Plotting the magnetic moments with py4vasp

[alexander_duong]

Hello,

So I have done a run with ISPIN = 2, the MAGMOM tag, and LORBIT = 11, and at the end of the output in OUTCAR, there is a table ("magnetization (x)") of the magnetic moments of each ion. However, when I try to visualize the magnetic moments using py4vasp with mycalc.magnetism.plot(), it returns a NoData error. Why is that?

Thanks!

[martin.schlipf]

Can you attach the vaspout.h5 file, so I can inspect what is going on?

[alexander_duong]

I just checked and my vaspout.h5 file is very large (~27 MB). When I compress it, it is still >20 MB. Is there another way for me to share it (since the maximum attachment size is only 8 MB)? Or, is there a way for me to further compress it?

[martin.schlipf]

Can you try to reproduce the problem with a smaller system? If you take fcc Ni; do you also not see magnetic moments?

[alexander_duong]

I will try to do that when I am able to. In the meantime, would you like me to provide the input files that I used?

[martin.schlipf]

How expensive is it to run the calculation? If you need to run the calculation on a HPC machine then I will not be able to reproduce it locally. When the calculation is quick to run, I can reproduce the data here. But the test of fcc Ni is very helpful for me because that can tell me whether the likely issue is a problem with the installation or a bug in the code.