VASP NEB calculations


I’ve being uploading a VASP NEB calculation on my NOMAD account. I did that by uploading a zip file with all the input/ouput files distributed in several folders (1 folder for 1 image).

The files have not been recognized as a NEB calculation. Instead, they are considered as a bunch of geometry optimizations.

Did I do something wrong? How can I make NOMAD recognize those files as what they are, a NEB calculation?

Thank you.


Thank you for reaching us. This is an NEB workflow and unfortunately, we have yet to provide an automated way to parse them. You can create it manually to specify the inputs, outputs and tasks of the NEB calculation. Please look at our documentation. Alternatively, you can click on ‘create entry’ in the upload page and then choose workflow2. Please send us an email if you need more assistance. May i know what code you used to do the calculations?

Thanks for your reply. I’m using VASP.
I’ll try your suggestions and come back to you.