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605 B
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14 lines
605 B
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============
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dft_keywords
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============
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This module contains the main keywords related to a DFT calculation or RS-DFT calculation, such as:
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* :option:`dft_keywords exchange_functional`
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* :option:`dft_keywords correlation_functional`
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* :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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