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
- [SIESTA-L] charge transfer Hamidreza Balangi
- [SIESTA-L] Charge Transfer Suman Chowdhury
- Re: [SIESTA-L] Charge Transfer Sherif Tawfik
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- Re: [SIESTA-L] Charge Transfer Bishal Bhattarai
- Re: [SIESTA-L] Charge Transfer Suman Chowdhury
- Re: [SIESTA-L] Charge Transfer Arun Kumar
- Re: [SIESTA-L] Charge Transfer I. Camps
- Re: [SIESTA-L] Charge Transfer Suman Chowdhury
