[BUG] virials issue in vasprun.xml

Question

HsuQuinn opened this issue a year ago · 3 comments

Summary
With similar issue of #212:

data["virials"][ii] *= v_pref * vol
IndexError: index 0 is out of bounds for axis 0 with size 0

Here is INCAR and vasp.xml.
file.zip

Answer 1 · 2023-09-08T02:04:05.000Z

By your INCAR the stress is not calculated. plz assign ISIF >= 2

Answer 2 · 2023-09-08T02:12:05.000Z

ok, thanks

Answer 3 · 2023-11-05T17:56:46.000Z

Since this issue is duplicate of #212, I am going to close the issue and track the problem in that issue.