[Pw_forum] Atomic positions and Wyckoff co-ordinates

ramesh kumar raamesh123 at rediffmail.com
Fri Aug 13 13:02:47 CEST 2010

Dear Sonu kumar

Just to add some additional links apart from prof Eyvaz and Michael J. Mehl suggestions.

If you want to know the atom positions of particular element or alloys its necessary to know atleast one among the following three

1. Space group symbol
2. Structure symbol
3. Pearson symbol

which you will observe in the link given by Prof Eyvaz....(nrl-navy)

If you know space group symbol

please try this link ...very handy and easy to work with....


hope this helps

With regards

K. Ramesh Kumar
Research Scholar
Department of Physics
Chennai-600 036
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20100813/474a3e4c/attachment.html>

More information about the users mailing list