<div dir="ltr"><div>Dear Tiziano,</div><div> </div><div>Thanks a lot for that prompt reply and pointing out the correct way to do this.</div><div> </div><div>Best Regards,</div><div>Raghav </div> On Wednesday, 3 April 2019 13:47:44 UTC+5:30, Tiziano Müller wrote:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;">Hi Raghav, On 03.04.19 10:11, Raghav wrote: > Dear all, > > I want to use Basis Set data from two different files *BASIS_MOLOPT* and > *GTH_BASIS_SETS*. Will copying the content from BASIS_MOLOPT to > GTH_BASIS_SETS and specifying *BASIS_SET_FILE_NAME* as *GTH_BASIS_SETS > *work? Or this is not the right way to do it? Yes it will work. No, I would not recommend this. You can specify BASIS_SET_FILE_NAME ... multiple times with different file names, see <a href="https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT.html#BASIS_SET_FILE_NAME" target="_blank" rel="nofollow" onmousedown="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fmanual.cp2k.org%2Ftrunk%2FCP2K_INPUT%2FFORCE_EVAL%2FDFT.html%23BASIS_SET_FILE_NAME\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNGDyi8ROPy3AC1cgWBuTHuP8WWSbw';return true;" onclick="this.href='https://www.google.com/url?q\x3dhttps%3A%2F%2Fmanual.cp2k.org%2Ftrunk%2FCP2K_INPUT%2FFORCE_EVAL%2FDFT.html%23BASIS_SET_FILE_NAME\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNGDyi8ROPy3AC1cgWBuTHuP8WWSbw';return true;">https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/DFT.html#BASIS_SET_FILE_NAME</a> Therefore BASIS_SET_FILE_NAME BASIS_MOLOPT BASIS_SET_FILE_NAME GTH_BASIS_SETS should work. Best regards, Tiziano > > Could anyone please clarify this? > > Thanks and Regards, > Raghav > > > ** > > -- > You received this message because you are subscribed to the Google > Groups "cp2k" group. > To unsubscribe from this group and stop receiving emails from it, send > an email to <a href="javascript:" target="_blank" gdf-obfuscated-mailto="IrXrhhbJAgAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">cp...@googlegroups.com</a> > <mailto:<a href="javascript:" target="_blank" gdf-obfuscated-mailto="IrXrhhbJAgAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">cp...@googlegroups.com</a>>. > To post to this group, send email to <a href="javascript:" target="_blank" gdf-obfuscated-mailto="IrXrhhbJAgAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">c...@googlegroups.com</a> > <mailto:<a href="javascript:" target="_blank" gdf-obfuscated-mailto="IrXrhhbJAgAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">c...@googlegroups.com</a>>. > Visit this group at <a href="https://groups.google.com/group/cp2k" target="_blank" rel="nofollow" onmousedown="this.href='https://groups.google.com/group/cp2k';return true;" onclick="this.href='https://groups.google.com/group/cp2k';return true;">https://groups.google.com/group/cp2k</a>. > For more options, visit <a href="https://groups.google.com/d/optout" target="_blank" rel="nofollow" onmousedown="this.href='https://groups.google.com/d/optout';return true;" onclick="this.href='https://groups.google.com/d/optout';return true;">https://groups.google.com/d/optout</a>. -- Tiziano Müller University of Zurich Department of Chemistry Winterthurerstrasse 190 CH-8057 Zürich Tel: +41 44 63 54234 <a href="http://www.chem.uzh.ch" target="_blank" rel="nofollow" onmousedown="this.href='http://www.google.com/url?q\x3dhttp%3A%2F%2Fwww.chem.uzh.ch\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNEaSd80M-dQwlA8q5GEKkKY5wRCiQ';return true;" onclick="this.href='http://www.google.com/url?q\x3dhttp%3A%2F%2Fwww.chem.uzh.ch\x26sa\x3dD\x26sntz\x3d1\x26usg\x3dAFQjCNEaSd80M-dQwlA8q5GEKkKY5wRCiQ';return true;">www.chem.uzh.ch</a> <a href="javascript:" target="_blank" gdf-obfuscated-mailto="IrXrhhbJAgAJ" rel="nofollow" onmousedown="this.href='javascript:';return true;" onclick="this.href='javascript:';return true;">tiz...@chem.uzh.ch</a> </blockquote></div>