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General Questions and Answers / Re: Geometry optimization
« on: February 27, 2020, 07:38 »
This is the script.
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General Questions and Answers / Geometry optimization
« on: February 26, 2020, 12:05 »
I am trying to build a device for molecular spintronics using nickel and benzene dithiolate. The geometry optimization is almost taking 48 hours on 8 cores and still not converging. Can anybody help? thanks in advance.
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