[CP2K-user] [CP2K:19808] revPBE0 stuck on the force calculation

yl z yzolzhang at gmail.com
Thu Jan 25 06:12:04 UTC 2024


Hi all,

I run the calculation of 150 waters on Au(111) surface (6*6*4) with a CO 
molecule adsorbed. Everything was fine for the electronic scf calculation. 
However, it will stuck on the force calculation. The job is still alive but 
noting output. I have attached my input file and output file. Any help 
would be appreciated.

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