[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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