[Pw_forum] Wrong oxygen mass in example 13

Dan Michael Olsen Heggø dmheggo at student.matnat.uio.no
Wed Mar 10 17:19:46 CET 2010


Hi,

While playing around with the many wonderful examples provided, 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 :)

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

Thanks!

-- 
Dan Michael Heggø, Master Student
University of Oslo







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