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.. _dft_keywords:
.. program :: dft_keywords
.. default-role :: option
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============
dft_keywords
============
This module contains the main keywords related to a DFT calculation or RS-DFT calculation, such as:
* :option: `dft_keywords exchange_functional`
* :option: `dft_keywords correlation_functional`
* :option: `dft_keywords HF_exchange` : only relevent for the :c:func: `rs_ks_scf` program
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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.
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EZFIO parameters
----------------
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.. option :: exchange_functional
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name of the exchange functional
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Default: short_range_LDA
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.. option :: correlation_functional
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name of the correlation functional
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Default: short_range_LDA
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.. option :: HF_exchange
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Percentage of HF exchange in the DFT model
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Default: 0.
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Providers
---------
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.. c:var :: dft_type
.. code :: text
character*(32) :: dft_type
File: :file: `keywords.irp.f`
defines the type of DFT applied: LDA, GGA etc ...