Total electrons from cp2k dos

ashish dabral ashishd... at gmail.com
Wed Aug 16 12:23:49 CEST 2017


Hi,

Can anyone tell how I can calculate the right number of electrons from 
density of states.
I am trying to integrate the total dos read from the pdos files to obtain 
the 
number of electrons. I saw that integrating total dos doesn't give me the 
exact
number of electrons which is printed in the output. I get number 
differences of 
10 20 etc. The dos is gaussian/as printed.

Any pointers?

Thanks
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