[CPMD-list] package for metal surface modelling

sanjeev narooka snarooka at yahoo.com
Fri Sep 15 13:04:13 CEST 2006


Dear cpmd user,

is there any free graphical packages available to draw metal surface which also provide xyz coordinates of atoms to be incorporated in cpmd input file.
what will be the procedure of setting the coordinates of some other molecules so that the interaction of these molecules on the above said surface can be calculated.
I have searched previous mails but the package (surface explorer) described by Apsi does not give xyz coordinates.
I sought your valuable help.
with regard
sanjeev narooka

 		
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