doping problem in a system
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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