Dear siesta users I am trying to calculate the dynamical matrix by using siesta/Util/Vibra package. First of all I have used fcbuild in order to get file FC.fdf which is a partial input for Siesta. After siesta run (the input file is already attached)I get the force constant matrix systemlabel.FC file , then In order to get the dynamical matrix, I use vibrator and get two file namely systemlabel.vectors and systemlabel .bands. Now my question is
Ø Which one is the dynamical matrix file? Ø And how one can obtain the dynamical matrix from systemlabel.FC file. Here I have attached the input file (both for fcbuild and siesta) systemlabel .fdf and output file systemlabel.FC, I will appreciate if someone help me. Sincerely, barnali
si54.fdf
Description: application/vnd.fdf
si54-siesta.fdf
Description: application/vnd.fdf
FC.fdf
Description: application/vnd.fdf
si54.FC
Description: Binary data
