[molpro-user] Td-DFT in molpro

[Martin Spenke]

Dear all, 
I have trouble with auxiliary basis function in TD-DFT :
angstromgeomtyp=xyzgeometry={C            .049798    -.576272     .000000C            .049798     .710988     .000000H           -.876750   -1.151844     .000000H            .969183   -1.154639     .000000H           -.690013    1.498185     .000000}
!basis=aug-cc-pVTZ!df_basis=aug-cc-pVTZ/jkfit
basis={aug-cc-pVTZdf_basis=aug-cc-pVTZ/jkfit }
ks,pbe;save,2100.2df-tddft,orb=2100.2,nexcit=10

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This input file does not work due to lack of a proper assignment of the auxiliary basis functions.How should DF-basis functions be given ?
Best wishesMartin



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