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dft_keywords
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This module contains the main keywords related to a DFT calculation or RS-DFT calculation.
These keywords are related to the following programs of the |QP| core modules:
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* :ref: `ks_scf` : Kohn-Sham |DFT|
* :ref: `rs_ks_scf` : Range separated Hybrids |DFT|
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Modifying the exchange/correlation functionals
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To modify the exchange/correlation functionals, see the following keywords:
* :option: `dft_keywords exchange_functional` : type of exchange functionals
* :option: `dft_keywords correlation_functional` : type of correlation functionals
Each of these keywords can have the following value:
* "LDA" or "short_range_LDA" for, respectively the |LDA| and its short-range version
* "PBE" or "short_range_PBE" for, respectively the |PBE| and its short-range version
Modifying the amount of |HF| exchange
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* :option: `dft_keywords HF_exchange` : only relevent for the :ref: `ks_scf` program
Other related keywords not defined in :ref: `module_dft_keywords`
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The keyword for the **range separation parameter** :math: `\mu` is the :option: `ao_two_e_erf_ints mu_erf` keyword.
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The keyword for the **type of density used in RS-DFT** calculation with a **multi-configurational wave function** is the :option: `density_for_dft density_for_dft` keyword.
