ABINIT Discussion Forums

Dear Abinit users, I am doing calculations on big systems, so parallel calculations should be employed. In tutorial I found several parameters related to the parallelization. If I don't care about the efficiency, I could just set autoparal=1. However, with paral_kgb=1 and autoparal=0, I could divide...

To whom it may concern, I am using abinit to do cRPA calculation to determine U for DMFT. In the turial, I noticed that the wannier orbitals should be defined with " ucrpa_bands3 21 25", which means the band information between 21th and 25th band are considered to construct wannier orbital...