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 [email protected]
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