[Wien] About MAE

[Peter Blaha]

You have to test it.

Calculate the MAE with some parameters.
Change them (mainly EMAX, RKMAX, k-points),
calculate MAE again and keep going until MAE is converged (does not
change anymore).

Am 18.05.2010 00:41, schrieb Hui Wang:
> Dear wien2k user:
> I sent a eamil last week, see as follows:
> ================
> I am calculating MAE of magnetic system, I heard someone said big Emax 
> can get a relative more accurate MAE, I have no idea whether this true 
> or not ?
> Second, some other parameters such nband, Gmax, MAX L, V-NMT , do they 
> have some effects on MAE ?
> I know to get an accurate MAE is a very hard job, please give me some 
> hint about how to get a relative more accurate MAE, thanks:)
> ================
> I know it hard to get MAE, but wien2k master are experts, you know much 
> more than me on how to get a relative reasonable MAE, any suggestions 
> will be greatly appreciated:)
> 
> yours sincerely:
> 
> Hui
> 
> 
> 
> 
> 
> 
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> 
> 
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-- 
Peter Blaha
Inst.Materialchemie, TU Wien
Getreidemarkt 9
A-1060 Vienna
Austria