Problems running VASP: crashes, internal errors, "wrong" results.
Moderators: Global Moderator, Moderator
-
tanay11
- Newbie
- Posts: 8
- Joined: Mon Oct 25, 2021 5:42 pm
#1
Post
by tanay11 » Wed Aug 05, 2026 3:30 pm
Hi,
I am trying to calculate the elastic tensor matrix for different phases of TaN. But I am facing this specific error for Ta4N5 phase only (it's the second time I am seeing this error), while runs for other phases are running fine. So I am wondering if this is a bug or if I am making some mistake in input files, as this is occurring only for "Ta4N5." The version of VASP I am using is 6.4.2 on Compute Canada.
I am attaching the input and error files.
Ta4N5.zip
Thanks
You do not have the required permissions to view the files attached to this post.
-
henrique_miranda
- Global Moderator
- Posts: 597
- Joined: Mon Nov 04, 2019 12:41 pm
-
Contact:
#2
Post
by henrique_miranda » Thu Aug 13, 2026 2:03 pm
I am sorry that you are facing this issue.
This is a bug in the code and we will work on a better solution for it.
Thank you for reporting it.
In the meantime you have a few possible workarounds:
- setting LKBLOWUP=.FALSE. in the INCAR file should fix this
- you can deactivate symmetries with ISYM=0