...

Hi,

Did you try removing the variable symdynmat from the input file for ANADDB?
The default (symdynmat 1) is better has it restores the symmetry of the system, even with Fourier interpolation.
I am not sure this will correct the behavior, I would need to see the outputs.