quantum-espresso

History

pietrodelugas 2db25e7414 update of reference data for PHonon examples git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13288 c92efa57-630b-4861-b058-cf58834340f0		2017-02-07 14:07:15 +00:00
..
reference	update of reference data for PHonon examples	2017-02-07 14:07:15 +00:00
README	PH re-structured. PH Now called PHonon, D3 and Gamma moved to dir PHonon	2011-09-21 13:43:24 +00:00
run_example	updated references for PH examples	2016-09-23 15:29:37 +00:00

README

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).