ABINIT Discussion Forums

Dear all, In the G0W0 calculation for Europium oxide, from the version upper to 6.4 (including the 6.9) of Abinit I obtain a systematic segmentation fault at the level of the sigma calculation in the PAW case. Indeed I can read in the log file : Calculating <nk|Sigma_x|nk> at k= 0.000 0.000 0.000 ba...

Hello Xenophon I am testing this PAW atomic data for Eu metallic bulk and for EuO. The test of Europium PAW atomic data within Abinit calculation give up to now good results for the ground state. However for what concerns GW calculation, it seems suffer from the same problem than Barium when couplin...

Hello Fabien I hope you are well This is my input file Bruno Bertrand ******** chkexit 1 ndtset 1 # 4 dataset jdtset 2 # Only one run with the generic variables and those with index 'j' # --------------------------------------------- #| Dataset 1: Calculation of the density file | # ----------------...

Hello to the Abinit community I would like to mention a possible bug in the recent version of abinit, that is 6.1.0 and 6.1.1 During the generation of a KSS file (kssform 3) with PAW atomic dataset, the job is suddenly interrupted and I read in the log file the following message : fxphas : BUG - The...