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<DIV>Dear molpro users,</DIV>
<DIV> </DIV>
<DIV>I am trying to perform CCSD(T)-F12 calculation for He atom with
avtz basis set. However, there is an error in out file. The error is as
follows:</DIV>
<DIV> </DIV>
<DIV>
<DIV>"Cannot find default basis AVTZ for atom He</DIV>
<DIV> Type=FIT</DIV>
<DIV> Context=JKFIT</DIV>
<DIV> Please specify a default basis or define basis sets for all atoms!"</DIV></DIV>
<DIV> -----</DIV>
<DIV> </DIV>
<DIV>My input file is as follows:</DIV>
<DIV> </DIV>
<DIV>
<DIV>*** He</DIV>
<DIV> </DIV>
<DIV>memory,300,m</DIV>
<DIV> </DIV>
<DIV>symmetry,nosym</DIV>
<DIV>angstrom</DIV>
<DIV>geometry={</DIV>
<DIV>He</DIV>
<DIV> }</DIV>
<DIV> </DIV>
<DIV>basis=avtz</DIV>
<DIV> </DIV>
<DIV>hf</DIV>
<DIV>ccsd(t)-f12a,df_basis=avtz/mp2fit,df_basis_exch=avtz/jkfit,ri_basis=avtz/jkfit</DIV>
<DIV>etot=energy</DIV>
<DIV>-----</DIV>
<DIV>Question: </DIV>
<DIV> What should i do to avoid this error?</DIV>
<DIV> </DIV>
<DIV>Advance thanks for your help!</DIV>
<DIV> </DIV>
<DIV>Best wishes!</DIV>
<DIV> </DIV>
<DIV>-limin</DIV></DIV>
<DIV> </DIV>
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