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Alex Granovsky
gran@classic.chem.msu.su

I do not agree with you on manual.

The reason why this was not properly documented (and why the use
of H-ECPs was not made the fully automatic procedure without the
need of any $ecpinp input) is that this code was considered as a
beta-quality code. However, it works fine and thus, it will be
transparently integrated into generic ECP code in the next minor
update to Firefly.

Cheers,
Alex

On Wed Jan 6 '10 3:37pm, sanya wrote
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>I think the comment about the line $ecpinp len1=200000 len2=20000 $end for ECPs with H components should be added to the updated version of the Firefly manual. By the way, some working examples of EFP runs should be added, too, because there are many questions about this.

>On Wed Jan 6 '10 3:01pm, Pedro Silva wrote
>------------------------------------------
>>Dear Dmitriy,

>>This question is answered in a previous comment:

>>http://classic.chem.msu.su/cgi-bin/ceilidh.exe/gran/gamess/forum/?C38e9608756ZW-6752-1435+00.htm
>>