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
