[Wien] "rigid-band" model of version WIEN2K_06.3.

Joey Davis joeydavismail at yahoo.com
Tue May 9 04:57:58 CEST 2006


Dear WIEN2K users:
When I used "rigid-band" model to calculate PbTe's Fermi Energy 
changing with doping, I found a problem. I selected -8.0 Ry as 
ENERGY to separate core and valence states. After SCF cycles 
with spin orbit coupling, I changed NE in case.in2 from 36.0 
to 35.999, and run "x lapw2 -c -so", I found the Fermi Energy 
is not changed. If I set NE=36.001, the Fermi Energy become 
higher than the original one.
   How can I use "rigid-band" model to calculate the Fermi Energy of NE=35.999 ?
  
 My wien version is WIEN2k_06.3.
   
  Best Wishes!
Joey Davis


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