[Wien] optimization doku

[Jack London]

Dear Laurence

Thanks for your answer. 

I used Wien2k_04.6 version (not the newest one). so I
check the min_lapw script file and find there is no
that line to "cp .min_hess .minrestart". Do you means
in the old version, the code don't need .minrestart
file? Or should I do it by hand when change RKMAX? 


> I'm not sure I can answer you question. The
> philosphy to follow is:
> 1) .min_hess from a previous run is probably a good
> guess for the Hessian
> to use, so copy it to .minrestart (or use a recent
> min_lapw which will do
> this for you).
> 2) When you do a new run, case.finM & case.tmpM from
> an old run (with some
> different parameters, e.g. lattice constants) are
> not relevant so should
> be deleted.

Best regards

zhang


		
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