hi 
dear siesta users, 
I want to know charge transfer a system after and before adsorption of CO, NO, 
NO2, NH3 molecules in the graphene sheet.
I produce the file systemlable.mulliken by package siesta3.2 but i dont know 
how tdaso use it.
The best result was obtained with mulliken or Badr ?
Best regards
hamidreza balangi

Responder a