column entries in *.phdos_proj file
Posted: Tue Jun 13, 2017 2:39 pm
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
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