Hi all, once more.
I have a question related to the use of semicore states in transport:
I know semicores are important in several materials to get a proper
electronic structure and optical properties.
Nonetheless, what about transport done with the siesta package for example ?
To my experience I would include them a priori, but maybe is there any
rule of thumb about their use for different materials when dealing with
transport ?
Thanks a lot
federico
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Dr. Federico Iori, PhD!
Dipartimento di Scienze e Metodi per l' Ingegneria (DISMI)
Universita' di Modena e Reggio Emilia
Via Amendola,2
Pad. Morselli
42122 Reggio Emilia (Italy)
