Mrinmoy Mandal mrinmoymandal143 at gmail.com
Fri Jul 22 05:15:28 UTC 2022

Hello All

I am very new to CP2K. 
When I changed my QM/MM input file at the position of  XC_FUNCTIONAL to 
B3LYP from PBE, the CP2K output stuck on "SCF WAVEFUNCTION OPTIMIZATION" , 
without any further error.

Could you guys please help me to solve the problem. This is very urgent.


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