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Questions on vdW corrections Date: 2023/04/21 16:20 Name: Xinlu Li   <lixinlu@hust.edu.cn> I have been following the OpenMX manual and have successfully run some calculations with the standard GGA functional. However, I am now interested in using the optB88-vdW functional to better account for van der Waals interactions in my system. Specifically, I am wondering if you could provide guidance on the following questions: What changes do I need to make to the input file to use the optB88-vdW functional in OpenMX? Are there any specific parameters or settings that I should be aware of when using this functional? Are there any known issues or limitations when using the optB88-vdW functional in OpenMX? I would greatly appreciate any guidance or advice you could provide on these questions. Thank you for your time and expertise.

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