[Wien] Lapw2 with large number of k-points

Chukwuemeka Okoye okoyecmi at yahoo.com
Tue Apr 27 14:59:32 CEST 2004


Dear WIEN users,
 
I am calculating the optical properties of some materials. I am using up to 10,000 k-points in the IBZ. I get the message 
"STOP FERMI - Error statement executed"
at  lapw2
On inspecting uplapw2.error, I found
"FERMI"  -  NUMBER OF K-POINTS  .GT. NKPT = 2000"
 
Please could you suggest how to get over this difficulty.
 
Thanks in advance
 
Emeka
 




Chukwuemeka M. I. Okoye,

Department of Physics and Astronomy,

University of Nigeria,Nsukka,

Enugu State,NIGERIA

234-042-771611

		
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