[xcrysden] Fwd: Fermi surface question

Tone Kokalj tone.kokalj at ijs.si
Wed Jul 10 13:27:52 CEST 2013


On Thu, 2013-06-27 at 11:46 +0800, Sidiq Khidzir wrote:
> 
> Hi,
> 
> 
> I'm trying to plot the Fermi surface but I can't seem to be able to do
> so.  I have used ABINIT to obtain the bxsf file.  I've attached the
> bxsf file with this email. 

Of course you cannot see it. The two bands you provided in your BXSF
file are well below the Fermi energy (this is why the band-widths plot
is provided prior to FS visualization window,i.e., to realize which
bands cross the Fermi energy). But if you change the isovalue to
something like -0.727, you will see some surfaces (but they ain't FS).

Regards,

-- 
Anton Kokalj
J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia 
(tel: +386-1-477-3523 // fax:+386-1-477-3822)

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