Dear Filipe,
Thank you so much for your reply. Based on the pseudopotentials, I found the
sum of positive charges is +1.883 and negative charges are -2.8718 and they are
not equal.
Could you kindly tell me if it can be true or not?
Best regards,
Raha
Sent from Windows Mail
Dear All,
I used projwfc.x to produce PDOS and lowdin charges but all of total charges
are positive as below.
I don’t know if my output is correct or I should do another calculations to
reach the final output. Based on my knowledge sum of the charges of all atoms
have to be equal to zero.
