[CPMD-list] solid state optimization

[Martijn Zwijnenburg]

Hi,

If I use CPMD to optimize the geometry of a solid does it then only 
optimize the positions of the atoms in the cell or also the cell 
volume? If yes, should I then input the cell parameter in the 
&system part.

Regards,

Martijn Zwijnenburg
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Martijn Zwijnenburg
Lab. of Applied Organic Chemistry and Catalysis
Delft University of Technology
Julianalaan 136
2628 BL Delft
The Netherlands
Tel: 0031-(0)152782691
Fax: 0031-(0)152784700
e-mail: M.A.Zwijnenburg at tnw.tudelft.nl
web page: http://come.to/tock