Is it possible in CP2K to determine Individual Bond Dissociation Energy for any Bond in organic molecules?
Susmita/Rajib
bkpsu... at gmail.com
Sun Jun 4 07:20:37 UTC 2017
(*Any knowledgeable group-member is free to answer!*),
Dear Prof. Rybkin
I am still awaiting your reply for the part:
In the meanwhile, will it be possible for me to peruse some
snap-/screen-shots
of the software? Some snap-/screen-shot images of the GUI?
Perhaps you overlooked this question at the end of my email.
Sir, I *also* want to ask
* if cp2k is interacted with via terminal only, i.e., command-line driven,
and doesn't have a GUI? *
Regards,
Rajib
...
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20170604/08816f27/attachment.htm>
More information about the CP2K-user
mailing list