Dear all,

 

I read that if we are trying to calculate the band structure, it is better to 
use {tpiba_b} in ATOMIC POSITIONS rather than {crystal}. Is the only difference 
related to the points that will be plotted at the end  because one is wrt to 
cartesian and the other relative to crystallographic axes?

 

 

 

Regards 
                                          
_________________________________________________________________
Tell us your greatest, weirdest and funniest Hotmail stories
http://clk.atdmt.com/UKM/go/195013117/direct/01/
-------------- next part --------------
An HTML attachment was scrubbed...
URL: 
http://www.democritos.it/pipermail/pw_forum/attachments/20100305/2e3ad1db/attachment.htm
 

Reply via email to