« previous next »
Pages: [1]

Author Topic: Egrad with TPSSH-functional  (Read 3556 times)

fkreu

  • Newbie
  • *
  • Posts: 1
  • Karma: +0/-0
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
Logged

Arnim

  • Developers
  • Sr. Member
  • *
  • Posts: 253
  • Karma: +0/-0
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
Logged
Pages: [1]
« previous next »