[CP2K-user] [CP2K:18266] CPASSERT failed due to "SCRF"

Rajendra Maharjan ryandramaharjan at gmail.com
Wed Dec 28 22:09:00 UTC 2022

For single point energy calculation of the non-periodic water clusters, the 
cp2k program runs correctly. But when I added 'scrf' section with radius 
equal to the size of the water cluster in the cp2k input file, it throws 
error as;
 *   ___                                                                   
 *  /   \                                                                   
 * [ABORT]                                                                 
 *  \___/                             CPASSERT failed                       
 *    |                                                                     
 *  O/|                                                                     
 * /| |                                                                     
 * / \                                                 
 cp_ddapc_methods.F:882 *

Is there any problem due to addition of reaction field outside the water 


Rajendra Maharjan

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