[Wien] Error while running +/- 0.5e calculation

[Abed Reg]

Thank you Mr Gavin for your reply and especially for your interesting to my
questions.

I have fixed the error and there was a problem in the structure file. Now
every thing is ok but i didn't find the same results as in the paper of
Madsen and novak.

My results are as follows:

1/ First result

--- FER -----------
in  1 files:
NiO_+.50.scf::FER  : F E R M I - ENERGY(GAUSS-.M.)=   0.43229
--- 3dd001 -----------
in  1 files:
NiO_+.50.scf::3DD001: 3D*                 -0.007129869 Ry

2/ Second result

--- FER -----------
in  1 files:
NiO_+.50.scf::FER  : F E R M I - ENERGY(GAUSS-.M.)=   0.43229
--- 3d -----------
in  1 files:
NiO_+.50.scf::3D 001: 3D                  -0.027686778 Ry

3/ Third result

--- FER -----------
in  1 files:
NiO_+.5-0.scf::FER  : F E R M I - ENERGY(GAUSS-.M.)=   0.46699
--- 3dd001 -----------
in  1 files:
NiO_+.5-0.scf::3DD001: 3D*                 -0.332762453 Ry

4/ Fourth result

--- FER -----------
in  1 files:
NiO_+.5-0.scf::FER  : F E R M I - ENERGY(GAUSS-.M.)=   0.46699
--- 3d -----------
in  1 files:
NiO_+.5-0.scf::3D 001: 3D                  -0.333786554 Ry

When i have applied the equation i did'nt find the same result as in the paper

My result is U= 0.314 Ry

Then i think i have made mistake but i don't know where?

My best regards




-- 
Mr: A.Reggad
Laboratoire de Génie Physique
Université Ibn Khaldoun - Tiaret
Algerie
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