[DFTB-Plus-User] Dipole moment

Nénon Sébastien s.nenon at ism.u-bordeaux1.fr
Tue Jan 11 14:40:14 CET 2011


Dear DFTB+ users,

I can't find a way to get the dipole moment value after a single point calculation. Is it possible to compute it? Or to get it later with a tool (from charge.bin for example)?

Best regards


Sébastien Nénon


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