[Pw_forum] Phonon calculation for Pnma structure

[Paolo Giannozzi]

On Wed, 2011-10-12 at 15:11 +0530, Pankaj Pankaj wrote:

> When i do SCF calculation for Pnma structure, do not see all
> symmetries present in system and find only 2 symmetries, which is not
> the case for Pnma. Also message displays symmetries with points 0.5
> 0.5 0.5 ignored.................So i dont understand with this
> message, and only 2 symmetries, calculations are correct or
> not......................and getting less symmetry points is a real
> problem with my calculation or something else. 
> 
> Please let me know where is problem,

the problem is that you, like everybody else, didn't bother looking into the user guide:
http://www.quantum-espresso.org/user_guide/node52.html#SECTION0001210190000000000000
-- 
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy