VSXC functional

Eliseo Ruiz eliseo.ruiz at antares.qi.ub.es
Thu Jan 2 11:33:34 GMT 2003

Dear Molpro Users,

      I am doing some DFT calculations using the VSXC meta GGA
functional for some simple open shell systems. In many cases,
I obtain Nans in the SCF energy. However, for the same molecule 
introducing a small change of the geometry, the calculation converges 
without troubles.

         thanks a lot,

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