[Wien] help for volume optimization for spin polarization cases

[Stefaan Cottenier]

> I got trouble every time when I optimize the volume
> for spin polarization cases. I am using WIEN2k-04. I
> follow the steps of optimizing volume, set -20, -15,
> -10, -5, 0, 5, 10, 15, 20. uncomment and replace the
> "x dstart" in the optimize.job by "x dstart -up" and
> "x dstart -dn".

If you really want to restart for every case with the atomic densities 
(which is probably a waste of time, try to omit all dstart commands in 
optimize.job), then you need also the 'x dstart' (as well as the -up and 
-dn).

  replace the "run_lapw -ec 0.0001" by
> "runsp_lapw -cc 0.00001". But it always stops after
> first SCF with a "mixer error".

If dstart was not the problem, try to run one of your volumes outside 
optimize.job. Does it run then?

Stefaan