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@Xiaojiao-Li-3

Xiaojiao Li

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Questions related from Xiaojiao Li

How to combine elements of two different parameter sets of DFTB?

When I use the DFTB theory of the cp2k package, I find that there is no potassium ion in the Slater-Koster parameters set (matsci), but I use the xtb method to test the potential function of mica,...

09 March 2022 1,113 5 View

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