Author Topic: Xcfun  (Read 3401 times)


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« 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,