Re: [QE-users] f-orbital order in projwfc.x

2020-09-21 Thread Paolo Giannozzi
On Mon, Sep 21, 2020 at 2:40 PM Soumyadeep wrote: In projwfc.x input description order of p,d orbitals are given > (https://www.quantum-espresso.org/Doc/INPUT_PROJWFC.html) Also those for f (and for any l>3) are given: > > Order of m-components for each l in the output: > > 1,

[QE-users] f-orbital order in projwfc.x

2020-09-21 Thread Soumyadeep
Dear All, In projwfc.x input description order of p,d orbitals are given (https://www.quantum-espresso.org/Doc/INPUT_PROJWFC.html). But what is the orbital order in case of f-orbitals? I need this information for orbital projected band structure calculation. with many thanks and