Author Topic: LibXC index numbers  (Read 832 times)

martijn

  • Full Member
  • ***
  • Posts: 25
  • Karma: +0/-0
LibXC index numbers
« on: October 25, 2019, 03:44:39 pm »
Where can I find a list of functional in LibXC with the index numbers that are required in Turbomole to define a functional using LibXC for which no shortcut is available? I had a look at the list of functionals in the LibXC documentation (https://www.tddft.org/programs/libxc/functionals/previous/libxc-4.0.0/) but that doesn't seem to include these numbers.

Thanks,

Martijn

uwe

  • Global Moderator
  • Sr. Member
  • *****
  • Posts: 457
  • Karma: +0/-0
Re: LibXC index numbers
« Reply #1 on: October 25, 2019, 06:18:59 pm »
Hi,

Turbomole 7.4 uses libXC version 4.3.0. To find out which functional has which number, I checked out this version from the gitlab repo: https://gitlab.com/libxc/libxc/tree/4.3.0

and then did a grep on "define XC_" for all routines and sorted that according the numbers. Here is the result:

XC_LDA_X         1   /* Exchange                            */
XC_LDA_C_WIGNER    2   /* Wigner parametrization       */
XC_LDA_C_RPA  3   /* Random Phase Approximation   */
XC_LDA_C_HL   4   /* Hedin & Lundqvist            */
XC_LDA_C_GL   5   /* Gunnarson & Lundqvist        */
XC_LDA_C_XALPHA  6   /* Slater Xalpha                       */
XC_LDA_C_VWN      7   /* Vosko, Wilk, & Nusair (5)   */
XC_LDA_C_VWN_RPA  8   /* Vosko, Wilk, & Nusair (RPA) */
XC_LDA_C_PZ       9   /* Perdew & Zunger              */
XC_LDA_C_PZ_MOD  10   /* Perdew & Zunger (Modified)   */
XC_LDA_C_OB_PZ   11   /* Ortiz & Ballone (PZ)         */
XC_LDA_C_PW     12   /* Perdew & Wang                */
XC_LDA_C_PW_MOD 13   /* Perdew & Wang (Modified)     */
XC_LDA_C_OB_PW  14   /* Ortiz & Ballone (PW)         */
XC_LDA_C_2D_AMGB  15   /* Attaccalite et al             */
XC_LDA_C_2D_PRM  16   /* Pittalis, Rasanen & Marques correlation in 2D */
XC_LDA_C_vBH 17   /* von Barth & Hedin            */
XC_LDA_C_1D_CSC          18 /* Casula, Sorella, and Senatore 1D correlation     */
XC_LDA_X_2D  19 /* Exchange in 2D */
XC_LDA_XC_TETER93     20   /* Teter 93 parametrization                */
XC_LDA_X_1D          21 /* Exchange in 1D     */
XC_LDA_C_ML1    22   /* Modified LSD (version 1) of Proynov and Salahub */
XC_LDA_C_ML2    23   /* Modified LSD (version 2) of Proynov and Salahub */
XC_LDA_C_GOMBAS  24   /* Gombas parametrization       */
XC_LDA_C_PW_RPA 25   /* Perdew & Wang fit of the RPA */
XC_LDA_C_1D_LOOS          26 /* P-F Loos correlation LDA     */
XC_LDA_C_RC04          27 /* Ragot-Cortona */
XC_LDA_C_VWN_1   28   /* Vosko, Wilk, & Nusair (1)   */
XC_LDA_C_VWN_2   29   /* Vosko, Wilk, & Nusair (2)   */
XC_LDA_C_VWN_3   30   /* Vosko, Wilk, & Nusair (3)   */
XC_LDA_C_VWN_4   31   /* Vosko, Wilk, & Nusair (4)   */
XC_GGA_X_GAM          32 /* GAM functional from Minnesota */
XC_GGA_C_GAM           33 /* GAM functional from Minnesota            */
XC_GGA_X_HCTH_A          34 /* HCTH-A */
XC_GGA_X_EV93  35 /* Engel and Vosko */
XC_HYB_MGGA_X_DLDF      36 /* Dispersionless Density Functional */
XC_MGGA_C_DLDF           37 /* Dispersionless Density Functional             */
XC_GGA_X_BCGP          38 /* Burke, Cancio, Gould, and Pittalis             */
XC_GGA_C_BCGP          39 /* Burke, Cancio, Gould, and Pittalis                 */
XC_GGA_X_LAMBDA_OC2_N  40 /* lambda_OC2(N) version of PBE                   */
XC_GGA_X_B86_R         41 /* Revised Becke 86 Xalpha,beta,gamma (with mod. grad. correction) */
XC_MGGA_XC_ZLP          42 /* Zhao, Levy & Parr, Eq. (21) */
XC_LDA_XC_ZLP     43   /* Zhao, Levy & Parr, Eq. (20)  */
XC_GGA_X_LAMBDA_CH_N   44 /* lambda_CH(N) version of PBE                    */
XC_GGA_X_LAMBDA_LO_N   45 /* lambda_LO(N) version of PBE                    */
XC_GGA_X_HJS_B88_V2   46 /* HJS screened exchange corrected B88 version */
XC_GGA_C_Q2D          47 /* Chiodo et al  */
XC_GGA_X_Q2D          48 /* Chiodo et al  */
XC_GGA_X_PBE_MOL       49 /* Del Campo, Gazquez, Trickey and Vela (PBE-like) */
XC_LDA_K_TF      50   /* Thomas-Fermi kinetic energy functional */
XC_LDA_K_LP      51   /* Lee and Parr Gaussian ansatz           */
XC_GGA_K_TFVW          52  /* Thomas-Fermi plus von Weiszaecker correction */
XC_GGA_K_REVAPBEINT    53 /* interpolated version of REVAPBE                */
XC_GGA_K_APBEINT       54 /* interpolated version of APBE                   */
XC_GGA_K_REVAPBE       55 /* revised APBE                                   */
XC_GGA_X_AK13  56 /* Armiento & Kuemmel 2013 */
XC_GGA_K_MEYER        57 /* Meyer,  Wang, and Young */
XC_GGA_X_LV_RPW86 58 /* Berland and Hyldgaard */
XC_GGA_X_PBE_TCA       59 /* PBE revised by Tognetti et al                  */
XC_GGA_X_PBEINT        60 /* PBE for hybrid interfaces                      */
XC_GGA_C_ZPBEINT       61 /* spin-dependent gradient correction to PBEint       */
XC_GGA_C_PBEINT        62 /* PBE for hybrid interfaces                          */
XC_GGA_C_ZPBESOL       63 /* spin-dependent gradient correction to PBEsol       */
XC_MGGA_XC_OTPSS_D      64  /* oTPSS_D functional of Goerigk and Grimme   */
XC_GGA_XC_OPBE_D        65  /* oPBE_D functional of Goerigk and Grimme   */
XC_GGA_XC_OPWLYP_D      66  /* oPWLYP-D functional of Goerigk and Grimme */
XC_GGA_XC_OBLYP_D       67  /* oBLYP-D functional of Goerigk and Grimme  */
XC_GGA_X_VMT84_GE         68 /* VMT{8,4} with constraint satisfaction with mu = mu_GE  */
XC_GGA_X_VMT84_PBE        69 /* VMT{8,4} with constraint satisfaction with mu = mu_PBE  */
XC_GGA_X_VMT_GE           70 /* Vela, Medel, and Trickey with mu = mu_GE  */
XC_GGA_X_VMT_PBE          71 /* Vela, Medel, and Trickey with mu = mu_PBE */
XC_MGGA_C_CS          72 /* Colle and Salvetti */
XC_MGGA_C_MN12_SX      73 /* MN12-SX correlation functional from Minnesota */
XC_MGGA_C_MN12_L       74 /* MN12-L correlation functional from Minnesota  */
XC_MGGA_C_M11_L        75 /* M11-L correlation functional from Minnesota   */
XC_MGGA_C_M11          76 /* M11 correlation functional from Minnesota     */
XC_MGGA_C_M08_SO       77 /* M08-SO correlation functional from Minnesota  */
XC_MGGA_C_M08_HX       78 /* M08-HX correlation functional from Minnesota  */
XC_GGA_C_N12_SX        79 /* N12-SX functional from Minnesota         */
XC_GGA_C_N12           80 /* N12 functional from Minnesota            */
XC_HYB_GGA_X_N12_SX   81 /* N12-SX functional from Minnesota */
XC_GGA_X_N12          82 /* N12 functional from Minnesota    */
XC_GGA_C_REGTPSS       83 /* Regularized TPSS correlation (ex-VPBE)             */
XC_GGA_C_OP_XALPHA   84 /* one-parameter progressive functional (XALPHA version)  */
XC_GGA_C_OP_G96      85 /* one-parameter progressive functional (G96 version)     */
XC_GGA_C_OP_PBE      86 /* one-parameter progressive functional (PBE version)     */
XC_GGA_C_OP_B88      87 /* one-parameter progressive functional (B88 version)     */
XC_GGA_C_FT97          88 /* Filatov & Thiel correlation */
XC_GGA_C_SPBE          89 /* PBE correlation to be used with the SSB exchange   */
XC_GGA_X_SSB_SW       90  /* Swart, Sola and Bickelhaupt correction to PBE  */
XC_GGA_X_SSB          91  /* Swart, Sola and Bickelhaupt  */
XC_GGA_X_SSB_D        92  /* Swart, Sola and Bickelhaupt dispersion  */
XC_GGA_XC_HCTH_407P    93 /* HCTH/407+                                */
XC_GGA_XC_HCTH_P76     94 /* HCTH p=7/6                               */
XC_GGA_XC_HCTH_P14     95 /* HCTH p=1/4                               */
XC_GGA_XC_B97_GGA1     96 /* Becke 97 GGA-1                           */
XC_GGA_C_HCTH_A        97 /* HCTH-A                                   */
XC_GGA_X_BPCCAC  98 /* BPCCAC (GRAC for the energy) */
XC_GGA_C_REVTCA        99 /* Tognetti, Cortona, Adamo (revised) */
XC_GGA_C_TCA          100 /* Tognetti, Cortona, Adamo */
XC_GGA_X_PBE          101 /* Perdew, Burke & Ernzerhof exchange             */
XC_GGA_X_PBE_R        102 /* Perdew, Burke & Ernzerhof exchange (revised)   */
XC_GGA_X_B86          103 /* Becke 86 Xalpha,beta,gamma                      */
XC_GGA_X_HERMAN          104 /* Herman et al original GGA                  */
XC_GGA_X_B86_MGC      105 /* Becke 86 Xalpha,beta,gamma (with mod. grad. correction) */
XC_GGA_X_B88          106 /* Becke 88 */
XC_GGA_X_G96          107 /* Gill 96                                        */
XC_GGA_X_PW86         108 /* Perdew & Wang 86 */
XC_GGA_X_PW91         109 /* Perdew & Wang 91 */
XC_GGA_X_OPTX         110 /* Handy & Cohen OPTX 01                          */
XC_GGA_X_DK87_R1      111 /* dePristo & Kress 87 (version R1)               */
XC_GGA_X_DK87_R2      112 /* dePristo & Kress 87 (version R2)               */
XC_GGA_X_LG93  113 /* Lacks & Gordon 93 */
XC_GGA_X_FT97_A       114 /* Filatov & Thiel 97 (version A) */
XC_GGA_X_FT97_B       115 /* Filatov & Thiel 97 (version B) */
XC_GGA_X_PBE_SOL      116 /* Perdew, Burke & Ernzerhof exchange (solids)    */
XC_GGA_X_RPBE  117 /* Hammer, Hansen & Norskov (PBE-like) */
XC_GGA_X_WC         118 /* Wu & Cohen */
XC_GGA_X_MPW91        119 /* Modified form of PW91 by Adamo & Barone */
XC_GGA_X_AM05         120 /* Armiento & Mattsson 05 exchange                */
XC_GGA_X_PBEA  121 /* Madsen (PBE-like) */
XC_GGA_X_MPBE         122 /* Adamo & Barone modification to PBE             */
XC_GGA_X_XPBE         123 /* xPBE reparametrization by Xu & Goddard         */
XC_GGA_X_2D_B86_MGC      124 /* Becke 86 MGC for 2D systems */
XC_GGA_X_BAYESIAN          125 /* Bayesian best fit for the enhancement factor */
XC_GGA_X_PBE_JSJR     126 /* JSJR reparametrization by Pedroza, Silva & Capelle */
XC_GGA_X_2D_B88        127 /* Becke 88 in 2D */
XC_GGA_X_2D_B86          128 /* Becke 86 Xalpha,beta,gamma                      */
XC_GGA_X_2D_PBE          129 /* Perdew, Burke & Ernzerhof exchange in 2D          */
XC_GGA_C_PBE          130 /* Perdew, Burke & Ernzerhof correlation              */
XC_GGA_C_LYP    131  /* Lee, Yang & Parr */
XC_GGA_C_P86          132 /* Perdew 86 */
XC_GGA_C_PBE_SOL      133 /* Perdew, Burke & Ernzerhof correlation SOL          */
XC_GGA_C_PW91 134 /* Perdew & Wang 91 */
XC_GGA_C_AM05          135 /* Armiento & Mattsson 05 correlation             */
XC_GGA_C_XPBE         136 /* xPBE reparametrization by Xu & Goddard             */
XC_GGA_C_LM          137 /* Langreth and Mehl correlation          */
XC_GGA_C_PBE_JRGX     138 /* JRGX reparametrization by Pedroza, Silva & Capelle */
XC_GGA_X_OPTB88_VDW   139 /* Becke 88 reoptimized to be used with vdW functional of Dion et al */
XC_GGA_X_PBEK1_VDW    140 /* PBE reparametrization for vdW                  */
XC_GGA_X_OPTPBE_VDW   141 /* PBE reparametrization for vdW */
XC_GGA_X_RGE2         142 /* Regularized PBE                                */
XC_GGA_C_RGE2         143 /* Regularized PBE                                    */
XC_GGA_X_RPW86        144 /* refitted Perdew & Wang 86 */
XC_GGA_X_KT1          145 /* Exchange part of Keal and Tozer version 1 */
XC_GGA_XC_KT2         146 /* Keal and Tozer version 2                  */
XC_GGA_C_WL  147 /* Wilson & Levy */
XC_GGA_C_WI  148 /* Wilson & Ivanov */
XC_GGA_X_MB88         149 /* Modified Becke 88 for proton transfer */
XC_GGA_X_SOGGA        150 /* Second-order generalized gradient approximation */
XC_GGA_X_SOGGA11        151 /* Second-order generalized gradient approximation 2011 */
XC_GGA_C_SOGGA11       152 /* Second-order generalized gradient approximation 2011 */
XC_GGA_C_WI0 153 /* Wilson & Ivanov initial version */
XC_GGA_XC_TH1          154 /* Tozer and Handy v. 1 */
XC_GGA_XC_TH2          155 /* Tozer and Handy v. 2 */
XC_GGA_XC_TH3          156 /* Tozer and Handy v. 3 */
XC_GGA_XC_TH4          157 /* Tozer and Handy v. 4 */
XC_GGA_X_C09X         158 /* C09x to be used with the VdW of Rutgers-Chalmers     */
XC_GGA_C_SOGGA11_X     159 /* To be used with HYB_GGA_X_SOGGA11_X  */
XC_GGA_X_LB  160 /* van Leeuwen & Baerends */
XC_GGA_XC_HCTH_93     161 /* HCTH functional fitted to  93 molecules  */
XC_GGA_XC_HCTH_120    162 /* HCTH functional fitted to 120 molecules  */
XC_GGA_XC_HCTH_147    163 /* HCTH functional fitted to 147 molecules  */
XC_GGA_XC_HCTH_407    164 /* HCTH functional fitted to 407 molecules  */
XC_GGA_XC_EDF1        165 /* Empirical functionals from Adamson, Gill, and Pople */
XC_GGA_XC_XLYP       166  /* XLYP functional */
XC_GGA_XC_KT1         167 /* Keal and Tozer version 1                  */
XC_GGA_XC_B97_D       170 /* Grimme functional to be used with C6 vdW term */
XC_GGA_XC_PBE1W      173  /* Functionals fitted for water */
XC_GGA_XC_MPWLYP1W   174  /* Functionals fitted for water */
XC_GGA_XC_PBELYP1W   175  /* Functionals fitted for water */
XC_GGA_X_LBM 182 /* van Leeuwen & Baerends modified*/
XC_GGA_X_OL2          183 /* Exchange form based on Ou-Yang and Levy v.2 */
XC_GGA_X_APBE         184 /* mu fixed from the semiclassical neutral atom   */
XC_GGA_K_APBE         185 /* mu fixed from the semiclassical neutral atom   */
XC_GGA_C_APBE         186 /* mu fixed from the semiclassical neutral atom       */
XC_GGA_K_TW1          187 /* Tran and Wesolowski set 1 (Table II)           */
XC_GGA_K_TW2          188 /* Tran and Wesolowski set 2 (Table II)           */
XC_GGA_K_TW3          189 /* Tran and Wesolowski set 3 (Table II)           */
XC_GGA_K_TW4          190 /* Tran and Wesolowski set 4 (Table II)           */
XC_GGA_X_HTBS         191 /* Haas, Tran, Blaha, and Schwarz  */
XC_GGA_X_AIRY  192 /* Constantin et al based on the Airy gas */
XC_GGA_X_LAG   193 /* Local Airy Gas */
XC_GGA_XC_MOHLYP      194 /* Functional for organometallic chemistry */
XC_GGA_XC_MOHLYP2     195 /* Functional for barrier heights */
XC_GGA_XC_TH_FL        196 /* Tozer and Handy v. FL  */
XC_GGA_XC_TH_FC        197 /* Tozer and Handy v. FC  */
XC_GGA_XC_TH_FCFO      198 /* Tozer and Handy v. FCFO */
XC_GGA_XC_TH_FCO       199 /* Tozer and Handy v. FCO */
XC_GGA_C_OPTC       200 /* Optimized correlation functional of Cohen and Handy */
XC_MGGA_X_LTA          201 /* Local tau approximation of Ernzerhof & Scuseria */
XC_MGGA_X_TPSS          202 /* Tao, Perdew, Staroverov & Scuseria exchange */
XC_MGGA_X_M06_L         203 /* M06-L exchange functional from Minnesota          */
XC_MGGA_X_GVT4          204 /* GVT4 from Van Voorhis and Scuseria */
XC_MGGA_X_TAU_HCTH        205 /* tau-HCTH from Boese and Handy */
XC_MGGA_X_BR89         206 /* Becke-Roussel 89  */
XC_MGGA_X_BJ06         207 /* Becke & Johnson correction to Becke-Roussel 89  */
XC_MGGA_X_TB09         208 /* Tran & Blaha correction to Becke & Johnson  */
XC_MGGA_X_RPP09        209 /* Rasanen, Pittalis, and Proetto correction to Becke & Johnson  */
XC_MGGA_X_2D_PRHG07         210   /* Pittalis, Rasanen, Helbig, Gross Exchange Functional */
XC_MGGA_X_2D_PRHG07_PRP10   211   /* PRGH07 with PRP10 correction */
XC_MGGA_X_REVTPSS       212 /* revised Tao, Perdew, Staroverov & Scuseria exchange */
XC_MGGA_X_PKZB          213 /* Perdew, Kurth, Zupan, and Blaha */
XC_MGGA_X_MS0          221 /* MS exchange of Sun, Xiao, and Ruzsinszky */
XC_MGGA_X_MS1          222 /* MS1 exchange of Sun, et al */
XC_MGGA_X_MS2          223 /* MS2 exchange of Sun, et al */
XC_HYB_MGGA_X_MS2H     224 /* MS2 hybrid exchange of Sun, et al */
XC_MGGA_X_M11_L        226 /* M11-L exchange functional from Minnesota  */
XC_MGGA_X_MN12_L        227 /* MN12-L exchange functional from Minnesota          */
XC_MGGA_XC_CC06          229 /* Cancio and Chou 2006 */
XC_MGGA_X_MK00          230 /* Exchange for accurate virtual orbital energies */
XC_MGGA_C_TPSS          231 /* Tao, Perdew, Staroverov & Scuseria correlation */
XC_MGGA_C_VSXC          232 /* VSxc from Van Voorhis and Scuseria (correlation part) */
XC_MGGA_C_M06_L         233 /* M06-L correlation functional from Minnesota          */
XC_MGGA_C_M06_HF        234 /* M06-HF correlation functional from Minnesota         */
XC_MGGA_C_M06           235 /* M06 correlation functional from Minnesota            */
XC_MGGA_C_M06_2X        236 /* M06-2X correlation functional from Minnesota         */
XC_MGGA_C_M05           237 /* M05 correlation functional from Minnesota     */
XC_MGGA_C_M05_2X        238 /* M05-2X correlation functional from Minnesota  */
XC_MGGA_C_PKZB          239 /* Perdew, Kurth, Zupan, and Blaha */
XC_MGGA_C_BC95          240 /* Becke correlation 95 */
XC_MGGA_C_REVTPSS       241 /* revised TPSS correlation */
XC_MGGA_XC_TPSSLYP1W    242  /* Functionals fitted for water                                 */
XC_MGGA_X_MK00B         243 /* Exchange for accurate virtual orbital energies (v. B) */
XC_MGGA_X_BLOC          244 /* functional with balanced localization */
XC_MGGA_X_MODTPSS       245 /* Modified Tao, Perdew, Staroverov & Scuseria exchange */
XC_GGA_C_PBELOC       246 /* Semilocal dynamical correlation                    */
XC_MGGA_C_TPSSLOC       247 /* Semilocal dynamical correlation */
XC_HYB_MGGA_X_MN12_SX   248 /* MN12-SX hybrid exchange functional from Minnesota  */
XC_MGGA_X_MBEEF          249 /* mBEEF exchange */
XC_MGGA_X_MBEEFVDW       250 /* mBEEF-vdW exchange */
XC_MGGA_XC_B97M_V        254 /* Mardirossian and Head-Gordon */
XC_GGA_XC_VV10         255 /* Vydrov and Van Voorhis */
XC_MGGA_X_MVS          257 /* MVS exchange of Sun, Perdew, and Ruzsinszky */
XC_GGA_C_PBEFE        258 /* PBE for formation energies                         */
XC_LDA_XC_KSDT    259    /* Karasiev et al. parametrization */
XC_MGGA_X_MN15_L        260 /* MN15-L exhange functional from Minnesota           */
XC_MGGA_C_MN15_L      261 /* MN15-L correlation functional from Minnesota  */
XC_GGA_C_OP_PW91    262 /* one-parameter progressive functional (PW91 version)  */
XC_MGGA_X_SCAN          263 /* SCAN exchange of Sun, Ruzsinszky, and Perdew  */
XC_HYB_MGGA_X_SCAN0     264 /* SCAN hybrid exchange */
XC_GGA_X_PBEFE        265 /* PBE for formation energies                     */
XC_HYB_GGA_XC_B97_1p  266 /* version of B97 by Cohen and Handy        */
XC_MGGA_C_SCAN          267 /* SCAN correlation */
XC_HYB_MGGA_X_MN15      268 /* MN15 hybrid exchange functional from Minnesota     */
XC_MGGA_C_MN15        269 /* MN15 correlation functional from Minnesota    */
XC_GGA_X_CAP         270 /* Correct Asymptotic Potential */
XC_GGA_X_EB88         271 /* Non-empirical (excogitated) B88 functional of Becke and Elliott */
XC_GGA_C_PBE_MOL      272 /* Del Campo, Gazquez, Trickey and Vela (PBE-like)    */
XC_HYB_GGA_XC_PBE_MOL0  273 /* PBEmol0             */
XC_HYB_GGA_XC_PBE_SOL0  274 /* PBEsol0             */
XC_HYB_GGA_XC_PBEB0     275 /* PBEbeta0            */
XC_HYB_GGA_XC_PBE_MOLB0 276 /* PBEmolbeta0         */
XC_GGA_K_ABSP3         277 /* gamma-TFvW form by Acharya et al [g = 1 - 1.513/N^0.35] */
XC_GGA_K_ABSP4         278 /* gamma-TFvW form by Acharya et al [g = l = 1/(1 + 1.332/N^(1/3))] */
XC_HYB_MGGA_X_BMK         279 /* Boese-Martin for kinetics     */
XC_GGA_C_BMK          280 /* Boese-Martin for kinetics                */
XC_GGA_C_TAU_HCTH     281 /* correlation part of tau-hcth             */
XC_HYB_MGGA_X_TAU_HCTH    282 /* Hybrid version of tau-HCTH    */
XC_GGA_C_HYB_TAU_HCTH 283 /* correlation part of hyb_tau-hcth         */
XC_MGGA_X_B00          284 /* Becke 2000 */
XC_GGA_X_BEEFVDW          285 /* BEEF-vdW exchange */
XC_GGA_XC_BEEFVDW         286 /* BEEF-vdW exchange-correlation */
XC_LDA_C_CHACHIYO  287   /* Chachiyo simple 2 parameter correlation   */
XC_LDA_C_LP96      289   /* Liu-Parr correlation */
XC_HYB_GGA_XC_PBE50     290 /* PBE0 with 50% exx   */
XC_GGA_X_PBETRANS  291 /* Gradient-based interpolation between PBE and revPBE */
XC_MGGA_C_SCAN_RVV10    292 /* SCAN correlation + rVV10 correlation */
XC_MGGA_X_REVM06_L      293 /* revised M06-L exchange functional from Minnesota  */
XC_MGGA_C_REVM06_L      294 /* Revised M06-L correlation functional from Minnesota  */
XC_HYB_MGGA_X_M08_HX   295 /* M08-HX exchange functional from Minnesota  */
XC_HYB_MGGA_X_M08_SO   296 /* M08-SO exchange functional from Minnesota  */
XC_HYB_MGGA_X_M11          297 /* M11 hybrid exchange functional from Minnesota        */
XC_GGA_X_CHACHIYO     298 /* Chachiyo exchange */
XC_HYB_GGA_XC_B3PW91        401 /* The original (ACM) hybrid of Becke    */
XC_HYB_GGA_XC_B3LYP         402 /* The (in)famous B3LYP                  */
XC_HYB_GGA_XC_B3P86         403 /* Perdew 86 hybrid similar to B3PW91    */
XC_HYB_GGA_XC_O3LYP   404 /* hybrid using the optx functional */
XC_HYB_GGA_XC_MPW1K     405  /* mixture of mPW91 and PW91 optimized for kinetics */
XC_HYB_GGA_XC_PBEH      406 /* aka PBE0 or PBE1PBE */
XC_HYB_GGA_XC_B97     407 /* Becke 97                                 */
XC_HYB_GGA_XC_B97_1   408 /* Becke 97-1                               */
XC_HYB_GGA_XC_B97_2   410 /* Becke 97-2                               */
XC_HYB_GGA_XC_X3LYP   411 /* hybrid by Xu and Goddard */
XC_HYB_GGA_XC_B1WC      412  /* Becke 1-parameter mixture of WC and PBE          */
XC_HYB_GGA_XC_B97_K   413 /* Boese-Martin for Kinetics                */
XC_HYB_GGA_XC_B97_3   414 /* Becke 97-3                               */
XC_HYB_GGA_XC_MPW3PW        415 /* mixture with the mPW functional       */
XC_HYB_GGA_XC_B1LYP     416  /* Becke 1-parameter mixture of B88 and LYP         */
XC_HYB_GGA_XC_B1PW91    417  /* Becke 1-parameter mixture of B88 and PW91        */
XC_HYB_GGA_XC_MPW1PW    418  /* Becke 1-parameter mixture of mPW91 and PW91      */
XC_HYB_GGA_XC_MPW3LYP       419 /* mixture of mPW and LYP                */
XC_HYB_GGA_XC_SB98_1a 420 /* Schmider-Becke 98 parameterization 1a    */
XC_HYB_GGA_XC_SB98_1b 421 /* Schmider-Becke 98 parameterization 1b    */
XC_HYB_GGA_XC_SB98_1c 422 /* Schmider-Becke 98 parameterization 1c    */
XC_HYB_GGA_XC_SB98_2a 423 /* Schmider-Becke 98 parameterization 2a    */
XC_HYB_GGA_XC_SB98_2b 424 /* Schmider-Becke 98 parameterization 2b    */
XC_HYB_GGA_XC_SB98_2c 425 /* Schmider-Becke 98 parameterization 2c    */
XC_HYB_GGA_X_SOGGA11_X  426 /* Hybrid based on SOGGA11 form */
XC_HYB_GGA_XC_CAM_B3LYP        433 /* CAM version of B3LYP */
XC_HYB_GGA_XC_TUNED_CAM_B3LYP  434 /* CAM version of B3LYP tuned for excitations*/
XC_HYB_GGA_XC_BHANDH    435  /* Becke half-and-half                              */
XC_HYB_GGA_XC_BHANDHLYP 436  /* Becke half-and-half with B88 exchange            */
XC_HYB_GGA_XC_MB3LYP_RC04   437 /* B3LYP with RC04 LDA                   */
XC_HYB_MGGA_X_M05      438 /* M05 hybrid exchange functional from Minnesota     */
XC_HYB_MGGA_X_M05_2X   439 /* M05-2X hybrid exchange functional from Minnesota  */
XC_HYB_MGGA_XC_B88B95   440  /* Mixture of B88 with BC95 (B1B95)                             */
XC_HYB_MGGA_XC_B86B95   441  /* Mixture of B86 with BC95                                     */
XC_HYB_MGGA_XC_PW86B95  442  /* Mixture of PW86 with BC95                                    */
XC_HYB_MGGA_XC_BB1K     443  /* Mixture of B88 with BC95 from Zhao and Truhlar               */
XC_HYB_MGGA_X_M06_HF    444 /* M06-HF hybrid exchange functional from Minnesota  */
XC_HYB_MGGA_XC_MPW1B95  445  /* Mixture of mPW91 with BC95 from Zhao and Truhlar             */
XC_HYB_MGGA_XC_MPWB1K   446  /* Mixture of mPW91 with BC95 for kinetics                      */
XC_HYB_MGGA_XC_X1B95    447  /* Mixture of X with BC95                                       */
XC_HYB_MGGA_XC_XB1K     448  /* Mixture of X with BC95 for kinetics                          */
XC_HYB_MGGA_X_M06       449 /* M06 hybrid exchange functional from Minnesota     */
XC_HYB_MGGA_X_M06_2X   450 /* M06-2X hybrid exchange functional from Minnesota  */
XC_HYB_MGGA_XC_PW6B95   451  /* Mixture of PW91 with BC95 from Zhao and Truhlar              */
XC_HYB_MGGA_XC_PWB6K    452  /* Mixture of PW91 with BC95 from Zhao and Truhlar for kinetics */
XC_HYB_GGA_XC_MPWLYP1M  453  /* MPW with 1 par. for metals/LYP                   */
XC_HYB_GGA_XC_REVB3LYP      454 /* Revised B3LYP                         */
XC_HYB_GGA_XC_PBE0_13   456 /* PBE0-1/3            */
XC_HYB_MGGA_XC_TPSSH       457 /*    TPSS hybrid */
XC_HYB_MGGA_XC_REVTPSSH    458 /* revTPSS hybrid */
XC_HYB_GGA_XC_B3LYPs        459 /* B3LYP* functional                     */
XC_HYB_GGA_XC_WB97    463 /* Chai and Head-Gordon                     */
XC_HYB_GGA_XC_WB97X   464 /* Chai and Head-Gordon                     */
XC_HYB_GGA_XC_WB97X_V 466 /* Mardirossian and Head-Gordon             */
XC_HYB_GGA_XC_LC_VV10  469 /* Vydrov and Van Voorhis */
XC_HYB_GGA_XC_CAMY_B3LYP        470 /* B3LYP with Yukawa screening */
XC_HYB_GGA_XC_WB97X_D 471 /* Chai and Head-Gordon                     */
XC_HYB_GGA_XC_HPBEINT   472 /* hPBEint             */
XC_HYB_MGGA_X_MVSH     474 /* MVSh hybrid */
XC_HYB_GGA_XC_B3LYP5        475 /* B3LYP with VWN functional 5 instead of RPA */
XC_HYB_GGA_XC_EDF2        476 /* Empirical functional from Lin, George and Gill */
XC_HYB_GGA_XC_CAP0   477 /* Correct Asymptotic Potential hybrid */
XC_HYB_GGA_XC_CAM_QTP_01       482 /* CAM-QTP(01)
XC_HYB_GGA_XC_MPW1LYP   483  /* Becke 1-parameter mixture of mPW91 and LYP       */
XC_HYB_GGA_XC_MPW1PBE   484  /* Becke 1-parameter mixture of mPW91 and PBE       */
XC_HYB_GGA_XC_KMLYP         485 /* Kang-Musgrave hybrid                  */
XC_GGA_K_VW            500 /* von Weiszaecker functional */
XC_GGA_K_GE2           501 /* Second-order gradient expansion (l = 1/9) */
XC_GGA_K_GOLDEN        502 /* TF-lambda-vW form by Golden (l = 13/45) */
XC_GGA_K_YT65          503 /* TF-lambda-vW form by Yonei and Tomishima (l = 1/5) */
XC_GGA_K_BALTIN        504 /* TF-lambda-vW form by Baltin (l = 5/9) */
XC_GGA_K_LIEB          505 /* TF-lambda-vW form by Lieb (l = 0.185909191) */
XC_GGA_K_ABSP1         506 /* gamma-TFvW form by Acharya et al [g = 1 - 1.412/N^(1/3)] */
XC_GGA_K_ABSP2         507 /* gamma-TFvW form by Acharya et al [g = 1 - 1.332/N^(1/3)] */
XC_GGA_K_GR            508 /* gamma-TFvW form by Gazquez and Robles */
XC_GGA_K_LUDENA        509 /* gamma-TFvW form by Ludena */
XC_GGA_K_GP85          510 /* gamma-TFvW form by Ghosh and Parr */
XC_GGA_K_PEARSON          511 /* Pearson */
XC_GGA_K_OL1          512 /* Ou-Yang and Levy v.1 */
XC_GGA_K_OL2          513 /* Ou-Yang and Levy v.2 */
XC_GGA_K_FR_B88       514 /* Fuentealba & Reyes (B88 version) */
XC_GGA_K_FR_PW86      515 /* Fuentealba & Reyes (PW86 version) */
XC_GGA_K_DK          516 /* DePristo and Kress                    */
XC_GGA_K_PERDEW      517 /* Perdew                                */
XC_GGA_K_VSK         518 /* Vitos, Skriver, and Kollar            */
XC_GGA_K_VJKS        519 /* Vitos, Johansson, Kollar, and Skriver */
XC_GGA_K_ERNZERHOF   520 /* Ernzerhof */
XC_GGA_K_LC94         521 /* Lembarki & Chermette */
XC_GGA_K_LLP          522 /* Lee, Lee & Parr */
XC_GGA_K_THAKKAR      523 /* Thakkar 1992 */
XC_GGA_X_WPBEH 524 /* short-range version of the PBE */
XC_GGA_X_HJS_PBE     525 /* HJS screened exchange PBE version */
XC_GGA_X_HJS_PBE_SOL 526 /* HJS screened exchange PBE_SOL version */
XC_GGA_X_HJS_B88     527 /* HJS screened exchange B88 version */
XC_GGA_X_HJS_B97X    528 /* HJS screened exchange B97x version */
XC_GGA_X_ITYH 529 /* short-range recipe for exchange GGA functionals */
XC_GGA_X_SFAT 530 /* short-range recipe for exchange GGA functionals */
XC_HYB_MGGA_XC_WB97M_V   531 /* Mardirossian and Head-Gordon */
XC_LDA_X_REL   532   /* Relativistic exchange        */
XC_GGA_X_SG4         533 /* Semiclassical GGA at fourth order */
XC_GGA_C_SG4          534 /* Semiclassical GGA at fourth order                  */
XC_GGA_X_GG99   535 /* Gilbert and Gill 1999 */
XC_LDA_XC_1D_EHWLRG_1     536 /* LDA constructed from slab-like systems of 1 electron  */
XC_LDA_XC_1D_EHWLRG_2     537 /* LDA constructed from slab-like systems of 2 electrons */
XC_LDA_XC_1D_EHWLRG_3     538 /* LDA constructed from slab-like systems of 3 electrons */
XC_GGA_X_PBEpow         539 /* PBE power */
XC_MGGA_X_TM          540 /* Tao and Mo 2016 */
XC_MGGA_X_VT84          541 /* meta-GGA version of VT{8,4} GGA */
XC_MGGA_X_SA_TPSS          542 /* TPSS with correct surface asymptotics */
XC_MGGA_K_PC07          543 /* Perdew and Constantin 2007 */
XC_GGA_X_KGG99  544 /* Gilbert and Gill 1999 (mixed) */
XC_GGA_XC_HLE16       545 /* high local exchange 2016                 */
XC_LDA_X_ERF   546   /* Attenuated exchange LDA (erf) */
XC_LDA_XC_LP_A   547   /* Lee-Parr reparametrization B */
XC_LDA_XC_LP_B   548   /* Lee-Parr reparametrization B */
XC_LDA_X_RAE   549   /* Rae self-energy corrected exchange  */
XC_LDA_K_ZLP     550   /* kinetic energy version of ZLP */
XC_LDA_C_MCWEENY 551   /* McWeeny 76 */
XC_LDA_C_BR78    552   /* Brual & Rothstein 78 */
XC_GGA_C_SCAN_E0        553 /* GGA component of SCAN */
XC_LDA_C_PK09   554   /* Proynov and Kong 2009 */
XC_GGA_C_GAPC  555 /* GapC */
XC_GGA_C_GAPLOC  556 /* Gaploc */
XC_GGA_C_ZVPBEINT       557 /* another spin-dependent correction to PBEint       */
XC_GGA_C_ZVPBESOL       558 /* another spin-dependent correction to PBEsol       */
XC_GGA_C_TM_LYP 559  /* Takkar and McCarthy reparametrization */
XC_GGA_C_TM_PBE       560  /* Thakkar and McCarthy reparametrization */
XC_GGA_C_W94 561 /* Wilson 94 (Eq. 25) */
XC_MGGA_C_KCIS         562 /* Krieger, Chen, Iafrate, and Savin */
XC_HYB_MGGA_XC_B0KCIS  563 /* Hybrid based on KCIS */
XC_MGGA_XC_LP90          564 /* Lee & Parr, Eq. (56) */
XC_GGA_C_CS1          565 /* A dynamical correlation functional */
XC_HYB_MGGA_XC_MPW1KCIS    566 /* Modified Perdew-Wang + KCIS hybrid */
XC_HYB_MGGA_XC_MPWKCIS1K   567 /* Modified Perdew-Wang + KCIS hybrid with more exact exchange */
XC_HYB_MGGA_XC_PBE1KCIS    568 /* Perdew-Burke-Ernzerhof + KCIS hybrid */
XC_HYB_MGGA_XC_TPSS1KCIS   569 /* TPSS hybrid with KCIS correlation */
XC_GGA_X_B88M         570 /* Becke 88 reoptimized to be used with mgga_c_tau1 */
XC_MGGA_C_B88          571 /* Meta-GGA correlation by Becke */
XC_HYB_GGA_XC_B5050LYP      572 /* Like B3LYP but more exact exchange    */
XC_LDA_C_OW_LYP  573   /* Wigner with corresponding LYP parameters */
XC_LDA_C_OW      574   /* Optimized Wigner */
XC_MGGA_X_GX          575 /* GX functional of Loos */
XC_MGGA_X_PBE_GX          576 /* PBE-GX functional of Loos */
XC_LDA_XC_GDSMFB  577    /* Groth et al. parametrization */
XC_LDA_C_GK72  578   /* Gordon and Kim 1972 */
XC_LDA_C_KARASIEV  579   /* Karasiev reparameterization of Chachiyo   */
XC_LDA_K_LP96      580   /* Liu-Parr kinetic */
XC_MGGA_X_REVSCAN       581 /* revised SCAN */
XC_MGGA_C_REVSCAN       582 /* revised SCAN correlation */
XC_HYB_MGGA_X_REVSCAN0  583 /* revised SCAN hybrid exchange */
XC_MGGA_C_SCAN_VV10     584 /* SCAN correlation +  VV10 correlation */
XC_MGGA_C_REVSCAN_VV10  585 /* revised SCAN correlation */
XC_MGGA_X_BR89_EXPLICIT  586 /* Becke-Roussel 89 with an explicit inversion of x(y) */
XC_GGA_K_PBE3         595 /* Three parameter PBE-like expansion             */
XC_GGA_K_PBE4         596 /* Four  parameter PBE-like expansion             */
XC_GGA_K_EXP4          597 /* Intermediate form between PBE3 and PBE4 */
XC_HYB_MGGA_XC_B98         598 /* Becke 98 */

As this is a part of the libXC source code, please note that this library is release under MPL 2.0: https://www.mozilla.org/en-US/MPL/2.0/

Uwe