[Wien] Monoclinic setting in Wien2k-regarding

[Ghosh SUDDHASATTWA]

Dear Wien2k users, 

I would like to know if negative coordinates are allowed in StructGen
module. 

As for a monoclinic setting, the standard is C12/m1 and if we convert it to
a non-conventional setting B112/m, the various atomic positions (x, y and z)
are coming negative. This was done in the module available in the Bilbao
Server. 

Since it is one of the limitations of Wien2k, I would like to know if
negative atomic positions are permissible in Wien2k. 

 

Suddhasattwa 

 

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