If yes, how and what type of coding we have to use?
I would like to do the simulation of I-V characteristics of Organic Field Effect Transistor from DFT, please help me how to use the coding of DFT
There are several programs capable of calculating I-V curves with DFT theory, however, in my experience, only rather small systems can be treated. I know of ATK, Qchem and Quantum Espresso.
You may use DFT coupled to NEGF, as implemented in TranSIESTA
@ Alexander Kaiser, Thank you so much
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See above.
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