Is there any file we can use to find HOMO-LUMO after SIESTA (or) Transiesta Calculation.
The eig file contains the eigenvalues from the scf. Then it should be trivial to figure out the homo/lumo levels.
For transiesta you can't do it, due to the open boundary conditions.
Thank You Sir.
Sir can you please tell me what values of Transmission T(E), LDOS should i use to plot Transmission Vs energy because i am getting these values after every transport calculation using TB trans.
and also how can i get the normalised counts.
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