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Questions related from Keto Miara
could someone familiar with ASW PACKAGE assist me with a problem I'm facing with ASW CALCULATION? some issues occur when I try to do spin-polarized calculations for a given lattice parameter even...
24 March 2020 2,070 1 View
how can I know if an electronic band is localized or delocalized in spin polarized DOS and PDOS schemes?
22 April 2019 2,013 1 View
Is it possible to tell if valence or conduction band is half or fully occupied by DOS(Density Of States) plot only? does it have to do with the peaks intensity?
01 January 1970 829 2 View
good evening everyone, could you tell me what I should use to investigate magnetic properties of transition metal compounds, currently I use GGA PBE and PRC but my compound turns out non-magnetic...
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