Hi,
No, HDLOs do not work with the hf module. You can use a HELO
(high-energy LO) instead, but be careful with the setting of its energy
parameter.
I'll mention it in the UG and put a stop in the scripts.
Best regards
Peter Blaha
Am 16.11.2022 um 11:48 schrieb Mikhail Nestoklon via Wien:
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 sc
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