Yambo Community Forum

Dear Altruists

I am new to Yambo as well as Quantum Espresso. I want to calculate the Auger recombination coefficient of GaAs materials. I am familiar with the input keywords related to kpoints for 'scf' calculations. The kpoints of my 'scf' calculation is 3*3*3 which generates 27 IBZ kpoints. But to calculate the Auger recombination coefficient I need kpoints file in the format of the attached file (kpoints.txt). I found that Yambo post processing (ypp) tool can write k-point list in a different format but I am familiar with the exact command to write the kpoints. Can you please suggest to me how to obtain the kpoints file in the attached format or explanation of each line of the attached file (kpoints.txt)?

Thank you very much for your kind consideration and time.

Sincerely
Arindam Sannyal

Dear Arindam,
you can generate a ypp input file by typing:
next, you can choose the unit of the k points to be listed:
rlu--> reciprocal lattice units
cc--> Cartesian coordinate

from the list you should be able to generate the file you need.

Best,
Daniele

Dear Daniele

Thank you very much for your kind information.

Best
Arindam