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Questions related from Tahmineh Khademi
In 2020, an article was published about the implementation of the HSE06 in SIESTA. But there is no information about how it will be implemented.
06 November 2022 6,005 1 View
I am doing optical calculation for an quasi 2D perovskite with 188 atoms using SIESTA. I previously optimize the atom positions and later optimize the cell parameters too. The calculations of PDOS...
06 November 2021 6,915 0 View
Why in the computational part of 2D perovskite, k points are not related to dimensions? (in 2D (PEA)2GeI4 layered perovskite, The Brillouin zone was sampled with 2×2×2 Monkhorst-Pack grid for the...
29 October 2021 6,726 1 View
