Difference between revisions of "Large positive energies for vdW-DF functional"

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(Created page with "This incorrect behaviour was found to occur when the vdw_kernel.bindat was not present in the directory of the calculation. Maybe there are compilation errors or bugs that cau...")
 
 
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This incorrect behaviour was found to occur when the vdw_kernel.bindat was not present in the directory of the calculation. Maybe there are compilation errors or bugs that cause the VASP-generated version of the kernel to be incorrect.
 
This incorrect behaviour was found to occur when the vdw_kernel.bindat was not present in the directory of the calculation. Maybe there are compilation errors or bugs that cause the VASP-generated version of the kernel to be incorrect.
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Solution: use the vdw_kernel.bindat from the VASP source.

Latest revision as of 14:40, 14 September 2015

This incorrect behaviour was found to occur when the vdw_kernel.bindat was not present in the directory of the calculation. Maybe there are compilation errors or bugs that cause the VASP-generated version of the kernel to be incorrect.

Solution: use the vdw_kernel.bindat from the VASP source.