The ABINIT Users Mailing List ( CLOSED )

[yshtogun@cas.usf.edu]

 Dear All, 
  I tried to calculate band structure of carbon nanotubes in external 
electric field (using barryopt 4). I meet problem with number ob bands:
  
initberry: ERROR -
  In a finite electric field calculation, nband must be equal
  to the number of valence bands.
 
 Does somebody know why for electric field calculation nband must be equal to 
the number of valence bands? Why does it work only for valence bands? Is this 
restriction for electric field? Can I calculate the band structure for all 
bands with electric field?

Thanks in advance for your help!

Yaroslav