doping problem in a system

celio angel adil.e... at gmail.com
Mon Aug 13 14:49:09 CEST 2018


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
>
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