ABINIT Discussion Forums

Dear Dr. jzwanzig, As you can see in the input file, I had changed in qph1l the coordinates for the high symmetry points and I kept those of the the points situated in each segment and corresponding to the cubic structure. I wonder I am correct? If not how can I calculate them? Thanks in advance, N....

Dear Users, After I modified the trf2_5.in from cubic to wurtzute structure, I obtained a strange plott of the frequencies, Did someone get this problem before? here is attached my input file: !Input file for the anaddb code. Analysis of the SiO2 DDB !Flags ifcflag 1 ! Interatomic force constant fla...

Many thanks for your reply.......the website is very helpful.

Dear Users,

This is the first time I deal with plotting phonons frequencies in wurtzite structure and I need the coordinates of the high symmetry points for the hexagonal
path ,
I'd appreciate your help,
N.Bruno