Dear All,
Hi.
I have two huge supercells (almost 320 atoms) differs only in one
(additional) electron.
I tried to find the charge density difference (and also wavefunction
difference in one band and one specified k-point) with pp.x program. It
keeps giving me the "incompatible celldm" error; the cell dimensions are
identical, though.
I was wondering whether it happens because the supercells are too big. If
positive, whether there is any other way to get the differences.
Thank you for your help.
M Alaaii
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