ABINIT Discussion Forums

Dear all,

After a phonon calculation at Gamma point how could I obtain the phonon eigendisplacements? It seems the output file only contains eigenfrequencies. I tried to use anaddb (activate eivec=1 and nothing else in the anaddb input file) but it only gives me effective charge tensors... Is there any other options I need to turn on in the anaddb input file or is it possible to get eigendisplacements right from the abinit run?

Thank you in advance.

jianglai wrote:Dear all,

After a phonon calculation at Gamma point how could I obtain the phonon eigendisplacements? It seems the output file only contains eigenfrequencies. I tried to use anaddb (activate eivec=1 and nothing else in the anaddb input file) but it only gives me effective charge tensors... Is there any other options I need to turn on in the anaddb input file or is it possible to get eigendisplacements right from the abinit run?

Thank you in advance.

You need to add the qpt you want the displacements for to the q1phl list. These will generate frequencies and eigendisplacements (not eigenvectors) in the output and log files. See anaddb input variables for the syntax

Matthieu