[Wien] Structure optimization

[Peter Blaha]

> - How can I lock some atoms in position during structure optimization?

In case.inM  put the 1.0 values of x,y and/or z of the corresponding 
atom (line) to 0.0.

It works well. We do it all the time....

> 
> Best,
> Lukasz
> 

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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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