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Scripts, Tutorials and Applications / LiH2 voltage drop
« on: November 27, 2010, 03:17 »
Hi
I have calculated potential about the Li_H2 chain, but I can not get the reasonable result. The potential abrupt changed at the right electrode edge. This puzzle me several weeks, what problem happened?
I have calculated potential about the Li_H2 chain, but I can not get the reasonable result. The potential abrupt changed at the right electrode edge. This puzzle me several weeks, what problem happened?