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There are couple of optionoptions:

  1. Bader analysis
  2. Charge density difference (plot in vesta is easy). Take CHGCAR(A+B) and subtract CHGCAR(A) and CHGCAR(B). It can be easily done in vesta >edit> volumetric data
  3. Mulken population analysis (use chgmol programme)

There are couple of option

  1. Bader analysis
  2. Charge density difference (plot in vesta is easy). Take CHGCAR(A+B) and subtract CHGCAR(A) and CHGCAR(B). It can be easily done in vesta >edit> volumetric data
  3. Mulken population analysis (use chgmol programme)

There are couple of options:

  1. Bader analysis
  2. Charge density difference (plot in vesta is easy). Take CHGCAR(A+B) and subtract CHGCAR(A) and CHGCAR(B). It can be easily done in vesta >edit> volumetric data
  3. Mulken population analysis (use chgmol programme)
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Pranav kumar
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There are couple of option

  1. Bader analysis
  2. Charge density difference (plot in vesta is easy). Take CHGCAR(A+B) and subtract CHGCAR(A) and CHGCAR(B). It can be easily done in vesta >edit> volumetric data
  3. Mulken population analysis (use chgmol programme)