ABINIT Discussion Forums

Hi folks When I run my system (PAW, largish cell, 8 inequivalent k points) with paral_kgb -50 in the input file, the output I get shows invars1m : COMMENT - For dataset= 1 a possible choice for less than 50 processors is: nproc npkpt npspinor npband npfft bandpp weight 48 8 1 3 2 1 0.25 40 8 1 5 1 1...

Hi folks I would like to get the total electron density of my system. The density in the DEN file integrates to the number of valence electrons. If I'm using pre-rolled pseudopotentials (not PAW) downloaded from the abinit website, is there an easy way to get a density including the core electrons? ...