[CP2K-user] MD with CAM-B3LYP functional

ALEKOS SEGALINA alekos.... at student.unife.it
Thu Oct 10 14:43:05 UTC 2019

Previous message (by thread): [CP2K-user] Help needed: How to create an anti-proton in quickstep cp2k?
Next message (by thread): [CP2K-user] massive slowdown in SCF timings during MD
Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]

Dear CP2K users,

Do you know if it is possible to perform MD runs considering the CAM-B3LYP 
functional? So my question is can I perform MD with the functionals of the 
libxc library? 

Thank you in advance

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20191010/23a7e02c/attachment.htm>

Previous message (by thread): [CP2K-user] Help needed: How to create an anti-proton in quickstep cp2k?
Next message (by thread): [CP2K-user] massive slowdown in SCF timings during MD
Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]

More information about the CP2K-user mailing list