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Answer by Camps for What is the speed/time required for DFT simulations?
As the comments to your question suggest, there isn't a simple answer as there are many issues involved like system size, numerical tricks, hardware configuration, etc.There is an specific project that...
View ArticleWhat is the speed/time required for DFT simulations?
I am currently designing a toy model to calculate an interatomic potential (for an infinite repeating lattice) this toy model needs to scale and perform better than DFT simulations. But sadly I have...
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