[DFTB-Plus-User] Slater-Kirkwood dispersion corrections

[Goldman, Nir]

Hi All,

I noticed that stress tensor calculations are disallowed when Slater-Kirkwood dispersion corrections are turned on (tStress = .false. in initprogram.F90). Is there a methodological reason for this?

Thanks,

Nir

--
Nir Goldman
Material Sciences Division, PLS
Lawrence Livermore National Laboratory
P.O. Box 808, L-288
Livermore, CA 94551-0808
Phone: (925) 422-3994
Fax: (925) 422-2382
https://pls.llnl.gov/people/staff-bios/msd/goldman-n
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