<div><br></div>Basis sets for Se, Ag, and Au are available in BASIS_MOLOPT, other basis sets are also available in BASIS_MOLOPT_UCL<div>Please provide the right path as BASIS_SET_FILE_NAME</div><div>The PP optimised for PBE are in GTH_POTENTIALS:  for Se GTH-PBE-q6, for Ag or Au  GTH-PBE-q11 or GTH-PBE-q19</div><div>Provide the right path as POTENTIAL_FILE_NAME</div><div><br></div><div>Regards</div><div>Marcella</div><div><br></div><div><br></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Sunday, August 9, 2020 at 3:18:31 PM UTC+2 ati...@gmail.com wrote:<br/></div><blockquote class="gmail_quote" style="margin: 0 0 0 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;"><div dir="ltr"><div>Dear admin and all group member, <br></div><div>Can anybody help me by providing the basis set and potential (preferably for PBE xc potential) for geometry optimization AuSe system? <br></div><div>my input :     <br></div><div>    &KIND Se<br>      BASIS_SET DZVP-GTH-PADE<br>      POTENTIAL GTH-PADE-q6<br>    &END KIND<br>    &KIND Ag<br>      BASIS_SET DZVP-GTH-PADE<br>      POTENTIAL GTH-PADE-q11<br>    &END KIND</div><div><br></div><div>Error info:</div><div> *******************************************************************************<br> *   ___                                                                       *<br> *  /   \                                                                      *<br> * [ABORT]                                                                     *<br> *  \___/    The requested basis set <DZVP-GTH-PADE> for element <SE> was not  *<br> *    |                 found in the basis set files <./BASIS_SET>             *<br> *  O/|                                                                        *<br> * /| |                                                                        *<br> * / \                                          aobasis/basis_set_types.F:1536 *<br> *******************************************************************************<br><br>Please help me in this aspect.<br></div></div></blockquote></div>