exercises:2019_conexs_newcastle:ex2
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exercises:2019_conexs_newcastle:ex2 [2019/09/11 13:08] – [Making a XAS_TDP compatible ground state calculation] abussy | exercises:2019_conexs_newcastle:ex2 [2019/09/11 13:48] – [Linear-response TDDFT for XAS in CP2K: the XAS_TDP method] abussy | ||
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You can find documentation for the XAS_TDP method [[ http:// | You can find documentation for the XAS_TDP method [[ http:// | ||
- | **Remember** that the LR-TDDFT code is not yet included in the main CP2K code, hence you have to modify the `module load` line in the '' | + | **Remember** that the LR-TDDFT code is not yet included in the main CP2K code, hence you have to modify the '' |
< | < | ||
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</ | </ | ||
- | To make sure you are using the proper version, type `module unload CP2K/ | + | To make sure you are using the proper version, type '' |
===== Part 1: the standard workflow ===== | ===== Part 1: the standard workflow ===== | ||
exercises/2019_conexs_newcastle/ex2.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1