[Pw_forum] Advice on Electron-Phonon Calculations

[Paolo Giannozzi]

On Saturday 03 January 2009 17:55, Carlos Reis wrote:

> The calculation of the phonons in parallel also worked reasonably well
> although I still don't know how to make ph.x to write  the large *.dwf 
> and *.bar files in the /tmp of each node  (or even if that is possible). 

if you specify a directory that is local to each node, each process should
write its slice of data to it. Note however that each process will try to read 
its slice of data from it as well (unless you specify to pw.x that you want
all your data written to a single place, wf_collect=.true.)

> Is there some other way to do this electron-phonon calculation taking
> advantage of parallelization over the k-points?.

unfortunately the parallelization over k-points is not implemented for
electron-phonon calculations. if I remember correctly, its implementation
together with the current algorithm is not completely trivial.

Paolo
-- 
Paolo Giannozzi, Democritos and Udine University