[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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