Calculate the LDA functional according to Vosk, Wilk and Nusair Literature: S. H. Vosko, L. Wilk and M. Nusair, Can. J. Phys. 58, 1200 (1980)
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subroutine, public | vwn_lda_info (reference, shortform, needs, max_deriv) |
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subroutine, public | vwn_lsd_info (reference, shortform, needs, max_deriv) |
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subroutine, public | vwn_lda_eval (rho_set, deriv_set, order, vwn_params) |
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subroutine, public | vwn_lsd_eval (rho_set, deriv_set, order, vwn_params) |
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Calculate the LDA functional according to Vosk, Wilk and Nusair Literature: S. H. Vosko, L. Wilk and M. Nusair, Can. J. Phys. 58, 1200 (1980)
- Note
- Order of derivatives is: LDA 0; 1; 2; 3;
- History
- JGH (26.02.2003) : OpenMP enabled fawzi (04.2004) : adapted to the new xc interface MG 01.2007 : added scaling MG 01.2007 : bug fix in vwn_lda_xx
- Author
- JGH (26.02.2002)
◆ vwn_lda_info()
subroutine, public xc_vwn::vwn_lda_info |
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character(len=*), intent(out), optional |
reference, |
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character(len=*), intent(out), optional |
shortform, |
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type(xc_rho_cflags_type), intent(inout), optional |
needs, |
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integer, intent(out), optional |
max_deriv |
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) |
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- Parameters
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reference | ... |
shortform | ... |
needs | ... |
max_deriv | ... |
Definition at line 114 of file xc_vwn.F.
◆ vwn_lsd_info()
subroutine, public xc_vwn::vwn_lsd_info |
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character(len=*), intent(out), optional |
reference, |
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character(len=*), intent(out), optional |
shortform, |
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type(xc_rho_cflags_type), intent(inout), optional |
needs, |
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integer, intent(out), optional |
max_deriv |
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) |
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- Parameters
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reference | ... |
shortform | ... |
needs | ... |
max_deriv | ... |
Definition at line 140 of file xc_vwn.F.
◆ vwn_lda_eval()
subroutine, public xc_vwn::vwn_lda_eval |
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type(xc_rho_set_type), intent(in) |
rho_set, |
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type(xc_derivative_set_type), intent(in) |
deriv_set, |
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integer, intent(in) |
order, |
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type(section_vals_type), pointer |
vwn_params |
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) |
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- Parameters
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rho_set | ... |
deriv_set | ... |
order | ... |
vwn_params | ... |
Definition at line 166 of file xc_vwn.F.
◆ vwn_lsd_eval()
subroutine, public xc_vwn::vwn_lsd_eval |
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type(xc_rho_set_type), intent(in) |
rho_set, |
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type(xc_derivative_set_type), intent(in) |
deriv_set, |
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integer, intent(in) |
order, |
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type(section_vals_type), pointer |
vwn_params |
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) |
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- Parameters
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rho_set | ... |
deriv_set | ... |
order | ... |
vwn_params | ... |
Definition at line 524 of file xc_vwn.F.