Doping per Unit-Cell

Hi Alex,

The amset code takes doping as carrier-concentration/cm3. However, I want to plot it as doping/unit-cell. For that, I wanted to know if the calculation is performed for primitive unit-cell or conventional unit-cell. The structure information in log file suggests the conventional unit-cell.

Hi Zeeshan,

Sorry for the delay getting back to you. The calculation is done for the unit cell in the vasprun.xml. The symmetry information is printed but the actual calculation is performed on whatever you give it.

Thanks once again Alex.

I was thinking the same, just wanted to be assured.