Fahmida Fakhera

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Questions related from Fahmida Fakhera

Orbital resolved MAE from the SOC matrix element?

Hi, Can anyone suggest the way to calculate orbital resolved magnetic anisotropy? We get spin-orbit matrix element from OUTCAR file, but calculating MAE involves some equations with integer matrix...

last month 1,170 0 View

Calculating Polarization in half-metallic system?

Hi, can anyone help me calculate polarization in a half-metallic system using VASP? According to the VASP Wiki, the Berry phase method only works well for insulators and semiconductors. So, if...

24 February 2025 5,388 4 View