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Scripts, Tutorials and Applications / Re: Script for calculating the voltage drop.
« on: April 14, 2009, 17:39 »
Sorry I don't know what's the mean about " a padded layer of the electrode".
The whole length of the lih2li system is 40.34A.Why you plot 140 Bohr,that is 74.2A?
Secondly, there are 4 Li atoms in the left electrode(also the right),then next is the first Li atom in the center scattering region which I call "Li(1)".
The origin is "Li(1)" I mentioned above. Is that right.
Lastly,why your picture is not symmetric?I think lih2li is a symmetric system.
The whole length of the lih2li system is 40.34A.Why you plot 140 Bohr,that is 74.2A?
Secondly, there are 4 Li atoms in the left electrode(also the right),then next is the first Li atom in the center scattering region which I call "Li(1)".
The origin is "Li(1)" I mentioned above. Is that right.
Lastly,why your picture is not symmetric?I think lih2li is a symmetric system.