[Pw_forum] Problem with phonon calculation

[Paolo Giannozzi]

Arun Kumar Manna wrote:

>  I am facing problem during phonon calculation with PWscf.
>  It creates a lot of files of total size about 65GB and on 
>  successfully completion of scf step, it starts to calculate 
>  phonon step but after some time it was killed.

out of memory? if pw.x writes 65Gb (!) the system you have is
big, maybe too big for a phonon calculation. Also note that
for a full phonon calculation you need 3*Natoms linear-response
calculations, each of which takes at least as much CPU time as
the single SCF calcultion.

Please do not send messages with a long useless quote
(this is valid for everybody!)

Paolo
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy