[SIESTA-L] Very slow convergence of SCF cycle

Dear all, we are studying nanowires and encounter a very slow convergence in the SCF cycles, so that in fact, we can not converge the cycles to the criterium we have fixed. We started with DM.MixingWeight = 0.10 and decreased it progressively down to 0.005 but without success. Increasing

[SIESTA-L] W pseudopotential

Hi siesta users; Could anybody please provide me optimized pseudopotentials and their PAO basis for W? Thanks in advanced Arun -- PhD Student JNCASR, Bangalore-560064 India

[SIESTA-L] siesta download

Hi We have sent a signed hard copy of the licence to the appropriate address mentioned on this site more than a month ago. However, we have had no response whatsoever. How long does it take to get a username and password for the download. My work does depend alot on this download coming through. A