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