IVDW not included in the vasprun.xml
Moderators: Global Moderator, Moderator
-
andrew_rosen
- Newbie
- Posts: 7
- Joined: Tue Aug 31, 2021 6:32 pm
IVDW not included in the vasprun.xml
When the IVDW flag is set in the INCAR, it is not included in the list of INCAR flags in the vasprun.xml file.
-
merzuk.kaltak
- Administrator
- Posts: 282
- Joined: Mon Sep 24, 2018 9:39 am
Re: IVDW not included in the vasprun.xml
Dear Andrew,
thank you for your report.
Please let as know which vasp-version you use and upload a minimal example (INCAR, POSCAR, KPOINTS, POTCAR and vasprun.xml) with the missing IVDW in vasprun.xml.
thank you for your report.
Please let as know which vasp-version you use and upload a minimal example (INCAR, POSCAR, KPOINTS, POTCAR and vasprun.xml) with the missing IVDW in vasprun.xml.
-
andrew_rosen
- Newbie
- Posts: 7
- Joined: Tue Aug 31, 2021 6:32 pm
Re: IVDW not included in the vasprun.xml
Hello,
It looks like this was actually resolved in a relatively recent version of VASP. The bug occurs with VASP 5.4.1 but is not present with VASP 6.3.0, so thanks for taking care of it!
For reference, the files are attached in case anyone is curious. Andrew
It looks like this was actually resolved in a relatively recent version of VASP. The bug occurs with VASP 5.4.1 but is not present with VASP 6.3.0, so thanks for taking care of it!
For reference, the files are attached in case anyone is curious. Andrew
You do not have the required permissions to view the files attached to this post.
-
merzuk.kaltak
- Administrator
- Posts: 282
- Joined: Mon Sep 24, 2018 9:39 am
Re: IVDW not included in the vasprun.xml
I am glad your problem has been straighten out.