hi every body. I am working on au111 surface. and I tried to run the diffrent number of layers. In running 4 and 5 layers I got the problem. when I runned siesta for 4 layer and when I watched its structre by xcryden it showes that the first 3 layers are not conncected to the 4th layer. for the 5 layers I have the same problem. I attached both of them structure to this e-mail. if any body knows what is my problem please let me know.
Au.fdf
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Au.fdf
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