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. > > > > ------------------------------------------------------------------------ > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum -- o ------------------------------------------------ o | Gabriele Sclauzero, PhD Student | | c/o: SISSA & CNR-INFM Democritos, | | via Beirut 2-4, 34014 Trieste (Italy) | | email: sclauzer at sissa.it | | phone: +39 040 3787 511 | | skype: gurlonotturno | o ------------------------------------------------ o
