[xcrysden] Visualizing the Fermi surface

[Igor Lukacevic]

Dear Anton,

thank you for the reply.

I've given the energy outputted by the bxsf file. Xcrysden, actually, 
recognized it itself. It is very close to the energy given in ABINIT output.

Aaaah, now I see it! Fermi level is just at the top of the 16th band, 
and not crossing any other band. That's why there is no Fermi surface. 
Thank You for helping me. And sorry for taking Your time with this issue.

Best regards,

Igor L.




Tone Kokalj wrote:
> On Wed, 2011-11-16 at 14:08 +0100, Igor Lukacevic wrote:
>   
>> Dear all,
>>
>> I'm trying to visualize the Fermi surface using the bxsf file created
>> by abinit. The file itself looks ok, but when I open it in xcrysden,
>> there is no surface for any selected band, only an empty BZ.
>>     
>
> Did you specify the correct Fermi energy?
>
> What does the band-widths plot show, which is displayed prior to
> Fermi-Surface viewer appears? Do the bands cross the Fermi energy?
>
> Regards, 
>   

-- 
Igor Lukacevic, PhD
Department of Physics
University J. J. Strossmayer
Trg Ljudevita Gaja 6
31000 Osijek
Croatia

tel. +385 31232713
fax. +385 31232701

e-mail: ilukacevic at fizika.unios.hr
web:    www.fizika.unios.hr/~ilukacevic

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