Lattice parameters optimization in riper ?

[liwq324]

Hello

Do anybody know if lattice parameters can be automatically optimized using riper ?

Thank you in advance ！

Regards，
Lein

[christof.haettig]

Its on Mareks todo list. maybe for 2017 or 2018...

[turbomaster]

It will most probably be available in the next release.

[JakubV]

Hello,

thank you.
As of now, in 2022, has it been implemented in some Turbomole version, please?

Best regards,
JakubV

[uwe]

It was released in 2017, see https://forum.turbomole.org/index.php/topic,1092.0.html ('periodic boundary conditions: optimization of unit cells').

Hence it is available since Turbomole version 7.2. At the moment (December 2022) the latest version is 7.7