hubbard
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Open system contours
Hi both,
I have now created a utility which reads in TS.ChemPots
and TS.Contour.*
and then creates the required contours.
E.g. it could be useful for you when running open systems since you can change stuff in an fdf file, run tscontour CONTOUR.fdf
and you will get the TSCC*
contour outputs.
Perhaps this may be useful?
You can find it here: https://gitlab.com/nickpapior/siesta/-/archive/tbtrans-store/siesta-tbtrans-store.zip
Util/TS/tscontour