[Wien] x symmetry information
Peter Blaha
pblaha at theochem.tuwien.ac.at
Tue Jul 28 10:39:09 CEST 2009
No, everything is ok. (This is just an information of an internal trick
we use for monoclinic symmetry)
Aaron schrieb:
> Dear Wien2k developers and users:
>
> There is a message in the stage of 'x symmetry' while initializing
> calculation, which I didn't meet before. It says: alpha(3) .lt. 88.0;
> reset to 90.1
> Does it mean one angle of the basis vectors of unit cell has been
> changed? I want to know if the message means there is some abnormal with
> my structure.
> Any explanation will be appreciated.
>
> Best regards,
> Aaron
>
>
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--
P.Blaha
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