[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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