[Wien] About the magnetic moment of vanadium in vanadium sulphide

[Abderrahmane Reggad]

Thank you Gerhard for your advise

I read and I understand

What do you think if using the empirical parameters known give you
calculated values for band gap and magnetic moment ten times or more than
the experimental one.

Before using my value for alpha parameter, I used the alpha value equal to
0.25 which gives me a band gap equal to 1.6 eV for NiS which have an
experimental value equal to 0.eV.

If you want to know why I have used my value have a look to mu article in
the following link

http://www.sciencedirect.com/science/article/pii/S0921452617303915

I found that the empirical values (especially 0.25) are not suitable for 3d
transition metal sulphides.

Best regards
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