Search found 2 matches

by gnayak
Wed May 03, 2023 10:27 am
Forum: VTSTTools
Topic: Error reading item 'IOPT' from file INCAR.
Replies: 9
Views: 41857

Re: Error reading item 'IOPT' from file INCAR.

Dear Prof. Henkelman,
Thank you for the hint.

Kind regards,
Ganesh K Nayak
by gnayak
Tue May 02, 2023 10:14 am
Forum: VTSTTools
Topic: Error reading item 'IOPT' from file INCAR.
Replies: 9
Views: 41857

Re: Error reading item 'IOPT' from file INCAR.

Dear Prof. Henkelman,
I have a simillar problem (i.e. IOPT error).

I have tested all the solutions you provided. It seems the vasp built with VTST is fine, according to your explanation here. Mine is "VTST: version 3.2, (02/03/18)".

I would appreciate your help with this. I have attached the .zip ...