Infrared (IR) intensity by VASP 6.3.2
Posted: Mon Jul 17, 2023 2:21 pm
Hi VASP users,
I need to know that how can I calculate the Infrared (IR) intensity by using VASP 6.3.2. I calculated the frequencies by DFPT vibrational analysis, LEPSILON = .TRUE., NSW =1 and NWRITE=3. After obtaining the frequencies, how can we get the intensities (IR spectroscopy plot) for them.
Thank you.
I need to know that how can I calculate the Infrared (IR) intensity by using VASP 6.3.2. I calculated the frequencies by DFPT vibrational analysis, LEPSILON = .TRUE., NSW =1 and NWRITE=3. After obtaining the frequencies, how can we get the intensities (IR spectroscopy plot) for them.
Thank you.