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<p style="font-family: Calibri, Helvetica, sans-serif, serif, EmojiFont;">Hello all,</p>
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<p style="font-family: Calibri, Helvetica, sans-serif, serif, EmojiFont;">At the end of a spin-polarized, self-consistent field calculation the code prints a list of atoms, their charges, magnetizations, and any constraints applied to them. </p>
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<p style="font-family: Calibri, Helvetica, sans-serif, serif, EmojiFont;">Particularly I'm interested in this charge quantity. I'm trying to model a dopant in a particular charge state and if this quantity is to be believed, then I think I've got it. My question
is really just,<span style="font-size: 12pt;"> how much can this number be trusted? </span></p>
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<p style="font-family: Calibri, Helvetica, sans-serif, serif, EmojiFont;"><span style="font-size: 12pt;">In my case, because it indicates that the charge on this atom is 3 less than that valence charge specified in the pseudo-potential, is this a good indication
that I'm modeling it in a +3 charge state?</span></p>
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<p style="font-family: Calibri, Helvetica, sans-serif, serif, EmojiFont;">Thanks in advance for any guidance,</p>
<p style="font-family: Calibri, Helvetica, sans-serif, serif, EmojiFont;">Eric Suter</p>
<p style="font-family: Calibri, Helvetica, sans-serif, serif, EmojiFont;"><span style="font-size: 12pt;">PhD candidate</span><br>
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<p style="font-family: Calibri, Helvetica, sans-serif, serif, EmojiFont;"><font size="3">Department of Physics and Astronomy</font></p>
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<p style="font-family: Calibri, Helvetica, sans-serif, serif, EmojiFont;">University of Georgia</p>
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