2019-01-25 11:39:31 +01:00
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===============
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density_for_dft
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===============
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2019-01-29 23:10:00 +01:00
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This module defines the *provider* of the density used for the |DFT| related
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calculations. This definition is done through the keyword
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:option:`density_for_dft density_for_dft`. The density can be:
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2019-01-25 11:39:31 +01:00
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2019-01-29 23:10:00 +01:00
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* `WFT`: the density is computed with a potentially multi determinant wave
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function (see variables `psi_det` and `psi_det`)# input_density: the density
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is set to a density previously stored in the |EZFIO| directory (see
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``aux_quantities``)
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* `damping_rs_dft`: the density is damped between the input_density and the WFT
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density, with a damping factor of :option:`density_for_dft damping_for_rs_dft`
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2019-01-25 11:39:31 +01:00
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