I was reading the tutorial for electron phonon coupling in Yambo code (https://www.yambo-code.eu/wiki/index.php/Electron_Phonon_Coupling). This is very well prepared. However, I have a question regarding the generation of Q-points list. I guess the purpose of making the list of q-points for phonon calculation is to generate a uniform q grid. However, if I use nq1=4, nq4=4, nq3=4, and ldisp = .true., qplot = .false., I may get uniform q-grid as well. I am wondering why we should go through this articulate process to get a q-list for phonon calculation?
Thanks.
Hi Elena,
I was reading the tutorial for electron phonon coupling in Yambo code (https://www.yambo-code.eu/wiki/index.php/Electron_Phonon_Coupling). This is very well prepared. However, I have a question regarding the generation of Q-points list. I guess the purpose of making the list of q-points for phonon calculation is to generate a uniform q grid. However, if I use nq1=4, nq4=4, nq3=4, and ldisp = .true., qplot = .false., I may get uniform q-grid as well. I am wondering why we should go through this articulate process to get a q-list for phonon calculation?
Thanks.
Sorry for my late reply, the answer is very quick, in Yambo there is the convention of setting k’=k-q instead of k’=k+q.