Yambo Community Forum

Hi, all
After running ABINIT I obtain the KSS file. How does yambo read this KSS file? I want to extract the wavefunction
from KSS file for each energy level. Which file (subroutine) in the yambo package reads the input data?
When I finish the GW calculation how the yambo output the wavefunction? Can I also extract the wave function of GW results for each GW energy level.

Zhifan Chen
Clark Atlanta University
USA

Dear Zhifan,
the KSS file are converted in yambo database using the a2y (abinit2yambo) interface.
Compile it typing make interfaces. You can find here the documentation for this interface.

When I finish the GW calculation how the yambo output the wavefunction? Can I also extract the wave function of GW results for each GW energy level.

Yambo calculate GW quasi particle energies using the GoWo approximation, so you do not have access to the GW wavefunction.
In order to have GW wavefunctions you need to solve the quasiparticle equation self-consistently, which is a much heavier task.
Even if Yambo can do that, unfortunately this part is not yet is the present GPL version. Hopefully it will be released soon.

Cheers,

Daniele

Dr. Varsano:
Thank you very much. I will study the interfaces/a2y/a2y_wf.F . This file should read the KSS file.

Zhifan Chen
Clark Atlanta University
USA