Hello all!
I want to compare the difference of the zero bias transmission spectrum(TS) under various method parameters, for example K-point samping. The SCF calculation with specific K-point(1x1x500) has been executed and I used it to run the corresponding TS. Then I change K point to another one. Should I re-calculate zero bias SCF in this K-point setup firstly before the new TS calculation will start?
In other words, is the zero bias SCF result in specific parameters always useable for all analysis calculation even one has changed the method parameters?
One more question, in the case above mentioned, should the K-point be samed in "method" with in "analysis" when one calculates TS? I know the post "About the Number of k-points ?" in this forum, but I am still confused a bit. Which one can bring more effect on the transmission results?
Best regards!