Re: [Pw_forum] Re^2: Band structure projected on atomic orbitals

Dear Guido, Thank you very much for bringing me exactly what I am looking for. Previously looking at input description of projwfc.x I was hopeless then. I am happy that you shared with me one of your work (Fig.S2). Definitely, I will check out Examples/PP/example02. Thanks again. On Mon, Jan

Re: [Pw_forum] Re^2: Band structure projected on atomic orbitals

Dear KM Mohsin, kresolveddos in projwfc.x could indeed be what you are looking for, and there's an example for that in the repository (Examples/PP/example02). The output is most easily plotted as a color map of DOS(k,E), and different pdos files can be summed by sumpdos.x. If you prefer to

Re: [Pw_forum] Re^2: Band structure projected on atomic orbitals

Dear KM Mohsin, Could this be the kind of analysis obtained with the keyword 'kresolveddos' in 'projwfc.x'? At least this is what I understood in the Figure that you cited (I once implemented this kind of option in another code and obtained plots like this). Greetings from Sunny

[Pw_forum] Re^2: Band structure projected on atomic orbitals

Dr. Nicola and Abu Raihan, Thank you very much for your suggestions. For others summarizing, I will try QE+wannier90 to get "Oribtal projected band structure". Thanks again. Date: Fri, 20 Jan 2017 19:24:55 -0800 From: Mohammad Abu Raihan Miah Subject: Re: [Pw_forum] Band