Format of the kpoints file
Posted: Tue Dec 27, 2022 7:47 am
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
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