ABINIT Discussion Forums

Dear admin of AbInit, I have one more question, again, my GS calculation is only using irreducible zone, then; the response function using the entire B. zone, all this with the specific Qwavectors. everything looks good, but, when I try to calculate for exemple 4x4x4 qmesh, calculating the perturbat...

Dear admin. I used only ngkpt 1 in my GS file, then perform RF+q with kptoptx 3, rfidir 111 (and explicit perturbation), rfatpol, prepgkk, etc.. I know some parts of the code for "telphon" still in progress.in that way I'm doing convergence test necessary to see the approach. cmparing as p...

Dear proffesor Matthieu,

Thank you very much for your response.
I follow the changes as you told me and I have no problem
and also included more high-symmetry points and ngkpt 1 in GS,
indeed following instructions given in the tutorial 6v

again thank you very much

ciao José

Hello dear AbInit admin,, Im a new user of the wonderful abinit code. Lately I tried to carry out calculations of electron-phonon calculations thus, response function. I followed exactly the respective tutorials and I was able successfully calculate for two cubic cells/ FCC and BCC. Then when I try ...