The save2vesta function borrows the CHGCAR format to visualize the wave function. Values in CHGCAR are multiplied with the cell volume V but save2vesta doesn't follow this rule, and may result in extremely low charge density value in the output file.
The
save2vesta
function borrows the CHGCAR format to visualize the wave function. Values in CHGCAR are multiplied with the cell volume V butsave2vesta
doesn't follow this rule, and may result in extremely low charge density value in the output file.https://github.com/QijingZheng/VaspBandUnfolding/blob/03067e52a31cbbafe4d5b23e5480eb63513200e1/vaspwfc.py#L14-L56
I think an operation
psi *= pos.cell.volume
can solve this issue.