| Re: NEB restart ( No.1 )|
- Date: 2022/11/11 11:29
- Name: T. Ozaki
Can I assume that you restarted with the dat# file generated with the first calculation?
Since I was not able to reproduce the issue on my trial, could you share an input file
for a minimal case which reproduces the issue?
Thank you for your cooperation in advance.
| Re: NEB restart ( No.2 )|
- Date: 2022/11/12 22:24
- Name: Mehdi Vejdanihemmat <firstname.lastname@example.org>
- Dear Prof. Ozaki,
Thank you for your reply. I removed Hubbard related keywords and "off" option of each atomic coordinate (I used DFT instead of DFT+U) in dat#, then run that. The problem was solved (I mean the restart file (dat#) was run without the mentioned error). I think the related source code must be corrected and consider DFT+U method.