The same question. Anyone else knows what's the sequence of the d-orbitals (dxy,dxz,dyz,dx2-y2,dz2) are assigned in results from projwfc.x
On 9/5/06, aarti srirangarajan <ssaarti at jncasr.ac.in> wrote: > > Dear PWSCF developers, > > Could anyone please explain the output of the program projwfc.x? > My question is how the values for m = 1,2,3,4,5 are assigned ( m should be > -2 to +2) ? And in the output files for the PDOS for d-orbitals, what is > the sequence of the data listed in it.(in terms of dxy,dxz,dyz etc.). > Thanking you in anticipation > Aarti > TSU,JNCASR > -------------- next part -------------- An HTML attachment was scrubbed... URL: /pipermail/attachments/20061125/16164c92/attachment.htm
