TURBOMOLE Modules > Riper

Lattice parameters optimization in riper ?

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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

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