Dear Wien2k user,
I have a very step-in question:
In case.struct,I find every element of rotation operation is integer,
which strongly indicates that the basis vectors are choosen as the primary cell
vectors,
however, in the subroutine star subroutine /SRC_dstart/stern.f, there are
dot-prod
No, these are not necessarily vectors in an orthogonal system. We adapt
the coordinates to the specific case, eg. in hex lattices, hexagonal
coordinates (with 120 angle) are used.
This is determined by the ORTHO variable in latgen.
??? schrieb:
> Dear Wien2k user,
> I have a very step-in qu
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