I have used Siesta in the example attached with phonopy to run phonon for graphene, and when I typed the command to create force sets:

phonopy --siesta -f disp-001/Gr.FA

But I have got this error:

Number of files to be read (1) don't match to

the number of displacements (2) in phonopy_disp.yaml.

FORCE_SETS could not be created.

Thanks in advance to all

  • $\begingroup$ Do you also have a disp-002 file? $\endgroup$ Dec 22, 2022 at 14:51
  • $\begingroup$ No I don't have it. I have only disp-001. $\endgroup$ Dec 23, 2022 at 13:57
  • $\begingroup$ Could you attach (or link to) your files so we can take a look? $\endgroup$ Dec 24, 2022 at 0:22