Re: [SIESTA-L] Stars in the output file

hi, DM.numberpulay decrease, DM.mixingweight decrease 2016-12-02 16:23 GMT+04:00 Nick Papior : > It means that the number of digits is too large, so it can't be printed. > As a rule of thumb, if this happens you are so far from the minimum that > self-consistency will

Re: [SIESTA-L] Stars in the output file

It means that the number of digits is too large, so it can't be printed. As a rule of thumb, if this happens you are so far from the minimum that self-consistency will "never" happen. You need to change settings, mixing parameters etc. See manual for details on controlling the convergence.

[SIESTA-L] Stars in the output file

Hi. There are stars in ny out file along dDmax and Ef columns. Is that mean these quantities weren't calculated or digits in a number too much? scat.out Description: Binary data