[Wien] Hund's Exchange parameter (J)

[Wien2k User]

 Dear Prof. Tran and WIEN2k users;

I found in Anisimov's paper the following relation to calculate J
J=E3d'up'(n+0.5,n-0.5)- E3d'dn'(n+0.5,n-0.5)
but I think that the energy of the spin-up electrons is more stable
compared to that of Dn electrons and that's why I found a negative energy
(Do you think that this relationship is reversed?) or my reasoning is wrong
and I have to review my calculations?

Thank you in advance

2018-05-11 18:47 GMT+02:00 Wien2k User <wien2k.user at gmail.com>:

> Thank you very much
>
> 2018-05-11 16:09 GMT+02:00 Wien2k User <wien2k.user at gmail.com>:
>
>> Dear Prof. P. BLAHA and WIEN2k users;
>>
>> I want to estimate the effective value of Hubbard term  "Ueff=U-J"
>>
>> Can the Hund's Exchange parameter (J) be negative?
>>
>> Thank you very much.
>>
>
>
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