Error while calculating MEP using orca 5.0 ?

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Andrey Degtyarev

Did you use the !KeepDens keyword?

Without it, the density matrix will not be generated

Arzoo Jangra

Andrey Degtyarev Thankyou for your reply but yes i used the keyword but with verion 5.0 it is not working. Instead of .scfp file it is creating .densities file. Can you please tell how to generate this file using version 5.0

Tell me what the command shows:

orca_vpot Filename.densities

And it is advisable to provide an input file