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Issue with VASP_VDW_KERNEL_DIR Setup Not Locating vdw_kernel.bindat File #959

@YuanbinLiu

Description

@YuanbinLiu

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:

  1. Are there any common pitfalls or additional steps that I might have overlooked in setting up this variable?
  2. 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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