<p>Dear Molpro users,<br></p><p>I was trying to run a DF-DFT-SAPT calculation but I got the error:</p><p>? Error<br>? Basis set  not found<br>? The problem occurs in load_basis<br></p><p></p><p>I think it's a problem with the basis sets for the density fitting part of the calculation. Any suggestions would be greatly appreciated. I'm giving the input file below,<br>

</p><p>regards,</p><p>Adi</p><p>Input file:</p><p>***************************************************</p><p>! dimer<br>memory,500,M<br>geomtyp=xyz<br>geometry={<br>25           ! number of atoms<br>
bla<br>C1,-0.03536,1.46799,1.86207<br>C2,1.36108,1.46795,1.86207<br>C3,2.05927,0.25858,1.86207<br>C4,1.36102,-0.95075,1.86207<br>C5,-0.03543,-0.95072,1.86207<br>C6,-0.73361,0.25866,1.86207<br>H7,-0.57931,2.41021,1.86207<br>


H8,1.90509,2.41014,1.86207<br>H9,3.14723,0.25855,1.86207<br>H10,1.90497,-1.89297,1.86207<br>H11,-0.57943,-1.89290,1.86207<br>H12,-1.82157,0.25869,1.86207<br>C13,-2.08233,-0.24134,-1.73795<br>C14,-1.38463,0.96921,-1.73793<br>


C15,0.00909,0.97750,-1.73794<br>C16,0.70430,-0.24143,-1.73792<br>C17,0.00901,-1.46030,-1.73794<br>C18,-1.38472,-1.45192,-1.73792<br>H19,-3.16940,-0.24129,-1.73792<br>H20,-1.92741,1.91088,-1.73795<br>H21,0.56163,1.91339,-1.73791<br>


H22,0.56146,-2.39624,-1.73792<br>H23,-1.92753,-2.39357,-1.73794<br>C24,2.14047,-0.24142,-1.73793<br>N25,3.32416,-0.24136,-1.73794<br>}<br>GTHRESH,ENERGY=1.d-8<br>CARTESIAN<br>BASIS aug-cc-pVDZ<br>{ks,lda}<br><br>!wf records<br>


ca=2101.2<br>cb=2102.2<br>edm=energy<br><br>!monomer A<br>dummy,C1,C2,C3,C4,C5,C6,H7,H8,H9,H10,H11,H12<br>{ks,lda; asymp,0.0621851, save,$ca}<br>ema=energy<br>sapt;monomerA<br><br>!monomer B<br>dummy,C13,C14,C15,C16,C17,C18,H19,H20,H21,H22,H23,C24,N25<br>


{ks,lda; asymp,0.072031107, save,$cb}<br>emb=energy<br>sapt;monomerB<br><br>!interaction contributions<br>{sapt;intermol,ca=$ca,cb=$cb,CPKSTHR=1.d-8,fitlevel=3 dfit,basis_coul=jkfit,basis_exch=jkfit,basis_mp2=mp2fit,cfit_scf=3}<br>


<br>esup=(edm-ema-emb)*1000. mH<br>dHF=esup-e1pol-e1ex-e2ind-e2exind<br><br>*************************************************************************************<br></p>