[Wien] System Error at Phase 20

[Peter Blaha]

> After finishing with an XSPEC calculation, I went back to the initialization
> stage and attempt to run another calculation with an increased k-mesh value.

NEVER (almost never) run an initialization again. There is no need for this 
(unless you change the symmetry of your case, but this should be done in a
fresh directory anyway).

In your case, all you should do is run    x kgen
and then continue with another scf cycle (after "save_lapw" !!!!)
In this way you use the previous scf density (clmsum) and will need only
few iteration (3 ?) to reach scf again.
If you rerun dstart, you "destroy" the scf density and scf-convergence
will take many iterations again.  USELESS !!!   

> I did not start at the beginning of initialization but proceeded straight to
> "x kgen" and follow by "dstart". All was going well until I attempt to save
> the case.outputd during phase 20:


> 
>  
> 
> View case.outputd - when attempt to save, it gives error page: 
> 
> System Error
> 
> Couldn't write to /.
> 

Most likely you have change the directory to ./ ?

Otherwise I cannot imagine such an error.

                                      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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