[molpro-user] Missing basis sets in Molpro lib directory

Reuti reuti at staff.uni-marburg.de
Wed Sep 1 22:02:21 BST 2010


Am 01.09.2010 um 22:45 schrieb Hans-Joachim Werner:

> Many more default basis sets (including all def2 ones) will be in the upcoming version 2010.1.
> This will be made available (free of charge) in about 2 weeks.

Thanks for the info.

-- Reuti


> Joachim Werner
> 
> Am 01.09.2010 um 18:07 schrieb Reuti:
> 
>> Hi all,
>> 
>> at the Molpro website, there are by far more basis sets listed than installed by default in the library of Molpro. Can these additional basis sets made be available in one bunch, or must they all be assembled by hand for all necessary elements. E.g. def2-TZVPP
>> 
>> -- Reuti
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> 




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