[CP2K-user] [CP2K:18246] RI (Resolution of Identity) dies with no error, PBE0 calc

DMT dobromirak at gmail.com
Thu Dec 22 12:50:08 UTC 2022


Hello,

I added

&RI T
&END RI

(all defaults)

section in the &HF section and cp2k dies with no error message at output:

 Extrapolation method: initial_guess


 SCF WAVEFUNCTION OPTIMIZATION

  Step     Update method      Time    Convergence         Total energy   
 Change
  
------------------------------------------------------------------------------

. On the terminal only the work "Killed" appears and all dies. No error 
messages in terminal, no error messages in output.

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