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Error in Fermi Energy - Ef cannot bracket

Posted: Wed Sep 14, 2016 4:30 pm
by jir520
Dear EPW users

I got the error " Ef cannot bracket" in my epw.out file for Aluminum. I was using nbndsub= 4 ,nbndskip= 0, proj(1) = 'f=0,0,0:l=-3' with default values for dis_win_max and dis_froz_max. However the epw2 and epw3 finished without errors.

I tried to solve this by some guessed values for dis_win_max and dis_froz_max. Also tried by random projections. But still it is the same.

I appreciate if some one can help me for this.

Thank you

Jayangani

Re: Error in Fermi Energy - Ef cannot bracket

Posted: Sat Sep 17, 2016 3:12 am
by Ruichun
I encounter the same question too?Can someone give some advices or comments?

Re: Error in Fermi Energy - Ef cannot bracket

Posted: Mon Sep 19, 2016 2:10 pm
by Ruichun
I set the efermi_read and fermi_energy in the epw.in file; the error disappear! I cannot tell why. Anyone can tell me is it appropriate to do this? :?:

Re: Error in Fermi Energy - Ef cannot bracket

Posted: Mon Sep 19, 2016 2:13 pm
by carla.verdi
Dear Ruichun

It is appropriate to do that as long as the wannierized band structure appears ok, it is advisable to always check that using "band_plot=.true."

Best
Carla