BSSE

tfran... at gmail.com tfran... at gmail.com
Wed Jun 21 20:44:53 UTC 2017


Dear all,
may I kindly ask you if someone can:

 i) post the input file for a BSSE, for a general dimer case?

 ii) explain a little the different sections provided along with the BSSE 
flag?

 I have already read the relative section in the manual, but I would like 
to have a direct example to understand properly how to compute it.

Thanks a lot,
It is very important!

Best Regards,
Tommy
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20170621/5110cd48/attachment.htm>


More information about the CP2K-user mailing list