eigen_vector

esta.phononBag.phonopy.eigen_vector

read_eigenvector(filename, lgamma=None)

read eigen vectors along with freq and natoms for processing from the band.yaml file.

To get eigen vectors in the band.yaml file, use option: EIGENVECTORS = .TRUE. in band.conf file or in the command line

Parameters:

• filename (str) –

  name of the filename, band.yaml

Returns:

• freq ( array of rank 2 ) –

  array of freqs of vibration modes of shape (nqpt,nband); nqpt is basically the qpt distance

• eigenvectors ( array of rank 4 ) –

  phonon eigen states at a given q point; here q point is the gamma point; in general it can be any other qpt of the BZ

save_ev(filename, natoms=None)

save freq and eigen vectors in *dat file with real part only; works for gamma point for the time being.

read_eigenvector_dat(filename, natoms)

read eign_vector_gamma.dat file in a speedy manner

read_freq_eigenvector_dat(filename, natoms)

read freq_eign_vector_gamma.dat file in a speedy manner