doping problem in a system

[celio angel]

Thank you so much Matthias for the reply. i have add UKS in DFT but i have 
the file can't compiled succssufully

Le lundi 13 août 2018 10:08:16 UTC, celio angel a écrit :
>
> Hello all the users of cp2k, I have a problem when I substitute a Copper 
> atom in the ZnO system, the input file can not be compiled but when I 
> substitute by another sulfide atom the calculation works correctly in the 
> same file. can you help me to find the solution. i have attached the 
> input file.
>  best reggard
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20180813/aaec3a16/attachment.htm>