<div>Greetings,</div>For simple single point energy calculation of the non-periodic 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;<br> <br><div> *******************************************************************************<br> * ___ *<br> * / \ *<br> * [ABORT] *<br> * \___/ CPASSERT failed *<br> * | *<br> * O/| *<br> * /| | *<br> * / \ cp_ddapc_methods.F:882 *<br> *******************************************************************************<br></div><div><br></div><div>Is there any problem due to addition of reaction field outside the water cluster?</div><div><br></div><div>Thanks!</div><div><br></div><div>Rajendra Maharjan</div>
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