[Pw_forum] Incompatable nr1 or nr2 or nr3

[Paolo Giannozzi]

On Jan 31, 2008, at 16:09 , Hashem Al-Yamani wrote:
>
> The oxygen input file was :
> [...]
>    ibrav=1,
>    celldm(1)=14.0,
> [...]
> And the whole system input file was :
> [...]
>   ibrav       = 6,
>   celldm(1)   = 8.6714,
>   celldm(3)   = 6.923880978

you cannot plot differences between charge densities
calculated for different unit cells

Paolo
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Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222