[Wien] Using afminput for rutile MnF2

[Cormac McGuinness]

> Re: [Wien] Using afminput for rutile MnF2
> wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at] on behalf of Peter Blaha [pblaha at theochem.tuwien.ac.at]
> Sent: 	11 August 2011 12:26
> To: 	A Mailing list for WIEN2k users [wien at zeus.theochem.tuwien.ac.at]
>  	
> I suggest you stick to runsp.
>
> When the lattice changes, afminput will not work.
>
> If cpu time is really an issue (I doubt !) one could also find
> the "rules" from case.clmvalup/dn after the first scf-cycle.


Thanks for the reply Peter,
I had surmised that sticking to runsp was the simplest solution.
I regret that I probably spent more time trying to get afminput to
work in this instance than the spin polarised calculation actually
required even on my relatively slow desktop computer

-- 
Dr. Cormac McGuinness, Lecturer, School of Physics., Trinity College,
Dublin, Ireland.
Phone: +353 1 8963547    Fax: +353 1 6711759    Office: SNIAM 3.17