Querry about the calculation of U parameter (from wien mailing list)

[Wien] Calculation of Ueff

karima Physique Sun, 26 Mar 2017 17:09:46 -0700

Dear Wien2k users,

I used the method described by G. K. H. Madsen and P. Novak but I found two
different values of Ueff when I changed the number of K-point and RKmax

For K=1 Point and RKmax 5 i found Ueff=3.6 eV
but For K=100 Points and RKmax 8.5 i found Ueff=5.4 eV

Do I use one point only ? otherwise I want to know why I had this difference

Answers:
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• • Re: [Wien] Calculation of Ueff Fecher, Gerhard
  • • Re: [Wien] Calculation of Ueff karima Physique
    • Re: [Wien] Calculation of Ueff Laurence Marks
    • • Re: [Wien] Calculation of Ueff karima Physique
      • • Re: [Wien] Calculation of Ueff Fecher, Gerhard
        • • Re: [Wien] Calculation of Ueff karima Physique
          • • Re: [Wien] Calculation of Ueff Fecher, Gerhard
            • • Re: [Wien] Calculation of Ue... karima Physique
              • Re: [Wien] Calculation of Ue... Gavin Abo
              • Re: [Wien] Calculation of Ue... karima Physique

Reference:
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https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15588.html