[Pw_forum] How to output the symmetry operation matrix?

ruizhi zhang rui_zhi_zhang at yahoo.com
Tue Mar 9 08:41:44 CET 2010


Dear all,
 
I want to output the symmetry operation matrix from PW, could any one give some hint?
 
I want to obtain ALL k-points in the whole Brillouin zone from the k-points in the irreducable Brillouin zone, as given in *.scf.out file. So the symmetry operation matrix are needed. In the *.out file, only the number of sysmmetry operation is given. Could any one tell me in which file the matrix can be output? 
 
I read the source file of allsysm.f90 and some others, but haven't find any useful information.
 
Thanks in advance!
 
Ruizhi 

--------------
Ruizhi Zhang, PhD
Graduate School of Engeering, Nagoya University, Nagoya, Japan
School of Physics, Shandong University, Jinan, P.R.C.


      
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