Hi,
I came across this similar VASP error during my CI-NEB calculation. I've searched for the answer to this issue both in VASP forum and here, but the solution to this problem is quite limited. I'm wondering if you have found the potential source of error?
Thank you very much.
Panithita
Search found 4 matches
- Wed Aug 15, 2012 1:23 am
- Forum: VTSTTools
- Topic: NEB problem
- Replies: 3
- Views: 16410
- Sun Apr 29, 2012 10:22 pm
- Forum: VTSTTools
- Topic: Question about dosanalyze.pl
- Replies: 28
- Views: 66298
Re: Question about dosanalyze.pl
Sorry for late response. I'm attaching the original DOSCAR, OUTCAR and the split_dos script here. My system doesn't involve with f-electrons. It is a clean surface of vanadium. So each column in the DOS1 file refers to: Energy s py pz px dxy dyz dz2 dxz dx2y2 Please let me know if you need further i...
- Fri Apr 27, 2012 5:40 pm
- Forum: VTSTTools
- Topic: Question about dosanalyze.pl
- Replies: 28
- Views: 66298
Re: Question about dosanalyze.pl
I've attached the DOS1 and the dosanalyze.pl script that I used here. I hope it is okay to attach as a txt file. I was trying to upload the original output file but there was a problem with the extension.
Thank you very much for your help, and please let me know if you need other information.
Thank you very much for your help, and please let me know if you need other information.
- Fri Apr 27, 2012 9:07 am
- Forum: VTSTTools
- Topic: Question about dosanalyze.pl
- Replies: 28
- Views: 66298
Question about dosanalyze.pl
Dear all, I have been using the dosanalyze.pl for a while without any unusual output. Anyway, I just re-downloaded a VTSTTools from the website a couple days ago and tried to use the dosanalyze.pl again. I was trying to evaluate the d-band center of atom no.1 in my system, so I typed the following c...