From the supporting information of the original HSE-3c paper (Phys. Chem. Chem. Phys., 2016,18, 15519-15523 DOI), the gCP parameters for HSE-3c should be:
sigma = 1.00000
eta = 1.40858
alpha = 0.29083
beta = 1.95260
In the code, slightly different values are used:
p(1)=1.00000d0 ! sigma
p(2)=1.32378d0 ! eta
p(3)=0.28314d0 ! alpha
p(4)=1.94527d0 ! beta
Is this a bug or some later update to the HSE-3c parameters?
From the supporting information of the original HSE-3c paper (Phys. Chem. Chem. Phys., 2016,18, 15519-15523 DOI), the gCP parameters for HSE-3c should be:
sigma = 1.00000
eta = 1.40858
alpha = 0.29083
beta = 1.95260
In the code, slightly different values are used:
Is this a bug or some later update to the HSE-3c parameters?