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k-resolved transmission spectrum

Asked by maluneelambari

Hi,
Is it possible to draw k-resolved transmission spectrum from the output file of tbtrans?
If it is possible is there any utility code required for this?
Thanks

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Nick Papior (nickpapior) said : 		#1

The sisl tool enables you to do this. Please see http://zerothi.github.io/sisl/docs/latest/api-generated/sisl.io.tbtrans.tbtncSileTBtrans.html#sisl.io.tbtrans.tbtncSileTBtrans.transmission

and specify kavg=<integer> and loop over k-indices.

This, for instance, would loop over different k-points and print the k-resolved transmission to the stdout

import sisl as si
tbt = si.get_sile('siesta.TBT.nc')
for ik, k in enumerate(tbt.k):
    T = tbt.transmission(0, 1, kavg=ik)
    print(T)

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