[CPMD-list] GEOMETRY OPTIMIZE

[morteza zare]

Dear CPMD Community,

I want to run the CPMD for ionic liquids to calculate transport properties.
Is the wavefunction optimization enough or I should run a
geometry optimization before MD.

  Thanks in advance

Morteza
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://cpmd.org/pipermail/cpmd-list/attachments/20080420/1aa115b2/attachment.html