Queries about input and output files, running specific calculations, etc.
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manoj_wijesingha
- Newbie
- Posts: 39
- Joined: Wed Sep 21, 2022 6:52 pm
#1
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by manoj_wijesingha » Mon Jul 07, 2025 1:02 pm
Hi Colleagues,
I tried to run freq1 and freq2 of these examples in the tutorial for IDM calculations (https://www.vasp.at/tutorials/latest/tr ... tes/part1/). When including the ML_FF tags, it gives an error message "ML_FF is missing". Without the tags of ML_FF, it runs nicely. So, I have installed VASP.6.5.1 successfully including the machine learning parts. I have attached files for you.
Best Regards,
Manoj.
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alexey.tal
- Global Moderator
- Posts: 397
- Joined: Mon Sep 13, 2021 12:45 pm
#2
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by alexey.tal » Mon Jul 07, 2025 2:15 pm
Dear Manoj,
Thank you for your question.
In this tutorial you should download a pre-trained machine-learned force field. The link to download the force field is shown in the very begging of the tutorial. Did you copy this file into your working directory?
Best wishes,
Alexey