Dear wien2k users,
I have a technical question if somebody could help from own experience
or provide some hints.
I would like to calculate DOS by only considering the k points belonging
to one specific high symmetry direction (not from all the BZ). For
instance Delta direction....
Do you have any suggestion for doing that with existing/implemented
wien2k tools?
I know that using xcrysden one can generate the klist (like for bands
calculations). However, I see two problems:
(i) First, without using the kgen script the case.kgen would miss...
(ii) Second,as clearly mentioned in the user guide, in order to
calculate DOS a case.vector file corresponding to a “tetrahedral” k-mesh
is required, k-mesh as for band structurenot being suitable.
However, I wonder if there would be any possibility to do the single k
line (high-symmetry direction) DOS projection?
With thanks in advance and kind regards,
Coriolan Tiusan
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