[Wien] Meaning of background charge in case.inm

Israel Omar Perez Lopez israel.perez at uacj.mx
Tue May 28 00:29:53 CEST 2019


Hello everyone,


I am doing core-hole calculations to get the DOS for hematite and I am removing a core electron from case.in. I know that I have to add this electron to either the valence states in case.in2 or the background charge in case.inm, but I don't understand what is called background charge. The UG reads that bgch is the background charge to apply to the cell. What is the nature (physical meaning) of this charge? As I understand, the only charge in a cell is due to nuclei and electrons, but materials are neutral.. Thanks


Regards


Israel Pérez

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