[Pw_forum] slab with fixed bulk atoms??

[Vasile Chis]

Dear users.

I have a question about relaxation of a metal-slab!
Is it possible to set up a slab of a number of atomic layers and keep 
the bulk-like atoms fixed?

e.g. from example 3 Al(001) slab:
 &end
   0.5000000      0.5000000     -2.121320  1
   0.0000000      0.0000000     -1.414213  1
   0.5000000      0.5000000     -0.707107  1
   0.0000000      0.0000000       0.000000  1
   0.5000000      0.5000000       0.707107  1
   0.0000000      0.0000000       1.414213  1
   0.5000000      0.5000000       2.121320  1
'Al' 1 1 1.0

Is it possible to keep layer 3, 4 and 5 fixed?

Thanx in  advance!!

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Vasile Chis
Interface Modelling Group
Solid State Physics
Department of Experimental Physics
Göteborgs Universitet/Chalmers
Fysikgården 6B
s-412 96 Göteborg, SWEDEN
tel.	: +46 (0) 31 7723338
mobile	: +46 (0) 70 8348867
fax.	: +46 (0) 31 7723367
email	: cvasse at fy.chalmers.se

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