Adding Dispersion

Mukul Singh mklsi... at gmail.com
Sat Jul 18 08:24:42 CEST 2015


I am new to CP2K and willing to use B3LYP-D2 functional. Can anyone tell me 
how to add dispersion co-efficient (such as B3LYP-D2) to any 
functional???????




Thanks in Advance
Mukesh
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20150717/f0d4ac41/attachment.html>


More information about the CP2K-user mailing list