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