How are the settings of dftd? |
- Date: 2025/06/10 22:48
- Name: dena
<daa58768199@gmail.com>
- Hello everyone
I am asking my question again about how to set the part DFT-D3 method. I am confused about using this correction in calculations.
In the working folder, what the sample file is placed is similar and I did not find the answer to my question.
Question: What is the relationship between the DFTD.rcut_dftD value and the dimensions of the unit cell that should be considered?
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