[Pw_forum] Symmetry in PWSCF 1.3.0 - were there any bugs?
konstantin_kudin at yahoo.com
Thu Jan 22 21:41:07 CET 2004
Sorry for the empty message - I hit "send" accidently
I am trying to run Y2O3 with 1.3.0, and the same
input (coordinates and lattice vectors) produced 24
sym operations with 1.2.0, but only 6 sym operations
with 1.3.0. The unit cell has 80 atoms (Ia3 symmetry).
I seem to recall some discussion on the list about
some symmetry issues, but the archive does not seem to
be searchable, so I can't find that message.
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