How to compare the structure ?

ubsuny / 23-Homework7G1

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How to compare the structure ? #81

Open pratibha77118 opened 7 months ago

pratibha77118 commented 7 months ago

Hi all how do you compare the structure we obtained after the plot of final optimized positions of ions chosen? It seems that the final structure should be comparable to the one given in paper.

tirthbha commented 7 months ago

@pratibha77118 I think, if we have computed the binding energy per ion, it make sense to compare with those given in the paper.

AhmedCode99 commented 7 months ago

I dont think the paper and the compphys code match