Lindqvist -- a blog about Linux and Science. Mostly.: exchange correlation functional

Lindqvist -- a blog about Linux and Science. Mostly.

Lindqvist - a blog about Linux and Science. Mostly.

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Showing posts with label exchange correlation functional. Show all posts

Showing posts with label exchange correlation functional. Show all posts

03 December 2013

533. Adding a new Exchange/Correlation functional to ECCE. M06 for G03 (G09)

Nothing fancy here. I'd just like to be able to select the M06 functional, which is available in G09, using the ECCE interface. At so...

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