how can I calculate the infrared (IR) intensity
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how can I calculate the infrared (IR) intensity
Is there any keyword in INCAR to calculate the infrared (IR) intensity.
For one molecule absorbed on gold surface.
For one molecule absorbed on gold surface.
Last edited by weihu on Mon May 05, 2014 4:03 pm, edited 1 time in total.
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Re: how can I calculate the infrared (IR) intensity
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