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Hi,
I have been working on setting up Atomate2 for my VASP calculations, and I encountered an issue related to the VASP_VDW_KERNEL_DIR variable. I followed the instructions provided in the Atomate2 documentation (available here) to configure the VASP_VDW_KERNEL_DIR variable. The goal was to ensure that the vdw_kernel.bindat file could be correctly located during my VASP calculations.
Despite following the documentation, it appears that the vdw_kernel.bindat file is still not being found during the calculations. I have double-checked the path and confirmed that the file exists at the specified location.
Could you please provide some guidance on what might be going wrong? Specifically:
- Are there any common pitfalls or additional steps that I might have overlooked in setting up this variable?
- Is there a way to verify within Atomate2 that the VASP_VDW_KERNEL_DIR variable is correctly pointing to the intended directory?
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