Momentum matrix elements for a given k point

exciting
1

If I understood the code correctly, the properties/momentummatrix call will run the calculation of momentum matrix elements over the k-grid set by the groundstate calculation. But I want to calculate these matrix elements for a specific k point that might not be in the automatic k-grid.

To do that, is it ok for me to set the calculation as shown below?

<groundstate 
        do="fromfile"
        ngridk="1 1 1"
        maxscl="1"
        vkloff="the k point I want, in lattice coords"
        outputlevel="high"
        xctype="GGA_PBE_SOL">
        
        <spin spinorb="false"/>
    </groundstate>

    <properties>
        <momentummatrix>
        </momentummatrix>
    </properties>

This will run one more SCF loop using the converged density, but for a single k point. It seems fine as a workaround, but it would be better if the momentummatrix entry could read a list of k-points like the bandstructure path, which would also allow to set do="skip" on the GS calculation.

2

Complementing the question: this routine momentummatrix calculates the matrix elements only between valence states, right? Is it possible to all matrix elements, including all core states? I’ve seen here in the forum discussions about this in the context of XAS and BSE, but for me it would be sufficient to get these matrix elements directly from the GS calculation.