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Questions related from Nawzad A. Abdulkareem
Hello everybody I am working with QuantumESPRESSO on a cluster HPC, I am trying to do optimization calculation of a system of 40 atoms with k-mesh 12 12 12, I am running 5 nodes, each node has 24...
13 October 2023 8,828 0 View
Hello everyone I am trying to calculate band gap energy of cubic perovskite material, I am HSE06 hybrid function in CASTEP module in material studio installed on 64 Gb RAM but it seems that the...
29 April 2023 3,969 0 View
I know organic-inorganic and all-inorganic perovskites are unstable, the first one is due to reaction organic cation with the moisture, and inorganic perovskites are "electrochemically " are not...
02 June 2019 2,595 2 View
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09 October 2018 8,661 3 View
Hello everybody I am trying to calculate the surface energy of (001) cubic CsSnCl3 perovskite, I have read a nice article titled (Comparative First-Principles Calculations of SrTiO3, BaTiO3,...
01 January 1970 2,348 2 View
