Fix for S4 symmetry with NWChem 6.0


Forum Regular
Dear users,

The attached file fixes the S4 symmetry problem in NWChem 6.0 that was reported yesterday. Please download the file and add it to /src/geom in your NWChem installation, compile and relink.

File:Geom input.F

Best,
-Niri


Forum >> NWChem's corner >> NWChem functionality