Dear Colleague
First of all please sign your posts to this forum with name and
scientific affiliation.
It's impossible to help you if you do not provide any detail of your
calculation. pw.x and ph.x input files are necessary to check if one
(among many) critical parameter is likely responsible for your
convergence difficulties. This does not imply, of course, that ALL
convergence difficulties can be overcome...
HTH
Giuseppe
Shubham Tyagi <[email protected]> ha scritto:
Respected Sir/Ma'am
I was doing phonon calculation for a supercell and I encountered with a
problem that the calculations did not converge as the maximum iteration was
till 100 only.
I tried changing the maxter from 100 to 300 but all in vain. This all was
for phonon calculation. So can you provide me with some way to increase the
number of iterations for phonon calculation?
GIUSEPPE MATTIOLI
CNR - ISTITUTO DI STRUTTURA DELLA MATERIA
Via Salaria Km 29,300 - C.P. 10
I-00015 - Monterotondo Scalo (RM)
Mob (*preferred*) +39 373 7305625
Tel + 39 06 90672342 - Fax +39 06 90672316
E-mail: <[email protected]>
_______________________________________________
users mailing list
[email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
