
.. _`table:opt_dft`:

+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| name                        | calls method DFT :ref:`[manual] <sec:dft>`                                                                                                   |
+=============================+==============================================================================================================================================+
| b3lyp                       | B3LYP Hybrid-GGA Exchange-Correlation Functional (VWN1-RPA)                                                                                  |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| b3lyp-chg                   | B3LYP Hybrid-GGA Exchange-Correlation Functional (VWN1-RPA) w/ Chai and Head-Gordon Dispersion Correction                                    |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| b3lyp-d                     | B3LYP Hybrid-GGA Exchange-Correlation Functional (VWN1-RPA) w/ Grimme's -D2 Dispersion Correction                                            |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| b3lyp-d1                    | B3LYP Hybrid-GGA Exchange-Correlation Functional (VWN1-RPA) w/ Grimme's -D1 Dispersion Correction                                            |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| b3lyp-d3                    | B3LYP Hybrid-GGA Exchange-Correlation Functional (VWN1-RPA) w/ Grimme's -D3 (zero-damping) Dispersion Correction                             |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| b3lyp-d3bj                  | B3LYP Hybrid-GGA Exchange-Correlation Functional (VWN1-RPA) w/ Grimme's -D3 (BJ-damping) Dispersion Correction                               |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| b3lyp-d3m                   | B3LYP Hybrid-GGA Exchange-Correlation Functional (VWN1-RPA) w/ Grimme's -D3 (zero-damping, short-range refitted) Dispersion Correction       |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| b3lyp-d3mbj                 | B3LYP Hybrid-GGA Exchange-Correlation Functional (VWN1-RPA) w/ Grimme's -D3 (BJ-damping, short-range refitted) Dispersion Correction         |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| b3lyp5                      | B3LYP5 Hybrid-GGA Exchange-Correlation Functional (VWN5)                                                                                     |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| b3lyp5-d                    | B3LYP5 Hybrid-GGA Exchange-Correlation Functional (VWN5) w/ Grimme's -D2 Dispersion Correction                                               |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| b3lyp5-d3                   | B3LYP5 Hybrid-GGA Exchange-Correlation Functional (VWN5) w/ Grimme's -D3 (zero-damping) Dispersion Correction                                |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| b3lyp5-d3bj                 | B3LYP5 Hybrid-GGA Exchange-Correlation Functional (VWN5) w/ Grimme's -D3 (BJ-damping) Dispersion Correction                                  |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| b3lyp5-d3m                  | B3LYP5 Hybrid-GGA Exchange-Correlation Functional (VWN5) w/ Grimme's -D3 (zero-damping, short-range refitted) Dispersion Correction          |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| b3lyp5-d3mbj                | B3LYP5 Hybrid-GGA Exchange-Correlation Functional (VWN5) w/ Grimme's -D3 (BJ-damping, short-range refitted) Dispersion Correction            |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| b3_x                        | Becke88 GGA Exchange (B3LYP weighting)                                                                                                       |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| b88_x                       | Becke88 GGA Exchange                                                                                                                         |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| b97-0                       | B97-0 Hybrid-GGA Exchange-Correlation Functional                                                                                             |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| b97-1                       | B97-1 Hybrid-GGA Exchange-Correlation Functional                                                                                             |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| b97-2                       | B97-2 Hybrid-GGA Exchange-Correlation Functional                                                                                             |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| b97-d                       | B97-D Pure-GGA Exchange-Correlation Functional w/ Grimme's -D2 Dispersion Correction                                                         |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| b97-d3                      | B97-D Pure-GGA Exchange-Correlation Functional w/ Grimme's -D3 (zero-damping) Dispersion Correction                                          |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| b97-d3bj                    | B97-D Pure-GGA Exchange-Correlation Functional w/ Grimme's -D3 (BJ-damping) Dispersion Correction                                            |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| b97-d3m                     | B97-D Pure-GGA Exchange-Correlation Functional w/ Grimme's -D3 (zero-damping, short-range refitted) Dispersion Correction                    |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| b97-d3mbj                   | B97-D Pure-GGA Exchange-Correlation Functional w/ Grimme's -D3 (BJ-damping, short-range refitted) Dispersion Correction                      |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| blyp                        | BLYP GGA Exchange-Correlation Functional                                                                                                     |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| blyp-d                      | BLYP GGA Exchange-Correlation Functional w/ Grimme's -D2 Dispersion Correction                                                               |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| blyp-d1                     | B3LYP Hybrid-GGA Exchange-Correlation Functional (VWN1-RPA) w/ Grimme's -D1 Dispersion Correction                                            |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| blyp-d3                     | BLYP GGA Exchange-Correlation Functional w/ Grimme's -D3 (zero-damping) Dispersion Correction                                                |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| blyp-d3bj                   | BLYP GGA Exchange-Correlation Functional w/ Grimme's -D3 (BJ-damping) Dispersion Correction                                                  |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| blyp-d3m                    | BLYP GGA Exchange-Correlation Functional w/ Grimme's -D3 (zero-damping, short-range refitted) Dispersion Correction                          |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| blyp-d3mbj                  | BLYP GGA Exchange-Correlation Functional w/ Grimme's -D3 (BJ-damping, short-range refitted) Dispersion Correction                            |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| bp86                        | BP86 GGA Exchange-Correlation Functional                                                                                                     |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| bp86-d                      | BP86 GGA Exchange-Correlation Functional w/ Grimme's -D2 Dispersion Correction                                                               |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| bp86-d1                     | BP86 GGA Exchange-Correlation Functional w/ Grimme's -D1 Dispersion Correction                                                               |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| bp86-d3                     | BP86 GGA Exchange-Correlation Functional w/ Grimme's -D3 (zero-damping) Dispersion Correction                                                |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| bp86-d3bj                   | BP86 GGA Exchange-Correlation Functional w/ Grimme's -D3 (BJ-damping) Dispersion Correction                                                  |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| bp86-d3m                    | BP86 GGA Exchange-Correlation Functional w/ Grimme's -D3 (zero-damping, short-range refitted) Dispersion Correction                          |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| bp86-d3mbj                  | BP86 GGA Exchange-Correlation Functional w/ Grimme's -D3 (BJ-damping, short-range refitted) Dispersion Correction                            |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| ft97                        | FT97 GGA Exchange-Correlation Functional                                                                                                     |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| ft97b_x                     | Filitov and Theil 1997 Exchange                                                                                                              |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| ft97_c                      | FT97 Correlation (Involves Ei functions)                                                                                                     |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| hcth                        | HCTH Pure-GGA Exchange-Correlation Functional                                                                                                |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| hcth120                     | HCTH120 Pure-GGA Exchange-Correlation Functional                                                                                             |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| hcth120-d3                  | HCTH120 Pure-GGA Exchange-Correlation Functional w/ Grimme's -D3 (zero-damping) Dispersion Correction                                        |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| hcth120-d3bj                | HCTH120 Pure-GGA Exchange-Correlation Functional w/ Grimme's -D3 (BJ-damping) Dispersion Correction                                          |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| hcth147                     | HCTH147 Pure-GGA Exchange-Correlation Functional                                                                                             |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| hcth407                     | HCTH407 Pure-GGA Exchange-Correlation Functional                                                                                             |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| hf+d                        |  w/ Podeszwa and Szalewicz Dispersion Correction                                                                                             |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| hf_x                        | Hartree-Fock Exchange Functional                                                                                                             |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| lyp_c                       | LYP Correlation                                                                                                                              |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| m05                         | Heavily Parameterized Hybrid Meta-GGA XC Functional                                                                                          |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| m05-2x                      | Heavily Parameterized Hybrid Meta-GGA XC Functional                                                                                          |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| m05-2x-d3                   | Heavily Parameterized Hybrid Meta-GGA XC Functional w/ Grimme's -D3 (zero-damping) Dispersion Correction                                     |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| m05-d3                      | Heavily Parameterized Hybrid Meta-GGA XC Functional w/ Grimme's -D3 (zero-damping) Dispersion Correction                                     |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| p86_c                       | P86 Correlation (PZ81 LSDA + P86 GGA)                                                                                                        |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| pbe                         | PBE GGA Exchange-Correlation Functional                                                                                                      |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| pbe-d                       | PBE GGA Exchange-Correlation Functional w/ Grimme's -D2 Dispersion Correction                                                                |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| pbe-d1                      | PBE GGA Exchange-Correlation Functional w/ Grimme's -D1 Dispersion Correction                                                                |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| pbe-d3                      | PBE GGA Exchange-Correlation Functional w/ Grimme's -D3 (zero-damping) Dispersion Correction                                                 |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| pbe-d3bj                    | PBE GGA Exchange-Correlation Functional w/ Grimme's -D3 (BJ-damping) Dispersion Correction                                                   |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| pbe-d3m                     | PBE GGA Exchange-Correlation Functional w/ Grimme's -D3 (zero-damping, short-range refitted) Dispersion Correction                           |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| pbe-d3mbj                   | PBE GGA Exchange-Correlation Functional w/ Grimme's -D3 (BJ-damping, short-range refitted) Dispersion Correction                             |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| pbe0                        | PBE0 Hybrid GGA Exchange-Correlation Functional                                                                                              |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| pbe0-d                      | PBE0 Hybrid GGA Exchange-Correlation Functional w/ Grimme's -D2 Dispersion Correction                                                        |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| pbe0-d3                     | PBE0 Hybrid GGA Exchange-Correlation Functional w/ Grimme's -D3 (zero-damping) Dispersion Correction                                         |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| pbe0-d3bj                   | PBE0 Hybrid GGA Exchange-Correlation Functional w/ Grimme's -D3 (BJ-damping) Dispersion Correction                                           |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| pbe0-d3m                    | PBE0 Hybrid GGA Exchange-Correlation Functional w/ Grimme's -D3 (zero-damping, short-range refitted) Dispersion Correction                   |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| pbe0-d3mbj                  | PBE0 Hybrid GGA Exchange-Correlation Functional w/ Grimme's -D3 (BJ-damping, short-range refitted) Dispersion Correction                     |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| pbea_c                      | New Implementation of PBEC in wPBEc-sr.                                                                                                      |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| pbesol_x                    | PBEsol GGA Exchange Hole (Parameter Free)                                                                                                    |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| pbe_c                       | PBE Correlation                                                                                                                              |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| pbe_x                       | PBE GGA Exchange Hole (Parameter Free)                                                                                                       |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| pw91                        | PW91 GGA Exchange-Correlation Functional                                                                                                     |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| pw91_c                      | PW91 Correlation                                                                                                                             |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| pw91_x                      | PW91 Parameterized GGA Exchange                                                                                                              |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| pw92a_c                     | New Implementation of PW92C in wPBEc-sr.                                                                                                     |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| pw92_c                      |                                                                                                                                              |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| pz81_c                      | PZ81 Correlation                                                                                                                             |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| rpbe_x                      | RPBE GGA Exchange Hole (Parameter Free)                                                                                                      |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| sogga                       | Second Order GGA Exchange-Correlation Functional                                                                                             |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| sogga_x                     | Second Order GGA Exchange Hole (Parameter Free)                                                                                              |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| svwn                        | SVWN3 (RPA) LSDA Functional                                                                                                                  |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| s_x                         | Slater LSDA Exchange                                                                                                                         |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| vwn3rpa_c                   | VWN3 LSDA Correlation, RPA Parameters, VWN1 Spin Polarization                                                                                |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| vwn3_c                      | VWN3 LSDA Correlation, QMC Parameters, VWN1 Spin Polarization                                                                                |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| vwn5rpa_c                   | VWN5 LSDA Correlation, RPA Parameters, VWN5 Spin Polarization                                                                                |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| vwn5_c                      | VWN5 LSDA Correlation, QMC Parameters, VWN5 Spin Polarization                                                                                |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| dldf                        | Dispersionless Hybrid Meta-GGA XC Functional                                                                                                 |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| dldf+d                      | Dispersionless Hybrid Meta-GGA XC Functional w/ Podeszwa and Szalewicz Dispersion Correction                                                 |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+
| dldf+d09                    | Dispersionless Hybrid Meta-GGA XC Functional w/ Podeszwa and Szalewicz Dispersion Correction                                                 |
+-----------------------------+----------------------------------------------------------------------------------------------------------------------------------------------+

