http://cms.mpi.univie.ac.at/vasp/vasp/D ... rimme.html
The van der Waals radius (R0) for Al in Table 2 shoud be 1.639 angstrom (S. Grimme, J. Comput. Chem. 27, 1787 2006.).
vdW radius for Al element in DFT-D2 method of Grimme
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hundred
vdW radius for Al element in DFT-D2 method of Grimme
Last edited by hundred on Wed Nov 30, 2011 7:36 pm, edited 1 time in total.
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vdW radius for Al element in DFT-D2 method of Grimme
Thank you for reporting the typo. The Al value in manual will be corrected, in the code the value is OK.
[ Edited Thu Dec 01 2011, 01:38PM ]
[ Edited Thu Dec 01 2011, 01:38PM ]
Last edited by admin on Thu Dec 01, 2011 1:34 pm, edited 1 time in total.