Index of /espresso_v6.1/i386_linux26/qe-6.1/Examples/PHonon/example06
Name Last modified Size Description
Parent Directory 03-Mar-2017 02:09 -
reference/ 03-Mar-2017 01:46 -
run_example 03-Mar-2017 01:46 4k
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).