[Wien] Problem with DFT-D3

[tran at theochem.tuwien.ac.at]

Dear WIEN2k users,

It could eventually happen that the forces calculated by the DFT-D3
package are completely wrong. At the moment it is not clear what is the
reason for this. This is due to either a programming error in DFT-D3 or a
bug in some version(s) of the intel compiler.

To avoid the problem, the best solution is to compile the DFT-D3 package
(that can be downloaded from the webpage of S. Grimme) with the flag "-C"
instead of "-O" in the Makefile. Then the forces should be ok.

F. Tran