Dear QE Developers and Users,
I have constructed a supercell containing two molecules "A" and "B" well
separated by, say, 15 Bohrs distance. Now I give a total charge +1 for the
cell. How the code decides to assign the charge +1 to molecule "A" or "B"?
Any comments is highly appreciated.
Best regards,
Mahmoud Payami
Condensed Matter Section
Physics Group, AEOI, Tehran-Iran
Email: mpayami at aeoi.org.ir
Phone: +98 (0) 21 82064393
Fax: +98 (0) 21 88221105
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