[Pw_forum] unit of mode vectors in matdyn.modes

[Yao Yao]

Hi Steve,

I didn't check the source code but I believe the unit is $2*\pi/celldm(1)$. 
With this assumption, results seem to match my expectation.

Regards,
Yao


On Thu, 13 Dec 2012 11:25:40 AM Steve Schmerler wrote:
> Hello
> 
> I'm doing a frozen phonon calculation for just one q-point and all
> it's modes by displacing atoms along eigenvectors from matdyn.modes
> obtained by a previous phonon calculation.
> 
> I looked through the documentation and the relevant source files but
> couldn't figure out the unit / normalization of
> 
> * the eigenvectors in matdyn.modes
> * the q-points (I guess fractional w.r.t. reciprocal unit cell)
> 
> Thank you.
> 
> best,
> Steve
-- 
Yao Yao
PhD. Candidate
3rd Generation Strand
ARC Photovoltaics Centre of Excellence
University of New South Wales
Sydney, NSW Australia