[Wien] (111) surface

[Michael Gurnett]

This is for Ge(111) bulk structure. Hope it helps

Michael
----- Original Message ----- 
From: "Lukasz Plucinski" <pluto at buphy.bu.edu>
To: <wien at zeus.theochem.tuwien.ac.at>
Sent: Tuesday, March 23, 2004 6:02 PM
Subject: [Wien] (111) surface


> Hello,
> 
> I have simple question:
> 
> How to model 111 surface of fcc material ? (e.g. Cu(111) or GaAs(111))
> 
> I would like to relax Cu(111) and get the surface electronic structure.
> 
> I would also like to make some calculations on Si(111) covered with some
> monolayers.
> 
> Which settings to use at w2web interface. Maybe somebody has example
> structure file.
> 
> Regards,
> 
> Lukasz
> 
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> 
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