[DFTB-Plus-User] Quadrupole moment

Bhatt, Mahesh M.D.Bhatt at warwick.ac.uk
Mon Feb 4 14:52:37 CET 2013


Hi All,

Could we calculate quadrupole moment like dipole moment in detailed.out file using DFTB+? If yes, please let me know which input parameter I will have to set in input file.

Regards
Mahesh Bhatt
University of Warwick
UK


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