[Pw_forum] about the output of projwfc.x

Paolo Giannozzi giannozz at democritos.it
Mon Sep 22 11:52:21 CEST 2008


wangqj1 wrote:

>  Atom  O  1 total charge =   7.4091, s, p, d, f =   0.8321    6.5770  000000

>  Atom Zn 1 total charge = 5.8953, s, p, d, f = 2.8952  0.0000  3.0001

funny. Could you please provide a test job? P.

-- 
Paolo Giannozzi, Democritos and University of Udine, Italy



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