[QE-users] turbo Davidson/Lanczos program for a charge system

Ʈ 508682179 at qq.com
Fri Mar 12 07:03:20 CET 2021


Dear QE users,


I am trying to calculate absorption spectra using turbo Davidson/Lanczos program. But my system is not neutral  (tot_charge=!0). Is it feasible to run turbo_davidson/Lanczos.x for the charge system? What should I specify in the input file for both codes? It will be very helpful if you can give me some suggestions. 


Best,
Weijie Zhou






-------------------------------------
Weijie Zhou
PhD student
University of Leeds
UK   
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