[Wien] Charged cells using hybrid functionals

Marcelo Barbosa marcelo.b.barbosa at gmail.com
Thu Jan 11 08:08:29 CET 2018


Dear Sirs,

I’m trying to calculate a charged cell using hybrid functionals but the following error shows up:

"Charged cell and SWITCH3 not possible”

Looking at the mailing list archive, I only found this link from 2013 about this subject (https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg09546.html <https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg09546.html>) but I’m not sure if the problem is related since I don’t know what SWITCH3 corresponds to.
Is it still not possible to use hybrid functionals for charged cells?

Thank you for your help.

Best regards,
Marcelo
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