quantum-espresso/PHonon/examples/example06
Paolo Giannozzi 2918778f6e Tentative fix for phonon dispersion calculations with LSDA.
Some more examples for phonons.
2020-03-19 21:20:08 +00:00
..
reference Tentative fix for phonon dispersion calculations with LSDA. 2020-03-19 21:20:08 +00:00
README Tentative fix for phonon dispersion calculations with LSDA. 2020-03-19 21:20:08 +00:00
run_example Tentative fix for phonon dispersion calculations with LSDA. 2020-03-19 21:20:08 +00:00

README

This example shows how to use pw.x to calculate phonons with a fully 
relativistic US-PP which includes spin-orbit effects.

The calculation proceeds as follows:

1) make a self-consistent calculation for fcc-Pt
   (input=pt.scf_ph.in, output=pt.scf_ph.out).

2) make a phonon calculation at the Gamma point (input=pt.ph.in,
   output=pt.ph.out).

3) make a phonon calculation at X (input=pt.phX.in, output=pt.phX.out).

4) make a phonon dispersion calculation (input=pt.ph.in, output=pt.ph.out).