[Pw_forum] about example 03 (Al relaxation)
Aritz Leonardo
swblelia at sw.ehu.es
Thu Feb 3 15:35:26 CET 2005
Hello:
I have a short question. I am trying to relax Magnesium surfaces in the
same way as example03 for aluminium.
When I run the example what I don't understand is that only Z-direction
is relaxed. How come that atoms do not relax moving in X and Y
direction? As far as I understand from the input, there are not fixed
directions of atom positions so in principle they should all move in 3
directions.
regards
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