[Pw_forum] How to output the symmetry operation matrix?

Gabriele Sclauzero sclauzer at sissa.it
Tue Mar 9 09:06:25 CET 2010


ruizhi zhang wrote:
> Dear all,
>  
> I want to output the symmetry operation matrix from PW, could any one 
> give some hint?

verbosity='high'

>  
> 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? 

the matrices will be printed on the standard output after the number of symmetry operations

>  
> I read the source file of allsysm.f90 and some others, but haven't find 
> any useful information.
>  
> Thanks in advance!

You're welcome,


GS

>  
> 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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> 
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| Gabriele Sclauzero, PhD Student                  |
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