[Wien] Optical properties

Roberto Emilio Alonso alonso at venus.fisica.unlp.edu.ar
Wed Nov 24 15:49:03 CET 2004


Dear Okoye

This problem is avoided if you put eval=101 in *.in2 (see users-guide).

Best
R.E.Alonso



On Wed, 24 Nov 2004, Chukwuemeka Okoye wrote:

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> Dear wien users,
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>
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> I am calculating the optical conductivity of bcc iron  and found that the absorptive part is not always positive. This means that a plot of Re_sigma_xx   Re_sigma_yy  Re_sigma_zz  using  file fe.absorpup has a negative part between 2.7eV and about 14.0eV. I think this is strange. This is because the mathematical expression (per spin) for  Re_sigma_xx  etc. makes it impossible for it to be negative.
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> Thanks.
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> C M I Okoye
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>
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>
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> Chukwuemeka M I Okoye
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> Department of Physics and Astronomy,
>
> University of Nigeria,Nsukka,
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> Enugu State, Nigeria.
>
> +2348045257257
>
> +234 42 771611
>
>
>

-- 
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Dr. Roberto Emilio Alonso
Departamento de Fisica, Universidad Nacional de La Plata
Calle 49 y 115, CC 67, La Plata (CP 1900)
REPUBLICA ARGENTINA
e-mail: alonso at fisica.unlp.edu.ar / r_e_alonso at hotmail.com
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