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Patching the bader code

From: steven.kirk@htu.se
To: forum@abinit.org
Subject: Patching the bader code
Date: Tue, 5 Apr 2005 21:11:22 +0200

Hello,

Currently using v. 4.4.3 sequential, P6/Linux.

I want to patch cpdrv.F90 in the bader code to show the positions of the
critical points in 'xred' form (i.e. fractional crystal coordinates) instead
of just 'xcart' format or as relative coordinates from the originating atom.

Presumably there is a routine somewhere in abinit to do a general conversion
to 'xred' format. Can anyone indicate to me where it is, and how to call it
in this situation ?

Many thanks in advance,
Steve Kirk

Patching the bader code, steven . kirk, 04/05/2005