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General Questions and Answers / Re: No charge value when run the Mulliken population
« on: March 22, 2018, 13:02 »
From your log file it does not appear that you have run a Mulliken Population analysis: You do a non-selfconsistent Huckel calculation, then TotalEnergy, Bandstructure, and DensityOfStates analysis. However, the calculator log shows you that the occupation (DM) on P and N atoms is 5, and on H atoms it is 1.