[Wien] convergence failed!

[Peter Blaha]

> Dear everyone:
>     I have changed "set iter" and "set riter" in the runsp_lapw from 20 to 60, but the SCF still stops after running 20 cycles without reaching the  convergence criterion requested.would you mind telling me what i should to resolve the problem? Thanks in advance!

Don't change the code, unless you know what you are doing. Instead, read
the manual or use:
run_lapw -h

it will tell you that you can request more iterations using eg.
run_lapw -i 60

Regards
                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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