Hi. I am told that there is a key you can put in the end of the inputfile
and then the adf2004-program writes the optimized geometry to a xyz file.
How and where...
Regards
Espen
Received on 2004-11-11 23:01:42
This archive was generated by hypermail 2.2.0 : 2006-11-02 07:00:02 CET