thienbinh92

Error when running p4vasp on Unix system

3

Hello, I installed p4vasp on a unix system and it seemed to be fine. But when I started p4vasp by typing p4v, several errors showed. Could you please let me...

ValueError: Could not find fermi within low concentration

2

I tried GaAs example. I found that the experiment's intrinsic carrier concentration is just 1.7e6. But if I reduce the doping concentration to 1.7e6, the following error appears. Is the...

ProbabilityDensityAnalysis results in strange chargcar

6

Hello, I get a strange result from ProbabilityDensityAnalysis. Li and transition metal layers are not arranged like POSCAR/CONTCAR. Here is the code I use: `file = ["tem-1000/out_vasprun.xml"]` `analyzer = DiffusionAnalyzer.from_files(file,...