UT theoretical chemistry code forum

Thanks! One of my colleagues asked me for it. I have also suggested him to follow the update on this forum.

Hey Graeme,

Do we have DOS projection in Bader Volume for VASP 5.4? There was one for older versions of VASP?

Best
Liang

Hi Loc,

Same as the dimer.F, you can can comment off that line in bbm.F. That line is for printing the list of Atoms that are tagged to apply boost potential.

WRITE(IU6,'(A,9X,<NBAS>I5)') ' Bond-Boost: BALIST',BALIST(:)

Hi,

I guess you used ISPIN=2; thus these 7 columns in DOSCAR would be the following:

Energy-E_fermi s-DOS(up) s-DOS(down) p-DOS(up) p-DOS(dwn) d-DOS(up) d-DOS(dwn)

I hope these could answer your question.

Best