[Wien] SECLR errors (was "about compile)

[Peter Blaha]

> After that first one on the ninth iteration, it has started happening all
> the time ie every iteration

After what ?

I thought it is working in a new directory,.... ?

I think I explained before: once you have such a bad density, you cannot
recover by "clean_lapw" and another run_lapw. You must generate a valid
density again. Either try it with the density of the 8th iteration (this
is case.clmsum_old); or you must generate a new density  using dstart.



                                      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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