ABINIT Discussion Forums

I believe both these questions should be approached at the stage of making the pseudopotentials. For example, using the fhipp code to make TM pseudopotentials, you can control which channels are included and at what reference energies, and also plot the various components. The recently developed AP...

Dear all, I have two questions relating to the Kleinman-Bylander projectors that ABINIT calculates from the pseudopotentials it is given: a) Is there an easy way of getting the code to output the radial part for each l for plotting? b) Is it possible to change the values of the KB energies ekb that ...

Hello, I am interested in performing some calculations on bulk gold using the van der Waals vdW-DF functionals. As far as I can tell these are not yet included in the current distribution, as setting vdw_xc=1,2 in my input parameters does not affect the calculation at all. Am I missing something abo...