I am new user to the Exciting code. So far I have really enjoyed using the code and I thank the authors for the code.
I am trying to compute the workfunction of a metal slab and am not sure how I can do it using this code. Since it's a periodic code, I tried using the vaccum - fermi energy method. But I wasn't successful in getting a good plane-averaged Hartree potential. I am more used to pseudopotential codes and that's the way I would compute the work-function in those codes.
Has anyone succeeded in doing this? I would be really grateful for any suggestions.
Best regards,
Vardha.
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Hello all,
I am new user to the Exciting code. So far I have really enjoyed using the code and I thank the authors for the code.
I am trying to compute the workfunction of a metal slab and am not sure how I can do it using this code. Since it's a periodic code, I tried using the vaccum - fermi energy method. But I wasn't successful in getting a good plane-averaged Hartree potential. I am more used to pseudopotential codes and that's the way I would compute the work-function in those codes.
Has anyone succeeded in doing this? I would be really grateful for any suggestions.
Best regards,
Vardha.