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ubsuny / 23-Homework7G2

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Initial coordinates in octagonal structure #47

Open reshnashrestha opened 9 months ago

reshnashrestha commented 9 months ago

@yasmensarhan27 in the nacl_octagon.py how did you manage to get the initial position?

reshnashrestha commented 9 months ago

image Did you follow this?

yasmensarhan27 commented 9 months ago

Hi

I Used the empirical value 2.36 A (0.236 nm) then put the z=0 for all the points draw the configuration in using the equilibrium distance between each Na and Cl

yasmensarhan27 commented 9 months ago

Like this but please keep in mind that the values are in Angstrom so you have to divide by 10 to have the indices in nm @reshnashrestha

IMG_8511

s4il3sh commented 9 months ago

Is there some kind of code to find out these configurations when we input their bond length?

reshnashrestha commented 9 months ago

Oh seems like a lot of hard work

LinxuanHu commented 9 months ago

did you figured it out?