[CPMD-list] Wannier Reference

[Christian Krekeler]

Hi,
I've some probleme with the Wannier reference. I calculated the wannier 
center for a system of water molecules around one chloride. I changed 
the wannier reference in the input file. For the case wannier reference 
(0,0,0) and for the other one I calculated the dipole moment of water. 
The shell size around chloride is different as well as the average from 
one to another. Now there is my question:
What do this command "Wannier reference" exactly? Is it only a shift of 
coordinates in the IONS+CENTERS file?
Thanks in advance..

Christian

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Christian Krekeler
Max Planck Institute for Polymer Research
Ackermannweg 10
D-55128 Mainz, Germany

Phone: +49 6131 379 148
Fax:     +49 6131 379 340
E-mail: krekeler at mpip-mainz.mpg.de
web: www.mpip-mainz.mpg.de/theory.html
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