[Pw_forum] Units in dynamical matrix files
Lorenzo Paulatto
paulatto at sissa.it
Wed Jul 8 17:23:35 CEST 2009
In data 08 luglio 2009 alle ore 16:55:12, Serge Nakhmanson
<nakhmanson at anl.gov> ha scritto:
> I think the difference here is the same as
> between Ry and Ha energy units, so that in
> the "convention" that QE uses an extra 1/2
> proliferates into the mass units as well.
I does indeed, Rydberg atomic units have a few quirks. The other important
one in electron_charge = sqrt(2)
If you are interested in more details, have a look at this table I found
on google where everything is explained clearly:
<http://ilan.schnell-web.net/physics/rydberg.pdf>
best regards
--
Lorenzo Paulatto
SISSA & DEMOCRITOS (Trieste)
phone: +39 040 3787 511
skype: paulatz
www: http://people.sissa.it/~paulatto/
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