[Pw_forum] pp.x for getting the difference

pari shok parishok at gmail.com
Thu Nov 15 20:56:11 CET 2012


Hi.
I use pp.x to get the difference of the charge densities.
I tested it for a unit cell of a Si, with and without an additional
electron (hole), and it works properly.
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.
I was wondering how possibly I could solve the problem.
Thanks for your help.
p Shok
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