[Wien] the difference of the total energy is about 10 eV using wien16.1 and wien17.1

[Lyudmila Dobysheva]

25.04.2018 20:05, Kefeng wang wrote:
> the FM+U calculations for CoAs. It turns out that the difference of 
> the total energy is about 10 eV.
...
> However,  the difference of the total energy of theAFM+U calculations 
> for CoAs Wien16.1 and  Wien17.1 is almost zero.

A bit unclear...
Nevertheless, the total energy is a sum of a few components. Search the 
last iteration of the two scf files, and compare one by one the 
components, which of them gives the difference.
Maybe do this for both FM and AFM pairs, the difference should be clear 
and should show the place where to seek further.

Best wishes,
Lyudmila Dobysheva
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