[CP2K-user] [CP2K:18266] CPASSERT failed due to "SCRF"
Rajendra Maharjan
ryandramaharjan at gmail.com
Wed Dec 28 22:09:00 UTC 2022
Greetings,
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
cluster?
Thanks!
Rajendra Maharjan
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