[Wien] Interface relaxation

[morteza rafiee]

Dear wien user's,
I would like to deposit layers of atoms on a
substrate.
Obviously relaxation is time consuming, thus I
appreciate if someone let us know which of the
following methods are more appropriate taking cpu time
into account.
1. Constructing the structure file only for the
substrate and then relax it. After calculating the
relaxed atomic positions of the substrate using mini,
depositing the atoms on the relaxed substrate, and
then as a second time try to relax the atomic
positions of the deposited layers. 

2.Generating both substrate and the deposited layers
on it from scratch and then relax all the atoms of
layers and substrate simultaneously.

It seems that (we have not any experiences in this
respect) one can save the cpu time using the first
method due to the fact that the number of atoms that
must be positioned in their relaxed locations is
smaller than the case that we let be relaxed all the
atomic positions of the layers and substrate
simultaneously as described in the second method.

Your,
M. Rafiee

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