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An error in the Lanl2DZ ECP of thallium #291
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Might be good to check other elements as well... |
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Hi,
I found a p-g pseudopotential is a little different from the one in Gaussian.
2 0.9512915 16.4655317
Gaussian:
2 0.9812915 16.4655317
According to the reference (J. Chem. Phys. 82, 284, 1985, Table III), the latter one is correct.
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