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Re^4: Different basis sets with polarization functions for different atoms

Alex Granovsky
gran@classic.chem.msu.su

Hi,

>It should be called:

>BASIS.LIB

If you do not use -b command line option, it is indeed should be called BASIS.LIB and should be in the Firefly's working directory.

If you use -b < directory name > command line option, the file still should be called BASIS.LIB and will be searched in that directory

However, if you use -b < fully qualified filename > command line option, you can use any filename you like.

regards,
Alex

 

[ This message was edited on Mon Nov 9 '09 at 11:18am by the author ]

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