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. 2017 Mar 8;18(8):873–877. doi: 10.1002/cphc.201700151

Figure 1.

Figure 1

Flowchart of the strategy employed in the present work. Starting from liquid and amorphous carbon structures, we generate a Gaussian approximation potential (GAP) similar to that in Ref. 13 but here excluding any crystalline training data on purpose. We then use this for random structure searching,1d and subsequently re‐relax suitable candidate structures with DFT (see text).