[Pw_forum] Phonon calculation references

Nicola Marzari marzari at MIT.EDU
Wed Jul 26 00:32:14 CEST 2006


There is a Review of Modern Physics by Baroni et al that is the most
complete reference. The phonon PRB of 1991 is very complete on
technicalities.

The "Handbook of Materials Modeling" has also a recent and concise 
review, that happens to be freely available in the sample pages
section:

http://www.springer.com/east/home/physics?SGWID=5-10100-22-48576847-detailsPage=ppmmedia|samplePages

nicola


Eric Abel wrote:
> I was wondering if anyone could point me to some references on the 
> theory behind ph.x, i.e. how to calculate a dynmaical matrix from the 
> results of a scf calculation.  Basically I would like to try to 
> understand the nuts and bolts of the program, and therefore some 
> background theory is of necessity.
> 
> Thanks,
> 
> Eric
> 
> 
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