Hi, please i have question about band structure in elk code.
i want to define the nature of the material if it is a semimetallic or mettalic or even with negative band gap. so i need to know the contribution in the band structure (gamma 15 v and gamma 1c)
please can somebody tell me in which file, can i have this informations
If you would like to refer to this comment somewhere else in this project, copy and paste the following link:
You can plot a band structure with 'task=20'. Then look at the files BAND.OUT and BANDLINES.OUT. The Fermi energy is set to zero in the band structure plot.
Regards,
Kay.
If you would like to refer to this comment somewhere else in this project, copy and paste the following link:
Hi, please i have question about band structure in elk code.
i want to define the nature of the material if it is a semimetallic or mettalic or even with negative band gap. so i need to know the contribution in the band structure (gamma 15 v and gamma 1c)
please can somebody tell me in which file, can i have this informations
Hi,
You can plot a band structure with 'task=20'. Then look at the files BAND.OUT and BANDLINES.OUT. The Fermi energy is set to zero in the band structure plot.
Regards,
Kay.