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 Hegg?, Master Student University of Oslo
