<div dir="ltr"><div>There are two ways:</div><div>the first: make one basis set file entitled" BASISSET" which contains your basis sets data and in your input file in the DFT section, rename BASIS_SET_FILE_NAME ./BASIS_MOLOPT to BASIS_SET_FILE_NAME ./BASISSET</div><div>or<br></div><div>the second: in your input file:<br></div><div>&DFT <br> BASIS_SET_FILE_NAME BASIS_MOLOPT <br> BASIS_SET_FILE_NAME GTH-BASIS-SETS<br> POTENTIAL_FILE_NAME GTH_POTENTIAL</div><div><br></div><div><br></div><div><br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Sun, May 16, 2021 at 1:04 PM sumit agrawal <<a href="mailto:sumitag...@gmail.com">sumitag...@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr">Thanks for the reply!!!<br><div><br></div><div>Yes we can use it. But how to insert two basis set files in the input file? Here I am attaching my input file. In this file I am using the BASIS_MOLOPT basis set for carbon and oxygen. Now I also incorporate GTH_BASIS_SETS for argon atoms. Can we insert both the basis set files? If yes, can you please tell me how? </div><div><br></div><div><br></div><div><br></div><div>Thanks,</div><div>sumit</div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Sun, May 16, 2021 at 1:18 PM Tahere Kheshti <<a href="mailto:tahere...@gmail.com" target="_blank">tahere...@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr"><div>Dear Sumit</div><div>We can use different basis sets for all atoms.</div><div><br></div><div>regards<br></div><div><br></div><div>Tahere<br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Sun, May 16, 2021 at 11:12 AM sumit agrawal <<a href="mailto:sumitag...@gmail.com" target="_blank">sumitag...@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr">Hii,<div><br></div><div>Can we use two BASIS SETS files (BASIS_MOLOPT and GTH_BASIS_SETS) and one POTENTIAL (GTH_POTENTIAL) file for my system?</div><div><br></div><div>Since my system contains Ar, C, O atoms. In BASIS_MOLOPT I am getting TZV2P-MOLOPT-GTH basis sets for C and O. But for Ar i want to use the TZVP-GTH basis set, which is available in GTH_BASIS_SETS. </div><div><br></div><div>Please help!!</div></div>
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