Bug in xml.F

[z9wang]

Dear VASP developers,

I find that the vasprun.xml generated in BSE calculation is incomplete, where "</modeling>" is missing at the end of this file.
I also notice that someone reported this issue before (https://cms.mpi.univie.ac.at/vasp-forum ... BSE#p18132) but got no response from the developers.

Maybe there is a bug in the subroutine STOP_XML in xml.F for BSE calculation?
I hope the VASP developers can fix this issue so that we can write a more general post-processing code for BSE analysis.

Thanks,
Evan

[admin]

Thank you. One if-then splitting allowed production of the incomplete vasprun.xml.

[MCV_IFPEN]

Hello,

I still have this problem with vasp6. Could you please give more information about the way we can correct the xml.F file so that we can avoid it?

Thank you.
Regards,

[ferenc_karsai]

This problem is fixed for some while now. Which VASP version are you using?
Can you please post your calculation where this problem occurs.