Hi, So, I am new at this. So, I am trying to reproduce the results of the following paper: doi: 10.1149/1.1856988 (J. K. Nørskova et al. ,Trends in the Exchange Current for Hydrogen Evolution) So, I got a decent result for Au. For the adsorption energy of hydrogen (at 0.25ML coverage) I got 0.20 whereas they got 0.21. Now, I tried again for Pt (at 0.25ML coverage) and I got -21.37. (It should be -0.33 according to the paper). So, I though it was the pseudo potential. I found two other pseudopotentials in internet and I got -0.47 and -0.51 respectively. So, I was wondering how can I get a pseudopotential that works? In the paper they used ultra-soft pseudopotentials, but I think it doesn't work on Siesta right?
Thanks, Miguel
