TURBOMOLE Users Forum

Installation and usage of TURBOMOLE => Installing the Program => Topic started by: mwbtm on April 10, 2017, 11:50:52 AM

Title: Xcfun
Post by: mwbtm on April 10, 2017, 11:50:52 AM

I am using Turbomole 7.0.1 can any one guide me how to use Xcfun. Actually I need to use m06 and tpssh functionals for optimizing geometries and calculating dscf, escf and egrad using these functionals. Can any one help me how to use Xcfun.
Best Regards,
mwb