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Author Topic: Egrad with TPSSH-functional  (Read 5901 times)

fkreu

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Egrad with TPSSH-functional
« on: July 09, 2020, 01:41:07 PM »
Hi,

I found in Turbomole 7.4 dircetory the file DFT-functionals.xml. There exgrad<1> is for TPSSH, which means that TPSSH is available for modul egrad. But the outfile say that  meta gga is not yet implemented in egrad.

Regards

Florian
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Arnim

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Re: Egrad with TPSSH-functional
« Reply #1 on: July 14, 2020, 05:44:52 PM »
Hi,
that is available in version 7.5 and newer.

Cheers,
Arnim
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