[Wien] Optical properties

[Roberto Emilio Alonso]

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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> 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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> Chukwuemeka M I Okoye
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> Department of Physics and Astronomy,
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> University of Nigeria,Nsukka,
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> Enugu State, Nigeria.
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> +2348045257257
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> +234 42 771611
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>
>

-- 
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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
Voice: (54-221) 4247201 / 4246062 / 4230122 ext. 273
Fax: (54-221) 4252006
Part.: (54-221) 424-1400
Cell: (54-221) 15-501-1645
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