[QE-users] charge is wrong: smearing is needed

[Mohamed Ahmed Abd-Elati]

Dear all
I am tried many times to do relax step for  GQDs structures using an
attached input file but I faced the error attached also here. I am used the
same input file for the same structure in case of oxygen passivation ( not
nitrogen ) and no errors appeared.
thanks
*Mohammed A. Abdelati*
*Assistant Lecturer*
Laser Applications in Metrology Photochemistry and Agriculture (LAMPA)
Department, National Institute of Laser Enhanced Sciences (NILES), Cairo
University, Giza, Egypt.
Mobile   +20 1009752922
Home    +201152605076
E-mail    ma1986ff at yahoo.com
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