Total electrons from cp2k dos
ashishd... at gmail.com
Wed Aug 16 10:23:49 UTC 2017
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
number of electrons. I saw that integrating total dos doesn't give me the
number of electrons which is printed in the output. I get number
10 20 etc. The dos is gaussian/as printed.
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