[molpro-user] DFT functionals

[Andy May]

That's correct, the list of functionals is listed in the manual of each
Molpro version. The list of functionals in 2010.1 can be found here:

http://www.molpro.net/info/2010.1/doc/manual/node190.html

and for 2012.1 here:

http://www.molpro.net/info/2012.1/doc/manual/node192.html

and for 2015.1 here:

http://www.molpro.net/info/2015.1/doc/manual/node199.html

Best wishes,

Andy

On 26 April 2016 at 12:19, Ersin Yurtsever <EYURTSEV at ku.edu.tr> wrote:

> I am trying to use M062X functional on Molpro 2010.1.  I used M06-2X which
> gives an error message.
>
>
>
> Is it possible that this functional was not defined in that version?
>
>
>
> Prof.Dr.Ersin Yurtsever
>
> Koç Üniversitesi, Kimya Bölümü
>
> 212-3381874
>
>
>
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> Molpro-user at molpro.net
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>
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