UT theoretical chemistry code forum

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

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 ...

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.

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 ...