TURBOMOLE Users Forum
TURBOMOLE Modules => Riper => Topic started by: liwq324 on October 06, 2016, 08:46:11 AM
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Hello
Do anybody know if lattice parameters can be automatically optimized using riper ?
Thank you in advance !
Regards,
Lein
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Its on Mareks todo list. maybe for 2017 or 2018...
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It will most probably be available in the next release.
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Hello,
thank you.
As of now, in 2022, has it been implemented in some Turbomole version, please?
Best regards,
JakubV
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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