ABINIT Discussion Forums

Hi All, I was just wondering isthere's an update regarding this topic? I'm planning to do a simple RPA with/without local field effects but with intraband term included. So far, the forums don't really have any other answer except this one. I'm using a cluster so it's a bit tricky for me to modify t...

Dear All, I'm currently doing BSE calculation with bs_coulom_term = 0 (RPA), so I've set up the gamma_WFK and shifted_WFK file as recommended by the tutorial and changed just that input variable. My calculation stopped by an error --- !ERROR src_file: bethe_salpeter.F90 src_line: 386 mpi_rank: 3 mes...

Hello everyone, I'm currently trying to find the EELS and Dielectric function of La2CuO4 (LCO). The input file is below: ndtset 3 autoparal 1 #paral_kgb 0 # Structural Parameters ntypat 3 znucl 57 29 8 natom 14 typat 1 1 1 1 2 2 3 3 3 3 3 3 3 3 acell 3*3.808 Angstrom chkprim 0 rprim 1.0 0.000 0.000 ...