Kaptagay, G.; Mastrikov, Yu.; Kotomin, E.; Sandibaeva, N.; Kopenbaeva, A.; Baitasheva, G.
(The 6th International Conference on Nanomaterials and Advanced Energy Storage Systems. Institute of Batteries LLP, Nazarbayev University, and PI “National Laboratory Astana”., 2018-08-08)
Calculations were performed using the DFT method as implemented in the computer code
VASP 5.4[1]. Core electrons were substituted with the US potentials with the PAW method [2]. Exchange-correlation described by the PBE ...
Submission guide