[Pw_forum] PP output

[Lorenzo Paulatto]

In data 18 novembre 2010 alle ore 20:03:36, Peter O Orondo  
<orondo at mit.edu> ha scritto:
> I am using pp to get charge densities, and plot in gnuplot. It is all
> working fine (thanks to forum answers). I just have a question on units:  
> I
> am assuming the output of pp is in C/m^3. Am I correct?

It is atomic units, namely qe/a0^3. a0 in the bohr radius, but I'm not  
sure if qe is 1 or sqrt(2). This issue has already been discussed on the  
mailing list a few times I think you should a be able to find a documented  
sensible answer in the archives. If you need to be 100% sure you will have  
to integrate it.


-- 
Lorenzo Paulatto
post-doc @ IMPMC/UPMC - Université Paris 6
phone: +33 (0)1 44 27 74 89
www:   http://www-int.impmc.upmc.fr/~paulatto/

previously (take note of the change!):
phd student @ SISSA  &  DEMOCRITOS (Trieste)
phone: +39 040 3787 511
www:   http://people.sissa.it/~paulatto/