Dear wien2k community,
When I am trying to run calculations with hybrid exchange-correlation
potential, the hf program produces an error without much details on what went
wrong (error in calc_h_1: info not equal to 0). I see that there is some
problem with the atom where I added HDLO (NaN in scf2hf).
Without HDLO, same case works without any problem as expected. Is this expected
behavior or this is some kind of bug?
I checked the User Guide and the incompatibility between HDLO and HF is not
mentioned.
Thank you in advance.
Sincerely yours,
Mikhail Nestoklon
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