Large positive energies for vdW-DF functional
Revision as of 14:40, 14 September 2015 by Kurt Lejaeghere (talk | contribs) (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...")
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.