DFT-D3 calculations are failing
Click here for full thread
Just Got Here
7:08:22 AM PST - Fri, Jan 26th 2018
Hi all,
I faced a problem with a PSPW calculation: when Grimme's corrections are used the calculation crashes with the following message
nwxc_vdw3_dftd3 is not in this build of NWChem 0
To reproduce the error one may run the "pspw-grimme" test from the QA directory.