Dear everyone,

I follow the abinit-DMFT tutorial, calculated the spectral function of SrVO3, however, it’s different from the tutorial’s result, could everyone can help me ?

Best,

Chao

Dear everyone,

I follow the abinit-DMFT tutorial, calculated the spectral function of SrVO3, however, it’s different from the tutorial’s result, could everyone can help me ?

Best,

Chao

I’m sorry it’s my fault, I forgot change the unit form Ha to eV.

Then I want know how to change the unit in the xmgrace ?

Best

chao

Dear Chao,

I think you are asking how to rescale the values of your x data series by a multiplication factor. In your case, in order to convert Hartree to eV you should multiply the x data by 27.2114 since 1 Hartree is 27.2114 eV.

In the xmgrace GUI menu click `Data > Transformations > Evaluate Expression`

**Method 1: Modifying the original set**

In both the “Source” and “Destination” panes select the same set you want to convert so it is highlighted.

In the Formula box type `X = X*27.2114`

then click Apply.

**Method 2: Creating a new set first**

On either the “Source” or “Destination” pane right-click on the existing set and `Duplicate`

it.

Now select the original set on the left, and the new set on the right.

In the Formula box type `X = X* 27.2114`

then click Apply.

You can now select either the original or transformed set and hide the other one.

**Finally…**

In both Methods, now you can set your x axis label to display the updated units.

Best,

Maryam

Dear Maryam,

Thank you for your reply. It worked and the values of X data series are rescaled.

Best,

Chao