column entries in *.phdos_proj file

[jmgonza6]

Hello EPW,

As the title reads, what are the columns in the phdos and phdos_proj files? For example, I am working with a BCC CsCl type structure. When I run epw, the *.phdos file has 11 columns, all of which produce essentially the same curves, just the amplitudes being slightly different. In the *.phdos_proj file, there are 8 columns. The first is frequency and second column is total phonon DOS, and the remaining 6 columns I assume are atom resolved quantities, but what are they in respect to? I take it there are 3 projections for atom 1 and 3 projections for atom 2. The reason for asking is that I want to plot the eliashberg function along with phonon DOS to see which atomic species contribute to the spectral function. Thank you in advance for your help.

joe

[carla.verdi]

Dear Joe,

I checked the content of those files by looking into the routine eliashberg_setup.f90:
the .phdos file has different columns corresponding to different smearing values for calculating the phonon dos;
the .phdos_proj has the total ph dos (corresponding to the first smearing value) and the ph dos of each mode. You don't have specific information on which modes correspond to which atomic species, you need to carry out a separate analysis for that.

Best,
Carla