[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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