From 2c1a8c525d574fbb2fd582b732454c3dd2cbecdc Mon Sep 17 00:00:00 2001 From: paulatto Date: Thu, 19 Apr 2012 13:20:23 +0000 Subject: [PATCH] documentation git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8911 c92efa57-630b-4861-b058-cf58834340f0 --- PHonon/PH/q2qstar.f90 | 11 ++++++++++- 1 file changed, 10 insertions(+), 1 deletion(-) diff --git a/PHonon/PH/q2qstar.f90 b/PHonon/PH/q2qstar.f90 index 77290c467..e2ea621cc 100644 --- a/PHonon/PH/q2qstar.f90 +++ b/PHonon/PH/q2qstar.f90 @@ -6,7 +6,16 @@ ! or http://www.gnu.org/copyleft/gpl.txt . ! ! - +! A small utility that read the first q from a dynamical matrix file (either xml or plain text), +! recomputes the system symmetry (starting from the lattice) and generates the star of q. +! +! Useful for debugging and for producing the star of the wannier-phonon code output. +! +! Syntax: +! q2qstar.x filein [fileout] +! +! fileout default: filein.rot (old format) or filein.rot.xml (new format) +! !---------------------------------------------------------------------------- PROGRAM Q2QSTAR !----------------------------------------------------------------------------