libraries/lanl2dzdp ecp change between 5.1.1 and 6.0
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Guest -
8:57:47 AM PST - Mon, Feb 21st 2011
Hi!
We have a user that was using
ecp
Pb library "LANL2DZdp ECP"
end
when running with nwchem 5.1.1.
That file has changed between 5.1.1. and 6.0 and now no longer contains ecp data.
Is this an oversight or intentional and if so what should i recommend him to do?