How to output band structure

Posted on : November 18, 2004 (Thu) 06:51:54

by Sebastien Beysserie

Hello,
Is it possible to output the bandstructure as the energy versus momentum within the Brillouin zone? Is there a parameter that needs to be used or does the code needs to be modified?
Thank you,
Sebastien

Re:How to output band structure

Posted on : December 30, 2004 (Thu) 02:34:41

by gerhard

>Hello,
>Is it possible to output the bandstructure as the energy versus momentum within the Brillouin zone? Is there a parameter that needs to be used or does the code needs to be modified?
>Thank you,
>Sebastien

Re:How to output band structure

Posted on : December 30, 2004 (Thu) 02:38:01

by gerhard

You have to run the program with the spc switch.

At the end of the inputfile you need to give the set of k-vectors
where to calculate the spectral function.

The output is the Blch spectral function, that is, in short,
something like a band structure for disordered systems.

Ciao Gerhard

>Hello,
>Is it possible to output the bandstructure as the energy versus momentum within the Brillouin zone? Is there a parameter that needs to be used or does the code needs to be modified?
>Thank you,
>Sebastien

Re:How to output band structure

Posted on : May 23, 2006 (Tue) 10:28:06

by Koji Kobashi

>Hello,
>Is it possible to output the bandstructure as the energy versus momentum within the Brillouin zone? Is there a parameter that needs to be used or does the code needs to be modified?
>Thank you,
>Sebastien

I also have a problem with the calculation of bandstructure. Just swich from go to spc did not work even though
the initial calculations have been done and the k-parameters are given in the input file.
Can anyone give a detailed procedure for the calculation?
Thanks,
KK

Re^2:How to output band structure

Posted on : May 27, 2006 (Sat) 01:26:46

by Gerhard Fecher

Check if nk3x is big enough otherwise you do not have enough workspace for the k vectors.

Check also that the format of the k-vectors is ok, and try to start with a few only.

Ciao
Gerhard

>>Hello,
>>Is it possible to output the bandstructure as the energy versus momentum within the Brillouin zone? Is there a parameter that needs to be used or does the code needs to be modified?
>>Thank you,
>>Sebastien
>
>I also have a problem with the calculation of bandstructure. Just swich from go to spc did not work even though
>the initial calculations have been done and the k-parameters are given in the input file.
>Can anyone give a detailed procedure for the calculation?
>Thanks,
>KK