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23 lines
512 B
Fortran
23 lines
512 B
Fortran
BEGIN_PROVIDER [double precision, mu_erf_dft]
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implicit none
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BEGIN_DOC
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! range separation parameter used in RS-DFT.
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!
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! It is set to mu_erf in order to be consistent with the module "ao_two_e_erf_ints"
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END_DOC
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mu_erf_dft = mu_erf
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END_PROVIDER
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BEGIN_PROVIDER [double precision, mu_of_r_dft, (n_points_final_grid)]
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implicit none
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integer :: i
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do i = 1, n_points_final_grid
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if(mu_dft_type == "cst")then
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mu_of_r_dft(i) = mu_erf_dft
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else
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mu_of_r_dft(i) = mu_of_r_hf(i)
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endif
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enddo
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END_PROVIDER
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