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[myid520@163.com]

Dear Masayoshi and Ronaldo Giro,

    Sorry for replay late. I’m making a move recently, migrating from 
Changsha to Dalian. Masayoshi may known the two sity. Dalian is closer to 
Japan.

   I have tested the utility macroave and parameter prt1dm. Macroave gives 
macroscopic average of the total (Kohn-Sham) potential, Hartree potential, 
exchange-correlation potential, and sum of Hartree potential and 
exchange-correlation potential. the parameter Prt1dm provides one-dimensional 
projection of total (Kohn-Sham) potential. they don’t provide electrostatice 
potential at all.

Maybe I have some misunderstanding. But I want to known whether these 
potentials have relation with electrostatic potential. Does there have 
someone who have experiences of calculating the work function. 

Your help will be greatly appreciated!
Best regards

Zhenhua Zeng
Hunan University, PR. china