Dear Zhiyong Zhang,
You should look at the user guide page 40:
"For R lattice use rhombohedral coordinates. (To convert from hexagonal
into rhombohedral coordinates
use the auxiliary program hex2rhomb, which can be called at a command-line:"
Regards
Xavier
> Dear All,
>
> I am trying to us
Dear All,
I am trying to use w2web to generate structures for Bi2Se3. I chose the space
group R-3m and entered the three non-equivalent atoms. However, the generated
structure seem to be incorrect as only one of the three equivalent positions of
Atom 3 are generated.
Even if I use and upload
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