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.