ABINIT Discussion Forums

Dear Abinit Users
Kindly suggest me how to find out the electron-phonon coupling strength after the anaddb run. We are getting many output files .From which output file I can get the electron-phonon coupling strength.

Dear Abinit users The provided tutorials for electronic thermal conductivity calculation are restricted only for metals. Kindly provide some tutorials for semi-metal also like 2D graphene. While calculating electronic TC for graphene specially during anaddb calculation I am getting confused how to c...

Hello ABINIT users I was trying to calculate the electron-phonon part of thermal conductivity of monolayer graphene with K-point grid (4 4 1) and I got 53.581 W/m-K at 300 K .Is this the correct result for graphene ?When I am taking dense K-point grid ,the TC value of graphene is decreasing .But in ...

Dear Mverstra Thanks a lot for your suggestion .It really works. I got the thermal conductivity output files for Cu ,Si bulk and monolayer graphene. But the strange thing is that I am getting same output thermal conductivity for these three materials.Kindly check these input files .I am getting the ...

Dear all I am trying to calculate the thermal conductivity of monolayer graphene following the tutorial. I got the solution for q-points.Now while running the anaddb code I am getting errors like this.--- !ERROR src_file: read_gkk.F90 src_line: 666 mpi_rank: 0 message: | gkk element 6 1 1 1 was not ...

I am trying to calculate the thermal conductivity of aluminium bulk following the tutorial.I got the output files teph_6.out_ep_WTH , teph_6.out_ep_RHO etc.. But I am getting confused how to read this output files.How to plot the graph.In the tutorial it is not mentioned properly how to extract the ...

I have some doubts.
How to choose this q-points for bulk or surface structure of several materials??

Dear all, I am using abinit 8.8.4 and I am following the tutorial on electron-phonon coupling.I got the ddb files and gkk files and merged them following the tutorial.But when I am doing the ANADDB calculation I am facing the following errors. src_file: read_gkk.F90 src_line: 666 mpi_rank: 0 message...