Hi All,
I have seen a lot of papers use TD-DFT in vasp, and on the main VASP page, it says vasp can do this. However, i have been completely unable to find the tags/options required to set up the job. Any help would be much appreciated.
Thanks
Time Dependent DFT (TDDFT)
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cmuhich
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Time Dependent DFT (TDDFT)
Last edited by cmuhich on Mon Jan 07, 2013 6:49 pm, edited 1 time in total.
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fme3535
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Time Dependent DFT (TDDFT)
VASP 5.2.2 release notes do indicate features such as TD-HF and TD-HSE. However, it also indicates that these features are experimental. I wonder if that is the reason for not providing any information in the manual. I am also unable to find anything related to this even though other experimental features are explained like calculation of self consistent GW etc. If anyone familiar with this issue please respond. Thanks.
Last edited by fme3535 on Wed Jan 30, 2013 10:47 pm, edited 1 time in total.