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
-------------- next part --------------
An HTML attachment was scrubbed...
URL:
http://pwscf.org/pipermail/pw_forum/attachments/20121115/6adbe171/attachment.html
