Convert Ucfit result to JCPDS

Often you want to convert the Ucfit result, unconstrained direct fit for individual unit cell parameters, to JCPDS, constrained fit for axial ratios.

1. Go to the JCPDS tab and highlight the phase you want to make conversion to. Press the To output button.

2. Go to the Ucfit tab and highlight the phase you want to make conversion from. Press the To output button.

3. Go to the Output tab. You will find both JCPDS and Ucfit phases you just sent. For conversion, you need to find the axial ratio information in the Ucfit output window. You also need the axial ratio information in the JCPDS output window. There are two different axial ratios. You need to choose b0/a0 and c0/a0, instead of b/a and c/a.

4. To get tweak factors for these two axial ratios, you need to calculate (b/a)_from_Ucfit / (b0/a0). You do the same for c/a. Then you can type these numbers directly in the tweak boxes in the JCPDS tab.

5. In order to completely reproduce the Ucfit result in the JCPDS tweak, you also need to match the V in the JCPDS box and the V in the Ucfit box. This can be achieved by tweaking V0 in the JCPDS tab, for example.