[Pw_forum] pp.x for getting the difference
Paolo Giannozzi
giannozz at democritos.it
Thu Nov 15 22:54:36 CET 2012
On Nov 15, 2012, at 20:56 , pari shok wrote:
> I use pp.x to get the difference of the charge densities [...]
> However, it does not work for the supercells of Si/SiO2 with
> and without one additional electron. It keeps giving me
> "incompatible celldm" error; the supercell dimensions are
> identical, though.
somebody posted the same question (to which I answered) a few days ago
>
P.
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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