probleme with doping

celio angel adil.e... at gmail.com
Tue Jun 30 12:32:47 UTC 2015


Dears all users CP2K, i have a question it is possible to do doping with 
cp2k  because I study a binary compound of CuO but when I add another  atom 
Li (which replaces a Cu atom) the calculation stops and  displays an error 
message:
Programm aborted.Backtrace:


-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20150630/2394ce2d/attachment.htm>


More information about the CP2K-user mailing list