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General Questions and Answers / Query on different isosurface values
« on: July 6, 2023, 19:42 »
Hi everyone,
I am working with a .cube file in the VESTA tool and I am trying to understand the physical significance of the 3 modes of the isosurface, as shown in the Figure. In particular, I am wondering what the difference is between the positive mode, the negative mode, and the positive and negative modes during the plot. As during ESP plot, sometimes it is only showing Positive. Can anyone help me out?
I am working with a .cube file in the VESTA tool and I am trying to understand the physical significance of the 3 modes of the isosurface, as shown in the Figure. In particular, I am wondering what the difference is between the positive mode, the negative mode, and the positive and negative modes during the plot. As during ESP plot, sometimes it is only showing Positive. Can anyone help me out?