interlayer distance in slab with high index surface

[larakabalan]

what ? to define layers in a slab, specially high index surface and to calculate the average distance between the atoms of each layer

github_issue.docx

@ikowalec @PavelStishenko @GabrielBram

[larakabalan]

what ? to define layers in a slab, specially high index surface and to calculate the average distance between the atoms of each layer

github_issue.docx

@ikowalec @PavelStishenko @GabrielBram @hthomas0

Steps to do it:
1- sorting the elements in the z direction
2- calculating the coordination number
3- define surface top and down (lowest coordination number), ignore the down one.
4- Define the subsequent layers (by assuming the same number of atoms in each layers)

[logsdail]

@larakabalan: Can we dumpy the .docx contents here too? Is there any reason to have them in a separate file?

[logsdail]

@hthomas0 : Part of the conversation here was how calculation of CN would be useful in this case for defining layers, so your code might help?