<div dir="ltr"><div class="gmail_default" style="font-size:small">Dear <span style="font-size:12.8px;font-weight:bold;white-space:nowrap">Sergey Chulkov</span></div><div class="gmail_default" style="font-size:small"><span style="font-size:12.8px;font-weight:bold;white-space:nowrap">What should be the value of D3BJ_SCALING in the input file. I mean i do not have any idea regarding this since i am using hybrid functional for the first time. Please help me to solve this issue.</span></div><div class="gmail_default" style="font-size:small"><span style="font-size:12.8px;font-weight:bold;white-space:nowrap"><br></span></div><div class="gmail_default" style="font-size:small"><span style="font-size:12.8px;font-weight:bold;white-space:nowrap">Regards </span></div><div class="gmail_default" style="font-size:small"><span style="font-size:12.8px;font-weight:bold;white-space:nowrap">Rizwan</span></div></div><div class="gmail_extra"><br><div class="gmail_quote">On Mon, Apr 11, 2016 at 9:37 PM, Sergey Chulkov <span dir="ltr"><<a href="mailto:sergeya...@gmail.com" target="_blank">sergeya...@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr">Dear Rizwan,<br><br>this is because you have requested the Grimme's dispersion correction with Becke-Johnson damping and provided no dumping parameters for your exchange-correlation functional. Please specify these parameters using either D3BJ_SCALING or REFERENCE_FUNCTIONAL keyword in the <a href="https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT/XC/VDW_POTENTIAL/PAIR_POTENTIAL.html" target="_blank">PAIR_POTENTIAL</a> section of your input file.<span class="HOEnZb"><font color="#888888"><br><br>Sergey</font></span><div><div class="h5"><br><br>On Monday, April 11, 2016 at 11:42:48 AM UTC+1, Rizwan Nabi wrote:<blockquote class="gmail_quote" style="margin:0;margin-left:0.8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr">Dear cp2k users i am getting ths error while running a job with hybrid functional. Can someone please help me to solve this issue?<div><br></div><div><br><div><div style="font-family:arial,sans-serif;font-size:12.8px"> <span style="font-size:12.8px"> ** Copyright (C) by CP2K Developers Group (2000 - 2015) **</span><br></div><div style="font-family:arial,sans-serif;font-size:12.8px"> ** **</div><div style="font-family:arial,sans-serif;font-size:12.8px"> *******************************************************************************</div><div style="font-family:arial,sans-serif;font-size:12.8px"><br></div><div style="font-family:arial,sans-serif;font-size:12.8px"> *******************************************************************************</div><div style="font-family:arial,sans-serif;font-size:12.8px"> * ___ *</div><div style="font-family:arial,sans-serif;font-size:12.8px"> * / \ *</div><div style="font-family:arial,sans-serif;font-size:12.8px"> * [ABORT] *</div><div style="font-family:arial,sans-serif;font-size:12.8px"> * \___/ CPASSERT failed *</div><div style="font-family:arial,sans-serif;font-size:12.8px"> * | *</div><div style="font-family:arial,sans-serif;font-size:12.8px"> * O/| *</div><div style="font-family:arial,sans-serif;font-size:12.8px"> * /| | *</div><div style="font-family:arial,sans-serif;font-size:12.8px"> * / \ qs_dispersion_utils.F:121 *</div><div style="font-family:arial,sans-serif;font-size:12.8px"> *******************************************************************************</div><div style="font-family:arial,sans-serif;font-size:12.8px"><br></div><div style="font-family:arial,sans-serif;font-size:12.8px"><br></div><div style="font-family:arial,sans-serif;font-size:12.8px"> ===== Routine Calling Stack =====</div><div style="font-family:arial,sans-serif;font-size:12.8px"><br></div><div style="font-family:arial,sans-serif;font-size:12.8px"> 2 qs_init_subsys</div><div style="font-family:arial,sans-serif;font-size:12.8px"> 1 CP2K</div><div style="font-family:arial,sans-serif;font-size:12.8px">application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0</div></div></div><div style="font-family:arial,sans-serif;font-size:12.8px"><br></div><div style="font-family:arial,sans-serif;font-size:12.8px"><br></div><div style="font-family:arial,sans-serif;font-size:12.8px">Regards </div><div style="font-family:arial,sans-serif;font-size:12.8px"><br></div><div style="font-family:arial,sans-serif;font-size:12.8px">Rizwan</div></div></blockquote></div></div></div><div class="HOEnZb"><div class="h5">
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