[CP2K-user] [CP2K:16227] SCF convergence

shamimul Ahsan shamimul1234 at gmail.com
Sun Nov 14 19:36:32 UTC 2021


Dear cp2k users,
I am new in cp2k. I am trying to run Ab initio NPT simulation in cp2k 
(version cp2k-6.1.0). But my SCF is not converging. It is showing a warning 
in output file. I have attached my input file. Kindly have a look at it and 
tell me where is my mistake. 

With Regards
Shamimul Ahsan


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