[Wien] help with example running TiC

[Minghao Zhang]

Dear professor:

When I generate the structure file of TiC using w2web interface, I found
that the Mult for both Ti and C are automatically set as 1, but according
to the symmetry, in NaCl type of structure, there are two independent
atoms, both of which should have four identical atoms, which means Mult
should be four. I got confused should I edit the structure file to change
the Mult?

FYI, the TiO2 example is correct for the Mult automatically set through
w2web generation, Ti is 2, O is 4.

Best regards,

-- 
Minghao, Zhang, Graduate Student.
Department of NanoEngineering
University of California, San Diego
SME Building, room 242C
9500 Gilman Drive
La Jolla, CA 92093
Cell: 858-956-9058
e-mail: miz016 at eng.ucsd.edu <kjcarroll at ucsd.edu>
Group website: http://ne.ucsd.edu/smeng/
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