Hello everyone, I have a simple question regarding to the localization of WFs. It seems to be intuitive that an individual spread for each MLWF less than the size of unit-cell ensures that it is localized well-within the unit-cell. I need to justify some models I'm creating and I recently realized that It could exist rare systems in which the MLWFs can surpass the size of the unit-cell or even have another periodicity. These cases will break my approximations. Could you give me any references about the spread values and the localization within the unit-cell? I know It could sound senseless, but I need to make it as clear as possible.
Thanks in advance! -- Emanuel A. Martínez Departamento de Física de Materiales Universidad Complutense de Madrid
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