[CPMD-list] I need a sample GENERATE REPLICAS file

[Axel Kohlmeyer]

On Thu, 6 Dec 2007, Guille Ludu wrote:

GL> I'm having problems to understand the format of the
GL> "GENERATE REPLICAS" option for CPMD. Can sameone give

gui,

there is no special format. you put the keyword in the &PIMD
section of your input file (together with INITIALIZATION) 
and that is it. just with any regular cpmd keyword. please
explain where you are having problems, what you want to do,
what you tried and so on.

cheers,
   axel.

GL> me a hand? (i.e.: an example file)
GL> thanks in advance
GL> 
GL> gui
GL> 
GL> 
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-- 
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Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
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If you make something idiot-proof, the universe creates a better idiot.