[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


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Lorenzo Paulatto
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