ABINIT Discussion Forums

Hi,

I am calculating the band structure of spin-polarized semiconductor molecule. So far I can generate the spin-up band structure by including the following:

nsppol 2 and occopt 1
in the tutorial tbase3_5.in code.

Anyone has a suggestion on how do I generate the spin-down band structure? I am not able to find any examples in the abinit-test directory.
And I noticed that in Matthieu Verstraete's thesis, figure 4.16, a plot of spin-up and spin-down band structures were shown.

Cheers, Kimky

Using nsspol 2 gives both the spin-up & spin-down bandstructures.
Look into the _EIG file. You will find the energy values for spin-up, followed by spin-down.

Thanks Spin1/2.

Kimky

Dear Kimky,

Could you mark the topic as "solved".

Thank you

Samuel.