[Wien] (no subject)

[Peter Blaha]

>     can I change k-point,but not run dstart ,and run SCF?
> because k-point cannot distribution balence

First:
save_lapw save_name_XXk       !!!! very important, otherwise you get divergence
x kgen
runlapw   (at least -i 1, when the fine k-mesh ist just for the DOS,
           otherwise until converged).

NEVER run dstart again, except when you change RMTs !!!!!!!!!!

                                      P.Blaha
--------------------------------------------------------------------------
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/
--------------------------------------------------------------------------