[CP2K-user] Gibbs free energy using MP2 calculation
Dhanya Ramadas
dhanuram... at gmail.com
Thu May 14 11:03:18 UTC 2020
Dear CP2K experts,
I am trying to run MP2 calculations on different phases of a crystal. The
aim is to calculate the Gibbs free energy at various temperatures and
pressures for the crystal. Is there a possibility for gibbs free energy
calculation in CP2K?
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20200514/cc6ff119/attachment.htm>
More information about the CP2K-user
mailing list