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Bug in xml.F

Posted: Mon Aug 21, 2017 12:14 am
by 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

Re: Bug in xml.F

Posted: Tue Sep 26, 2017 12:39 pm
by admin
Thank you. One if-then splitting allowed production of the incomplete vasprun.xml.

Re: Bug in xml.F

Posted: Tue Feb 25, 2025 2:03 pm
by 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,


Re: Bug in xml.F

Posted: Wed Feb 26, 2025 10:32 am
by 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.