<div dir="ltr"><div>Dear all,</div><div>i would like to use the LRIGPW scheme for optimisation of a cell with a non orthorhombic crystal. It is a cobalt complex. From the data directory, i can only find LRIGPW basis sets for very few elements and a quick search of literature also did not provide anything else. Now https://www.cp2k.org/howto:lrigpw states that "Auxiliary basis sets are available for the MOLOPT basis sets. All
auxiliary basis sets have been generated by simple geometric progression
without any need for further optimization." Is there a reasonably easy way to construct the LRIGPW basis sets by myself from the Molopt basis sets? I cannot find anything in the manual.</div><div><br></div><div>Best wishes</div><div>Phillip<br></div></div>