I believe that the unit is electron charge. (I might be wrong, but this
would make the most sense.)
You can test this by summing all of the charge on the xsf grid. If it
adds to an integer and this integer is the number of valence electrons
used in your calculation then this is the correct unit.
On 12/22/11 2:52 PM, Abbas Ebnonnasir wrote:
Dear SIESTA users,
I converted the RHO file (charge densities) to xsf format using the
rho2xsf code. Now I'm trying to process the xsf file but I don't know
what is the unit of each number there. Can anybody help me to figure
it out please?
Thanks
Abbas
