Phonon band structure
Posted: Fri Oct 14, 2022 9:37 am
I was trying to plot the phonon dispersion (DFPT methpod) for a single 1D chain of Carbon atoms (2 atoms per unit cell) and I found something different.
Different values of k vector are giving the same frequency value (See attached file named 'gnu'). So the dispersion curve looks like a straight line parallel to k axis (See attached file named 'phonon_dispersion'). Is there anything wrong with my INPUT files? Please find attached the files. (run.sh is the script used to run the calculation)
Different values of k vector are giving the same frequency value (See attached file named 'gnu'). So the dispersion curve looks like a straight line parallel to k axis (See attached file named 'phonon_dispersion'). Is there anything wrong with my INPUT files? Please find attached the files. (run.sh is the script used to run the calculation)