W:Algorithms to cut a surface from a crystal
- From: "Jrg-Rdiger, , Hill"
<joerg-ruediger.hill..at..t-online.de>
- Subject: W:Algorithms to cut a surface from a crystal
- Date: Wed, 13 Apr 2005 02:27:42 -0400
Hi,
I am trying to write some code which takes the unit cell of a crystal (both the
cell vectors and the coordinates of the atoms) and creates a "cell"
for a surface of the crystal (for a given set of Miller indices). I am having a
little bit of a problem getting the coordinates of the atoms in the
"surface cell" right.
I thought that this should be a standard problem, but I can't find anything
about a suitable algorithm for doing this neither on the Web nor in standard
crystallography text books. If anybody has any pointers either to code or text
books on this subject I would appreciate it.
Best Regards,
Jrg-Rdiger Hill