[Pw_forum] Wrong oxygen mass in example 13

[Paolo Giannozzi]

On Mar 10, 2010, at 17:19 , Dan Michael Olsen Heggø wrote:

> I discovered that the oxygen mass is given as 55.847 in example 13,
> which is in fact the mass of iron. While this doesn't affect the  
> result, it
> should probably be corrected :)

done, thank you

> This leads me to a (perhaps stupid) question: In what type of  
> calculations
> is the ionic mass used? MD and phonon calculations?

correct (not sure about phonons, though: the phonon code also reads
masses in input data)

P.
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Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222