[DFTB-Plus-User] STO for waveplot + xTB
toufik essakhri
tousak at hotmail.fr
Wed Nov 1 12:04:16 CET 2023
Dear all,
>From where I can get the STO coefficients for some transition metals (Cr, Mn, V, ..) to run waveplot calculations using the xTB hamiltonian.
Thank you in advance
Toufik
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