[Pw_forum] Does PWSCF have a bug when optimizing the structure in electric field

xqhu@duke.edu Xiangqian.Hu at duke.edu
Fri Oct 12 17:39:31 CEST 2007

Dear users,

I just checked the PWSCF codes of 3.2.3. Only setlocal.f90 and v_of_rho.f90 
call add_efield. If you look at the codes carefully, you will see the 
add_efield is called only once! Obviously, when you optimze the structure in 
an electric field, the etot_efield is never updated! I guess something must 
be wrong. Good luck!


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