[Pw_forum] Is there

Alessandra Satta alessandra.satta at dsf.unica.it
Tue Nov 1 10:47:47 CET 2005


e1 [110] and e2 [001] represent the two vectors composing the plane on
which the charge density is computed and hence plotted. The origin is here
given by its default value (0 0 0).
Whenever you'll need to shift the origin to a different point you shall
add the "new origin"
coordinates: x0(1) = XX, x0(2)=YY, x0(3)= ZZ.
a.

> In the example 05,
>  cat > si.chdens.in << EOF
>  &input
>     nfile = 1
>     filepp(1) = 'sicharge'
>     weight(1) = 1.0
>     iflag = 2
>     plot_out = 1
>     output_format = 2
>     fileout = 'si.rho.dat'
>     e1(1) =1.0, e1(2)=1.0, e1(3) = 0.0,
>     e2(1) =0.0, e2(2)=0.0, e2(3) = 1.0,
>     nx=56, ny=40
>
>
> is there anyone who can tell which direction it calculated?
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