quantum-espresso/PHonon/examples

These examples cover most programs and features of the PHonon package.
See comments in file "environment_variables" in the top QE directory
for instructions on how to run these examples.
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                   LIST AND CONTENT OF THE EXAMPLES

example01:
    This example shows how to use pw.x and ph.x to calculate phonon
    frequencies at Gamma and X for Si and C in the diamond structure and 
    for fcc-Ni.

example02:
    This example shows how to calculate interatomic force constants in
    real space for AlAs in zincblende structure.

example03:
    This example shows how to calculate electron-phonon interaction
    coefficients at X for fcc Al.

example04:
    This example shows how to use pw.x and ph.x to calculate the
    normal modes of a molecule (CH4) at Gamma

example05:
    This example shows how to use pw.x and ph.x to calculate the Raman
    tensor for AlAs.

example06
    This example shows how to use ph.x to calculate the phonon frequencies
    at Gamma and X and the dispersion for fcc-Pt with spin-orbit interactions.

example07:
    This example tests pw.x and ph.x in several cases that require the 
    noncollinear or the spin-orbit part of the code together with the gga.
    ph.x is used to calculate the phonons at X and Gamma of fcc-Pt with gga,
    and to calculate the phonons at X and Gamma of fcc-Ni to test the magnetic 
    case with gga with or without spin-orbit (experimental stage). 

example08:
   This example tests ph.x together with PAW. 

example09:
    This example illustrates how to use pw.x and ph.x to calculate 
    dynamic polarizability of methane molecules (experimental stage)

example10:
    This example tests pw.x and ph.x for the effective charges and
    dielectric constants with the noncollinear or the spin-orbit part of the
    code (experimental stage).

example11: 
    This example tests pw.x and ph.x for the noncollinear/spin-orbit case 
    and PAW (still experimental).

example12:
    This example shows how to use pw.x and phcg.x to calculate the normal
    modes of a molecule (SiH4) at Gamma.

example13:
    Full dispersions for spin-polarized phonons (Ni)

example14:
    This example shows how to use ph.x to calculate the phonon frequencies
    on an arbitrary set of q points. The points can be generated automatically
    along paths or on a bi-dimensional plane.

example15:
    This example shows how to create Infrared and Raman spectra using pw.x, 
    ph.x and dynmat.x

example16:
    Graphite with DFT-D2 and with nonlocal vdW-aware functionals

example17:
    This example shows how to compute the phonon dispersions of two-dimensional
    materials

example18:
    This example shows how to use pw.x and ph.x to calculate phonon frequencies
    of LiCoO2 with Hubbard U on Co 3d states (experimental stage).

example19:
    This example shows how to use ph.x, dvscf_q2r.x and postahc.x to calculate
    electron-phonon renormalization of the band gap of diamond within the
    Allen-Heine-Cardona (AHC) theory.

Additional feature-specific examples:

Partial_example
    This example tests the computation of a part of the dynamical matrix.

GRID_example
    This example shows how to use ph.x on a GRID.

Image_example
    This example tests image parallelism of the ph.x.

Recover_example:
    This example tests the recover feature of ph.x.

GRID_recover_example
    This example tests the recover feature with the GRID or the images.