[Wien] (111) surface

Lukasz Plucinski pluto at buphy.bu.edu
Tue Mar 23 18:02:57 CET 2004


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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