Bug in xml.F

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Bug in xml.F

Postby z9wang » Mon Aug 21, 2017 12:14 am

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.

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Re: Bug in xml.F

Postby admin » Tue Sep 26, 2017 12:39 pm

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