I’m trying to calculate the q resolved Eliashberg function on a grid of q-points in the BZ, which is a thing I’ve seen done in various papers with Wannier interpolation in QE+W90, but I was wondering if it is possible to do in Abinit with the new eph code.
I tried to follow the tutorial, from what I understand the q dependent Eliashberg function is stored in the A2F.nc file, but I’m having trouble extracting the data from this file. Usually I read NetCDF files with Matlab, but in this case I’m struggling with understanding the meaning of the quantities contained in the A2F.nc file. I would have expected to just find a vector containing the reduced coordinates of the q-points and another vector of the same size containing the values of alpha^2F in those points, but it doesn’t look like that to me. Can anybody give me some insight?
the file contains several different versions of a2F, but not q resolved. They are calculated on different q grids, with and without interpolation (qintp and qcoarse resp.)
Should be easy to add as an output option, but it’s not done afaik.
In the log/ouput files there are mode and q presentations of the lambda and line width values, for the original input q points. Might be a start for your analysis.
thanks for your reply. So, for example, if I take one version of a2F, it looks like the netcdf file contains these 3 arrays of data
could you help me understand what they are? I wasn’t able to find any documentation on the Abinit website about this.