[Pw_forum] example05

Eyvaz Isaev eyvaz_isaev at yahoo.com
Wed Mar 9 17:42:32 CET 2005


 
> -6.0 10  <-------------------------------  ?????
Starting (E_min) and end point (E_max) for band
structure mapping. Look at your bands file for these
energies, at least, for E_min. E_max should be larger
than the Fermi level (see also below). 
 
> 6.255 <-------------------------------------??????
This is the Fermi level or the last filled band for
semiconductors and insulators. Look at E(4) for Si in
sibands.dat.

> 1.0 6.255 <-----------------------------------

The first number means that  energy labels (Y-axis)
will be marked in 1eV. The second one is a referency
energy with respect to which tics are marked. I
suggest it always should be the same as the Fermi
level.

Hope it helps.

Bests,
Eyvaz.
 


	
		
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