Index of /espresso_v6.1/i386_linux26/qe-6.1/Examples/PHonon/example11
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 tests pw.x and ph.x for the noncollinear/spin-orbit case and PAW.
The calculation proceeds as follows:
1) make a self-consistent calculation for Au
(input=Au.scf_pz.in, output=Au.scf_pz.out).
2) make a phonon calculation at the Gamma point (input=Au.phG_pz.in,
output=Au.phG_pz.out).
3) make a phonon calculation at the X point (input=Au.phX_pz.in,
output=Au.phX_pz.out).