nsmear, ismear and default ph linewidth output

[NFH]

Dear all,


I want to vary the smearing \eta for different interpolated k-meshes in the phonon self energy (Eq1 in https://docs.epw-code.org/doc/Electron- ... pling.html) to check for convergence.

I guess nsmear, delta_smear are the correct flags to use.

If I do so, say nsmear=5; I'll get values for the related SE quantities for different smearing ismear in the std output:

Code: Select all

 ismear =     1 iq =       1 coord.:   0.00000  0.00000  0.00000 wt:   1.00000 Temp:  300.000K
     -------------------------------------------------------------------
     lambda___(   1 )=       0.000000   gamma___= ...
     
      ismear =     2 iq =       1 coord.:   0.00000  0.00000  0.00000 wt:   1.00000 Temp:  300.000K
     -------------------------------------------------------------------
     lambda___(   1 )=       0.000000   gamma___= ...

as a fileoutput linewidth.phself.300.000K I only get the values for ismear=1. I tried to set verbosity=3, which is the proposed output mode or alpha linewidth calculations.

1) I know, I can parse it out of the std output, but maybe I missed a flag to have the files for all smearings?

2) Also are the smearings determined as ismear*delta_smear?

thanks a lot for your input,
Nicki

MLU/MPI Halle, Germany