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 - Universit? 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/
