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Simple way to use the -3c methods of Grimme et al.?
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tibo...@gmail.com
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Jun 11, 2026, 11:41:40 AM (10 days ago)
Jun 11
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Dear all,
The Grimme group has released a number of interesting composite DFT methods under the the -3c series (e.g. ωB97X-3c,
r
2
SCAN-3c).
Is there a relatively simple way to use them in Molpro? Or an example input file perhaps?
Thanks,
Tibor Győri
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