[CP2K-user] [CP2K:17111] Error after switching off the wfn output

yueda wang ydwangmd at gmail.com
Thu Jun 9 16:42:24 UTC 2022


Dear members,

I would like to switch off the wavefuction output during the simulaion,
but the task stopped and the error message is "non-compatible end of 
section PRINT , File: 'cp2k.inp', Line: 42". When I remove the section and 
keyword in SCF section below:

        &PRINT
            &RESTART OFF
            &END RESTART
         &END PRINT
the simulation works normally.How to fix it?

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