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Re^9: How to assign different Basis sets to different atoms?

Alex Granovsky
gran@classic.chem.msu.su


Dear Siddheshwar,

I'm assuming D:\FIREFLY\INPUTS\UV\test.inp exists, D:\FIREFLY exists and contains Firefly's binaries and that D:\FIREFLY\INPUTS\UV\output\ folder exists prior to Firefly's execution.

Note "< pre >" and "< /pre >" are just html tags used to
designate a preformatted section of text. If you look on my original
post in browser, there is no any explicit "< pre >" tags.
It seems you have copied a portion of html code "as is" while it was
not intended for that.  

So naturally only the second run works for you. The file "input"
can be found in the Firefly's working directory i.e. in D:\FIREFLY\

Kind regards,
Alex Granovsky

[ This message was edited on Sat Mar 29 '14 at 11:18pm by the author ]


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