[CP2K-user] PBE0-D3 MD problem with HF module

Brandon Meza Gonzalez bran... at gmail.com
Sun Mar 31 21:27:34 UTC 2019


Hi, cp2k users:

I was suffering problems in HF module in the input that I show you using 
the Poisson resolutor (xyz). 

I was able to run the MD simulations without the HF module and the job 
continues running, but whit I implemented HF in order to describe the 
system through PBE0 the calculation crashes. 

Is there a solution o recommendation for this problem?

Best regards,

Brandon
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