Source code for atomate2.cp2k.schemas.calc_types.enums

"""
Autogenerated Enums for CP2K RunType, TaskType, and CalcType.

Do not edit this by hand. Edit generate.py or run_types.yaml instead.
"""

from emmet.core.utils import ValueEnum


[docs] class RunType(ValueEnum): """ CP2K calculation run types. """ PADE = "PADE" PADE_U = "PADE+U" PADE_RVV10 = "PADE-RVV10" PADE_RVV10_U = "PADE-RVV10+U" PADE_LMKLL = "PADE-LMKLL" PADE_LMKLL_U = "PADE-LMKLL+U" PADE_DRSLL = "PADE-DRSLL" PADE_DRSLL_U = "PADE-DRSLL+U" PADE_D3 = "PADE-D3" PADE_D3_U = "PADE-D3+U" PADE_D2 = "PADE-D2" PADE_D2_U = "PADE-D2+U" PADE_D3_BJ = "PADE-D3(BJ)" PADE_D3_BJ_U = "PADE-D3(BJ)+U" PBE = "PBE" PBE_U = "PBE+U" PBE_RVV10 = "PBE-RVV10" PBE_RVV10_U = "PBE-RVV10+U" PBE_LMKLL = "PBE-LMKLL" PBE_LMKLL_U = "PBE-LMKLL+U" PBE_DRSLL = "PBE-DRSLL" PBE_DRSLL_U = "PBE-DRSLL+U" PBE_D3 = "PBE-D3" PBE_D3_U = "PBE-D3+U" PBE_D2 = "PBE-D2" PBE_D2_U = "PBE-D2+U" PBE_D3_BJ = "PBE-D3(BJ)" PBE_D3_BJ_U = "PBE-D3(BJ)+U" PBEsol = "PBEsol" PBEsol_U = "PBEsol+U" PBEsol_RVV10 = "PBEsol-RVV10" PBEsol_RVV10_U = "PBEsol-RVV10+U" PBEsol_LMKLL = "PBEsol-LMKLL" PBEsol_LMKLL_U = "PBEsol-LMKLL+U" PBEsol_DRSLL = "PBEsol-DRSLL" PBEsol_DRSLL_U = "PBEsol-DRSLL+U" PBEsol_D3 = "PBEsol-D3" PBEsol_D3_U = "PBEsol-D3+U" PBEsol_D2 = "PBEsol-D2" PBEsol_D2_U = "PBEsol-D2+U" PBEsol_D3_BJ = "PBEsol-D3(BJ)" PBEsol_D3_BJ_U = "PBEsol-D3(BJ)+U" GGA = "GGA" GGA_U = "GGA+U" GGA_RVV10 = "GGA-RVV10" GGA_RVV10_U = "GGA-RVV10+U" GGA_LMKLL = "GGA-LMKLL" GGA_LMKLL_U = "GGA-LMKLL+U" GGA_DRSLL = "GGA-DRSLL" GGA_DRSLL_U = "GGA-DRSLL+U" GGA_D3 = "GGA-D3" GGA_D3_U = "GGA-D3+U" GGA_D2 = "GGA-D2" GGA_D2_U = "GGA-D2+U" GGA_D3_BJ = "GGA-D3(BJ)" GGA_D3_BJ_U = "GGA-D3(BJ)+U" R2SCAN = "R2SCAN" R2SCAN_U = "R2SCAN+U" R2SCAN_RVV10 = "R2SCAN-RVV10" R2SCAN_RVV10_U = "R2SCAN-RVV10+U" R2SCAN_LMKLL = "R2SCAN-LMKLL" R2SCAN_LMKLL_U = "R2SCAN-LMKLL+U" R2SCAN_DRSLL = "R2SCAN-DRSLL" R2SCAN_DRSLL_U = "R2SCAN-DRSLL+U" R2SCAN_D3 = "R2SCAN-D3" R2SCAN_D3_U = "R2SCAN-D3+U" R2SCAN_D2 = "R2SCAN-D2" R2SCAN_D2_U = "R2SCAN-D2+U" R2SCAN_D3_BJ = "R2SCAN-D3(BJ)" R2SCAN_D3_BJ_U = "R2SCAN-D3(BJ)+U" METAGGA = "METAGGA" METAGGA_U = "METAGGA+U" METAGGA_RVV10 = "METAGGA-RVV10" METAGGA_RVV10_U = "METAGGA-RVV10+U" METAGGA_LMKLL = "METAGGA-LMKLL" METAGGA_LMKLL_U = "METAGGA-LMKLL+U" METAGGA_DRSLL = "METAGGA-DRSLL" METAGGA_DRSLL_U = "METAGGA-DRSLL+U" METAGGA_D3 = "METAGGA-D3" METAGGA_D3_U = "METAGGA-D3+U" METAGGA_D2 = "METAGGA-D2" METAGGA_D2_U = "METAGGA-D2+U" METAGGA_D3_BJ = "METAGGA-D3(BJ)" METAGGA_D3_BJ_U = "METAGGA-D3(BJ)+U" HYBRID = "HYBRID" HYBRID_U = "HYBRID+U" HYBRID_RVV10 = "HYBRID-RVV10" HYBRID_RVV10_U = "HYBRID-RVV10+U" HYBRID_LMKLL = "HYBRID-LMKLL" HYBRID_LMKLL_U = "HYBRID-LMKLL+U" HYBRID_DRSLL = "HYBRID-DRSLL" HYBRID_DRSLL_U = "HYBRID-DRSLL+U" HYBRID_D3 = "HYBRID-D3" HYBRID_D3_U = "HYBRID-D3+U" HYBRID_D2 = "HYBRID-D2" HYBRID_D2_U = "HYBRID-D2+U" HYBRID_D3_BJ = "HYBRID-D3(BJ)" HYBRID_D3_BJ_U = "HYBRID-D3(BJ)+U" HSE06 = "HSE06" HSE06_U = "HSE06+U" HSE06_RVV10 = "HSE06-RVV10" HSE06_RVV10_U = "HSE06-RVV10+U" HSE06_LMKLL = "HSE06-LMKLL" HSE06_LMKLL_U = "HSE06-LMKLL+U" HSE06_DRSLL = "HSE06-DRSLL" HSE06_DRSLL_U = "HSE06-DRSLL+U" HSE06_D3 = "HSE06-D3" HSE06_D3_U = "HSE06-D3+U" HSE06_D2 = "HSE06-D2" HSE06_D2_U = "HSE06-D2+U" HSE06_D3_BJ = "HSE06-D3(BJ)" HSE06_D3_BJ_U = "HSE06-D3(BJ)+U" PBE0 = "PBE0" PBE0_U = "PBE0+U" PBE0_RVV10 = "PBE0-RVV10" PBE0_RVV10_U = "PBE0-RVV10+U" PBE0_LMKLL = "PBE0-LMKLL" PBE0_LMKLL_U = "PBE0-LMKLL+U" PBE0_DRSLL = "PBE0-DRSLL" PBE0_DRSLL_U = "PBE0-DRSLL+U" PBE0_D3 = "PBE0-D3" PBE0_D3_U = "PBE0-D3+U" PBE0_D2 = "PBE0-D2" PBE0_D2_U = "PBE0-D2+U" PBE0_D3_BJ = "PBE0-D3(BJ)" PBE0_D3_BJ_U = "PBE0-D3(BJ)+U" RSH = "RSH" RSH_U = "RSH+U" RSH_RVV10 = "RSH-RVV10" RSH_RVV10_U = "RSH-RVV10+U" RSH_LMKLL = "RSH-LMKLL" RSH_LMKLL_U = "RSH-LMKLL+U" RSH_DRSLL = "RSH-DRSLL" RSH_DRSLL_U = "RSH-DRSLL+U" RSH_D3 = "RSH-D3" RSH_D3_U = "RSH-D3+U" RSH_D2 = "RSH-D2" RSH_D2_U = "RSH-D2+U" RSH_D3_BJ = "RSH-D3(BJ)" RSH_D3_BJ_U = "RSH-D3(BJ)+U"
[docs] class TaskType(ValueEnum): """ CP2K calculation task types. """ Static = "Static" Structure_Optimization = "Structure Optimization" Constrained_Structure_Optimization = "Constrained Structure Optimization" Molecular_Dynamics = "Molecular Dynamics" NSCF_Line = "NSCF Line" NSCF_Uniform = "NSCF Uniform" Unrecognized = "Unrecognized"
[docs] class CalcType(ValueEnum): """ CP2K calculation types. """ PADE_Static = "PADE Static" PADE_Structure_Optimization = "PADE Structure Optimization" PADE_Constrained_Structure_Optimization = "PADE Constrained Structure Optimization" PADE_Molecular_Dynamics = "PADE Molecular Dynamics" PADE_NSCF_Line = "PADE NSCF Line" PADE_NSCF_Uniform = "PADE NSCF Uniform" PADE_Unrecognized = "PADE Unrecognized" PADE_U_Static = "PADE+U Static" PADE_U_Structure_Optimization = "PADE+U Structure Optimization" PADE_U_Constrained_Structure_Optimization = "PADE+U Constrained Structure Optimization" PADE_U_Molecular_Dynamics = "PADE+U Molecular Dynamics" PADE_U_NSCF_Line = "PADE+U NSCF Line" PADE_U_NSCF_Uniform = "PADE+U NSCF Uniform" PADE_U_Unrecognized = "PADE+U Unrecognized" PADE_RVV10_Static = "PADE-RVV10 Static" PADE_RVV10_Structure_Optimization = "PADE-RVV10 Structure Optimization" PADE_RVV10_Constrained_Structure_Optimization = "PADE-RVV10 Constrained Structure Optimization" PADE_RVV10_Molecular_Dynamics = "PADE-RVV10 Molecular Dynamics" PADE_RVV10_NSCF_Line = "PADE-RVV10 NSCF Line" PADE_RVV10_NSCF_Uniform = "PADE-RVV10 NSCF Uniform" PADE_RVV10_Unrecognized = "PADE-RVV10 Unrecognized" PADE_RVV10_U_Static = "PADE-RVV10+U Static" PADE_RVV10_U_Structure_Optimization = "PADE-RVV10+U Structure Optimization" PADE_RVV10_U_Constrained_Structure_Optimization = "PADE-RVV10+U Constrained Structure Optimization" PADE_RVV10_U_Molecular_Dynamics = "PADE-RVV10+U Molecular Dynamics" PADE_RVV10_U_NSCF_Line = "PADE-RVV10+U NSCF Line" PADE_RVV10_U_NSCF_Uniform = "PADE-RVV10+U NSCF Uniform" PADE_RVV10_U_Unrecognized = "PADE-RVV10+U Unrecognized" PADE_LMKLL_Static = "PADE-LMKLL Static" PADE_LMKLL_Structure_Optimization = "PADE-LMKLL Structure Optimization" PADE_LMKLL_Constrained_Structure_Optimization = "PADE-LMKLL Constrained Structure Optimization" PADE_LMKLL_Molecular_Dynamics = "PADE-LMKLL Molecular Dynamics" PADE_LMKLL_NSCF_Line = "PADE-LMKLL NSCF Line" PADE_LMKLL_NSCF_Uniform = "PADE-LMKLL NSCF Uniform" PADE_LMKLL_Unrecognized = "PADE-LMKLL Unrecognized" PADE_LMKLL_U_Static = "PADE-LMKLL+U Static" PADE_LMKLL_U_Structure_Optimization = "PADE-LMKLL+U Structure Optimization" PADE_LMKLL_U_Constrained_Structure_Optimization = "PADE-LMKLL+U Constrained Structure Optimization" PADE_LMKLL_U_Molecular_Dynamics = "PADE-LMKLL+U Molecular Dynamics" PADE_LMKLL_U_NSCF_Line = "PADE-LMKLL+U NSCF Line" PADE_LMKLL_U_NSCF_Uniform = "PADE-LMKLL+U NSCF Uniform" PADE_LMKLL_U_Unrecognized = "PADE-LMKLL+U Unrecognized" PADE_DRSLL_Static = "PADE-DRSLL Static" PADE_DRSLL_Structure_Optimization = "PADE-DRSLL Structure Optimization" PADE_DRSLL_Constrained_Structure_Optimization = "PADE-DRSLL Constrained Structure Optimization" PADE_DRSLL_Molecular_Dynamics = "PADE-DRSLL Molecular Dynamics" PADE_DRSLL_NSCF_Line = "PADE-DRSLL NSCF Line" PADE_DRSLL_NSCF_Uniform = "PADE-DRSLL NSCF Uniform" PADE_DRSLL_Unrecognized = "PADE-DRSLL Unrecognized" PADE_DRSLL_U_Static = "PADE-DRSLL+U Static" PADE_DRSLL_U_Structure_Optimization = "PADE-DRSLL+U Structure Optimization" PADE_DRSLL_U_Constrained_Structure_Optimization = "PADE-DRSLL+U Constrained Structure Optimization" PADE_DRSLL_U_Molecular_Dynamics = "PADE-DRSLL+U Molecular Dynamics" PADE_DRSLL_U_NSCF_Line = "PADE-DRSLL+U NSCF Line" PADE_DRSLL_U_NSCF_Uniform = "PADE-DRSLL+U NSCF Uniform" PADE_DRSLL_U_Unrecognized = "PADE-DRSLL+U Unrecognized" PADE_D3_Static = "PADE-D3 Static" PADE_D3_Structure_Optimization = "PADE-D3 Structure Optimization" PADE_D3_Constrained_Structure_Optimization = "PADE-D3 Constrained Structure Optimization" PADE_D3_Molecular_Dynamics = "PADE-D3 Molecular Dynamics" PADE_D3_NSCF_Line = "PADE-D3 NSCF Line" PADE_D3_NSCF_Uniform = "PADE-D3 NSCF Uniform" PADE_D3_Unrecognized = "PADE-D3 Unrecognized" PADE_D3_U_Static = "PADE-D3+U Static" PADE_D3_U_Structure_Optimization = "PADE-D3+U Structure Optimization" PADE_D3_U_Constrained_Structure_Optimization = "PADE-D3+U Constrained Structure Optimization" PADE_D3_U_Molecular_Dynamics = "PADE-D3+U Molecular Dynamics" PADE_D3_U_NSCF_Line = "PADE-D3+U NSCF Line" PADE_D3_U_NSCF_Uniform = "PADE-D3+U NSCF Uniform" PADE_D3_U_Unrecognized = "PADE-D3+U Unrecognized" PADE_D2_Static = "PADE-D2 Static" PADE_D2_Structure_Optimization = "PADE-D2 Structure Optimization" PADE_D2_Constrained_Structure_Optimization = "PADE-D2 Constrained Structure Optimization" PADE_D2_Molecular_Dynamics = "PADE-D2 Molecular Dynamics" PADE_D2_NSCF_Line = "PADE-D2 NSCF Line" PADE_D2_NSCF_Uniform = "PADE-D2 NSCF Uniform" PADE_D2_Unrecognized = "PADE-D2 Unrecognized" PADE_D2_U_Static = "PADE-D2+U Static" PADE_D2_U_Structure_Optimization = "PADE-D2+U Structure Optimization" PADE_D2_U_Constrained_Structure_Optimization = "PADE-D2+U Constrained Structure Optimization" PADE_D2_U_Molecular_Dynamics = "PADE-D2+U Molecular Dynamics" PADE_D2_U_NSCF_Line = "PADE-D2+U NSCF Line" PADE_D2_U_NSCF_Uniform = "PADE-D2+U NSCF Uniform" PADE_D2_U_Unrecognized = "PADE-D2+U Unrecognized" PADE_D3_BJ_Static = "PADE-D3(BJ) Static" PADE_D3_BJ_Structure_Optimization = "PADE-D3(BJ) Structure Optimization" PADE_D3_BJ_Constrained_Structure_Optimization = "PADE-D3(BJ) Constrained Structure Optimization" PADE_D3_BJ_Molecular_Dynamics = "PADE-D3(BJ) Molecular Dynamics" PADE_D3_BJ_NSCF_Line = "PADE-D3(BJ) NSCF Line" PADE_D3_BJ_NSCF_Uniform = "PADE-D3(BJ) NSCF Uniform" PADE_D3_BJ_Unrecognized = "PADE-D3(BJ) Unrecognized" PADE_D3_BJ_U_Static = "PADE-D3(BJ)+U Static" PADE_D3_BJ_U_Structure_Optimization = "PADE-D3(BJ)+U Structure Optimization" PADE_D3_BJ_U_Constrained_Structure_Optimization = "PADE-D3(BJ)+U Constrained Structure Optimization" PADE_D3_BJ_U_Molecular_Dynamics = "PADE-D3(BJ)+U Molecular Dynamics" PADE_D3_BJ_U_NSCF_Line = "PADE-D3(BJ)+U NSCF Line" PADE_D3_BJ_U_NSCF_Uniform = "PADE-D3(BJ)+U NSCF Uniform" PADE_D3_BJ_U_Unrecognized = "PADE-D3(BJ)+U Unrecognized" PBE_Static = "PBE Static" PBE_Structure_Optimization = "PBE Structure Optimization" PBE_Constrained_Structure_Optimization = "PBE Constrained Structure Optimization" PBE_Molecular_Dynamics = "PBE Molecular Dynamics" PBE_NSCF_Line = "PBE NSCF Line" PBE_NSCF_Uniform = "PBE NSCF Uniform" PBE_Unrecognized = "PBE Unrecognized" PBE_U_Static = "PBE+U Static" PBE_U_Structure_Optimization = "PBE+U Structure Optimization" PBE_U_Constrained_Structure_Optimization = "PBE+U Constrained Structure Optimization" PBE_U_Molecular_Dynamics = "PBE+U Molecular Dynamics" PBE_U_NSCF_Line = "PBE+U NSCF Line" PBE_U_NSCF_Uniform = "PBE+U NSCF Uniform" PBE_U_Unrecognized = "PBE+U Unrecognized" PBE_RVV10_Static = "PBE-RVV10 Static" PBE_RVV10_Structure_Optimization = "PBE-RVV10 Structure Optimization" PBE_RVV10_Constrained_Structure_Optimization = "PBE-RVV10 Constrained Structure Optimization" PBE_RVV10_Molecular_Dynamics = "PBE-RVV10 Molecular Dynamics" PBE_RVV10_NSCF_Line = "PBE-RVV10 NSCF Line" PBE_RVV10_NSCF_Uniform = "PBE-RVV10 NSCF Uniform" PBE_RVV10_Unrecognized = "PBE-RVV10 Unrecognized" PBE_RVV10_U_Static = "PBE-RVV10+U Static" PBE_RVV10_U_Structure_Optimization = "PBE-RVV10+U Structure Optimization" PBE_RVV10_U_Constrained_Structure_Optimization = "PBE-RVV10+U Constrained Structure Optimization" PBE_RVV10_U_Molecular_Dynamics = "PBE-RVV10+U Molecular Dynamics" PBE_RVV10_U_NSCF_Line = "PBE-RVV10+U NSCF Line" PBE_RVV10_U_NSCF_Uniform = "PBE-RVV10+U NSCF Uniform" PBE_RVV10_U_Unrecognized = "PBE-RVV10+U Unrecognized" PBE_LMKLL_Static = "PBE-LMKLL Static" PBE_LMKLL_Structure_Optimization = "PBE-LMKLL Structure Optimization" PBE_LMKLL_Constrained_Structure_Optimization = "PBE-LMKLL Constrained Structure Optimization" PBE_LMKLL_Molecular_Dynamics = "PBE-LMKLL Molecular Dynamics" PBE_LMKLL_NSCF_Line = "PBE-LMKLL NSCF Line" PBE_LMKLL_NSCF_Uniform = "PBE-LMKLL NSCF Uniform" PBE_LMKLL_Unrecognized = "PBE-LMKLL Unrecognized" PBE_LMKLL_U_Static = "PBE-LMKLL+U Static" PBE_LMKLL_U_Structure_Optimization = "PBE-LMKLL+U Structure Optimization" PBE_LMKLL_U_Constrained_Structure_Optimization = "PBE-LMKLL+U Constrained Structure Optimization" PBE_LMKLL_U_Molecular_Dynamics = "PBE-LMKLL+U Molecular Dynamics" PBE_LMKLL_U_NSCF_Line = "PBE-LMKLL+U NSCF Line" PBE_LMKLL_U_NSCF_Uniform = "PBE-LMKLL+U NSCF Uniform" PBE_LMKLL_U_Unrecognized = "PBE-LMKLL+U Unrecognized" PBE_DRSLL_Static = "PBE-DRSLL Static" PBE_DRSLL_Structure_Optimization = "PBE-DRSLL Structure Optimization" PBE_DRSLL_Constrained_Structure_Optimization = "PBE-DRSLL Constrained Structure Optimization" PBE_DRSLL_Molecular_Dynamics = "PBE-DRSLL Molecular Dynamics" PBE_DRSLL_NSCF_Line = "PBE-DRSLL NSCF Line" PBE_DRSLL_NSCF_Uniform = "PBE-DRSLL NSCF Uniform" PBE_DRSLL_Unrecognized = "PBE-DRSLL Unrecognized" PBE_DRSLL_U_Static = "PBE-DRSLL+U Static" PBE_DRSLL_U_Structure_Optimization = "PBE-DRSLL+U Structure Optimization" PBE_DRSLL_U_Constrained_Structure_Optimization = "PBE-DRSLL+U Constrained Structure Optimization" PBE_DRSLL_U_Molecular_Dynamics = "PBE-DRSLL+U Molecular Dynamics" PBE_DRSLL_U_NSCF_Line = "PBE-DRSLL+U NSCF Line" PBE_DRSLL_U_NSCF_Uniform = "PBE-DRSLL+U NSCF Uniform" PBE_DRSLL_U_Unrecognized = "PBE-DRSLL+U Unrecognized" PBE_D3_Static = "PBE-D3 Static" PBE_D3_Structure_Optimization = "PBE-D3 Structure Optimization" PBE_D3_Constrained_Structure_Optimization = "PBE-D3 Constrained Structure Optimization" PBE_D3_Molecular_Dynamics = "PBE-D3 Molecular Dynamics" PBE_D3_NSCF_Line = "PBE-D3 NSCF Line" PBE_D3_NSCF_Uniform = "PBE-D3 NSCF Uniform" PBE_D3_Unrecognized = "PBE-D3 Unrecognized" PBE_D3_U_Static = "PBE-D3+U Static" PBE_D3_U_Structure_Optimization = "PBE-D3+U Structure Optimization" PBE_D3_U_Constrained_Structure_Optimization = "PBE-D3+U Constrained Structure Optimization" PBE_D3_U_Molecular_Dynamics = "PBE-D3+U Molecular Dynamics" PBE_D3_U_NSCF_Line = "PBE-D3+U NSCF Line" PBE_D3_U_NSCF_Uniform = "PBE-D3+U NSCF Uniform" PBE_D3_U_Unrecognized = "PBE-D3+U Unrecognized" PBE_D2_Static = "PBE-D2 Static" PBE_D2_Structure_Optimization = "PBE-D2 Structure Optimization" PBE_D2_Constrained_Structure_Optimization = "PBE-D2 Constrained Structure Optimization" PBE_D2_Molecular_Dynamics = "PBE-D2 Molecular Dynamics" PBE_D2_NSCF_Line = "PBE-D2 NSCF Line" PBE_D2_NSCF_Uniform = "PBE-D2 NSCF Uniform" PBE_D2_Unrecognized = "PBE-D2 Unrecognized" PBE_D2_U_Static = "PBE-D2+U Static" PBE_D2_U_Structure_Optimization = "PBE-D2+U Structure Optimization" PBE_D2_U_Constrained_Structure_Optimization = "PBE-D2+U Constrained Structure Optimization" PBE_D2_U_Molecular_Dynamics = "PBE-D2+U Molecular Dynamics" PBE_D2_U_NSCF_Line = "PBE-D2+U NSCF Line" PBE_D2_U_NSCF_Uniform = "PBE-D2+U NSCF Uniform" PBE_D2_U_Unrecognized = "PBE-D2+U Unrecognized" PBE_D3_BJ_Static = "PBE-D3(BJ) Static" PBE_D3_BJ_Structure_Optimization = "PBE-D3(BJ) Structure Optimization" PBE_D3_BJ_Constrained_Structure_Optimization = "PBE-D3(BJ) Constrained Structure Optimization" PBE_D3_BJ_Molecular_Dynamics = "PBE-D3(BJ) Molecular Dynamics" PBE_D3_BJ_NSCF_Line = "PBE-D3(BJ) NSCF Line" PBE_D3_BJ_NSCF_Uniform = "PBE-D3(BJ) NSCF Uniform" PBE_D3_BJ_Unrecognized = "PBE-D3(BJ) Unrecognized" PBE_D3_BJ_U_Static = "PBE-D3(BJ)+U Static" PBE_D3_BJ_U_Structure_Optimization = "PBE-D3(BJ)+U Structure Optimization" PBE_D3_BJ_U_Constrained_Structure_Optimization = "PBE-D3(BJ)+U Constrained Structure Optimization" PBE_D3_BJ_U_Molecular_Dynamics = "PBE-D3(BJ)+U Molecular Dynamics" PBE_D3_BJ_U_NSCF_Line = "PBE-D3(BJ)+U NSCF Line" PBE_D3_BJ_U_NSCF_Uniform = "PBE-D3(BJ)+U NSCF Uniform" PBE_D3_BJ_U_Unrecognized = "PBE-D3(BJ)+U Unrecognized" PBEsol_Static = "PBEsol Static" PBEsol_Structure_Optimization = "PBEsol Structure Optimization" PBEsol_Constrained_Structure_Optimization = "PBEsol Constrained Structure Optimization" PBEsol_Molecular_Dynamics = "PBEsol Molecular Dynamics" PBEsol_NSCF_Line = "PBEsol NSCF Line" PBEsol_NSCF_Uniform = "PBEsol NSCF Uniform" PBEsol_Unrecognized = "PBEsol Unrecognized" PBEsol_U_Static = "PBEsol+U Static" PBEsol_U_Structure_Optimization = "PBEsol+U Structure Optimization" PBEsol_U_Constrained_Structure_Optimization = "PBEsol+U Constrained Structure Optimization" PBEsol_U_Molecular_Dynamics = "PBEsol+U Molecular Dynamics" PBEsol_U_NSCF_Line = "PBEsol+U NSCF Line" PBEsol_U_NSCF_Uniform = "PBEsol+U NSCF Uniform" PBEsol_U_Unrecognized = "PBEsol+U Unrecognized" PBEsol_RVV10_Static = "PBEsol-RVV10 Static" PBEsol_RVV10_Structure_Optimization = "PBEsol-RVV10 Structure Optimization" PBEsol_RVV10_Constrained_Structure_Optimization = "PBEsol-RVV10 Constrained Structure Optimization" PBEsol_RVV10_Molecular_Dynamics = "PBEsol-RVV10 Molecular Dynamics" PBEsol_RVV10_NSCF_Line = "PBEsol-RVV10 NSCF Line" PBEsol_RVV10_NSCF_Uniform = "PBEsol-RVV10 NSCF Uniform" PBEsol_RVV10_Unrecognized = "PBEsol-RVV10 Unrecognized" PBEsol_RVV10_U_Static = "PBEsol-RVV10+U Static" PBEsol_RVV10_U_Structure_Optimization = "PBEsol-RVV10+U Structure Optimization" PBEsol_RVV10_U_Constrained_Structure_Optimization = "PBEsol-RVV10+U Constrained Structure Optimization" PBEsol_RVV10_U_Molecular_Dynamics = "PBEsol-RVV10+U Molecular Dynamics" PBEsol_RVV10_U_NSCF_Line = "PBEsol-RVV10+U NSCF Line" PBEsol_RVV10_U_NSCF_Uniform = "PBEsol-RVV10+U NSCF Uniform" PBEsol_RVV10_U_Unrecognized = "PBEsol-RVV10+U Unrecognized" PBEsol_LMKLL_Static = "PBEsol-LMKLL Static" PBEsol_LMKLL_Structure_Optimization = "PBEsol-LMKLL Structure Optimization" PBEsol_LMKLL_Constrained_Structure_Optimization = "PBEsol-LMKLL Constrained Structure Optimization" PBEsol_LMKLL_Molecular_Dynamics = "PBEsol-LMKLL Molecular Dynamics" PBEsol_LMKLL_NSCF_Line = "PBEsol-LMKLL NSCF Line" PBEsol_LMKLL_NSCF_Uniform = "PBEsol-LMKLL NSCF Uniform" PBEsol_LMKLL_Unrecognized = "PBEsol-LMKLL Unrecognized" PBEsol_LMKLL_U_Static = "PBEsol-LMKLL+U Static" PBEsol_LMKLL_U_Structure_Optimization = "PBEsol-LMKLL+U Structure Optimization" PBEsol_LMKLL_U_Constrained_Structure_Optimization = "PBEsol-LMKLL+U Constrained Structure Optimization" PBEsol_LMKLL_U_Molecular_Dynamics = "PBEsol-LMKLL+U Molecular Dynamics" PBEsol_LMKLL_U_NSCF_Line = "PBEsol-LMKLL+U NSCF Line" PBEsol_LMKLL_U_NSCF_Uniform = "PBEsol-LMKLL+U NSCF Uniform" PBEsol_LMKLL_U_Unrecognized = "PBEsol-LMKLL+U Unrecognized" PBEsol_DRSLL_Static = "PBEsol-DRSLL Static" PBEsol_DRSLL_Structure_Optimization = "PBEsol-DRSLL Structure Optimization" PBEsol_DRSLL_Constrained_Structure_Optimization = "PBEsol-DRSLL Constrained Structure Optimization" PBEsol_DRSLL_Molecular_Dynamics = "PBEsol-DRSLL Molecular Dynamics" PBEsol_DRSLL_NSCF_Line = "PBEsol-DRSLL NSCF Line" PBEsol_DRSLL_NSCF_Uniform = "PBEsol-DRSLL NSCF Uniform" PBEsol_DRSLL_Unrecognized = "PBEsol-DRSLL Unrecognized" PBEsol_DRSLL_U_Static = "PBEsol-DRSLL+U Static" PBEsol_DRSLL_U_Structure_Optimization = "PBEsol-DRSLL+U Structure Optimization" PBEsol_DRSLL_U_Constrained_Structure_Optimization = "PBEsol-DRSLL+U Constrained Structure Optimization" PBEsol_DRSLL_U_Molecular_Dynamics = "PBEsol-DRSLL+U Molecular Dynamics" PBEsol_DRSLL_U_NSCF_Line = "PBEsol-DRSLL+U NSCF Line" PBEsol_DRSLL_U_NSCF_Uniform = "PBEsol-DRSLL+U NSCF Uniform" PBEsol_DRSLL_U_Unrecognized = "PBEsol-DRSLL+U Unrecognized" PBEsol_D3_Static = "PBEsol-D3 Static" PBEsol_D3_Structure_Optimization = "PBEsol-D3 Structure Optimization" PBEsol_D3_Constrained_Structure_Optimization = "PBEsol-D3 Constrained Structure Optimization" PBEsol_D3_Molecular_Dynamics = "PBEsol-D3 Molecular Dynamics" PBEsol_D3_NSCF_Line = "PBEsol-D3 NSCF Line" PBEsol_D3_NSCF_Uniform = "PBEsol-D3 NSCF Uniform" PBEsol_D3_Unrecognized = "PBEsol-D3 Unrecognized" PBEsol_D3_U_Static = "PBEsol-D3+U Static" PBEsol_D3_U_Structure_Optimization = "PBEsol-D3+U Structure Optimization" PBEsol_D3_U_Constrained_Structure_Optimization = "PBEsol-D3+U Constrained Structure Optimization" PBEsol_D3_U_Molecular_Dynamics = "PBEsol-D3+U Molecular Dynamics" PBEsol_D3_U_NSCF_Line = "PBEsol-D3+U NSCF Line" PBEsol_D3_U_NSCF_Uniform = "PBEsol-D3+U NSCF Uniform" PBEsol_D3_U_Unrecognized = "PBEsol-D3+U Unrecognized" PBEsol_D2_Static = "PBEsol-D2 Static" PBEsol_D2_Structure_Optimization = "PBEsol-D2 Structure Optimization" PBEsol_D2_Constrained_Structure_Optimization = "PBEsol-D2 Constrained Structure Optimization" PBEsol_D2_Molecular_Dynamics = "PBEsol-D2 Molecular Dynamics" PBEsol_D2_NSCF_Line = "PBEsol-D2 NSCF Line" PBEsol_D2_NSCF_Uniform = "PBEsol-D2 NSCF Uniform" PBEsol_D2_Unrecognized = "PBEsol-D2 Unrecognized" PBEsol_D2_U_Static = "PBEsol-D2+U Static" PBEsol_D2_U_Structure_Optimization = "PBEsol-D2+U Structure Optimization" PBEsol_D2_U_Constrained_Structure_Optimization = "PBEsol-D2+U Constrained Structure Optimization" PBEsol_D2_U_Molecular_Dynamics = "PBEsol-D2+U Molecular Dynamics" PBEsol_D2_U_NSCF_Line = "PBEsol-D2+U NSCF Line" PBEsol_D2_U_NSCF_Uniform = "PBEsol-D2+U NSCF Uniform" PBEsol_D2_U_Unrecognized = "PBEsol-D2+U Unrecognized" PBEsol_D3_BJ_Static = "PBEsol-D3(BJ) Static" PBEsol_D3_BJ_Structure_Optimization = "PBEsol-D3(BJ) Structure Optimization" PBEsol_D3_BJ_Constrained_Structure_Optimization = "PBEsol-D3(BJ) Constrained Structure Optimization" PBEsol_D3_BJ_Molecular_Dynamics = "PBEsol-D3(BJ) Molecular Dynamics" PBEsol_D3_BJ_NSCF_Line = "PBEsol-D3(BJ) NSCF Line" PBEsol_D3_BJ_NSCF_Uniform = "PBEsol-D3(BJ) NSCF Uniform" PBEsol_D3_BJ_Unrecognized = "PBEsol-D3(BJ) Unrecognized" PBEsol_D3_BJ_U_Static = "PBEsol-D3(BJ)+U Static" PBEsol_D3_BJ_U_Structure_Optimization = "PBEsol-D3(BJ)+U Structure Optimization" PBEsol_D3_BJ_U_Constrained_Structure_Optimization = "PBEsol-D3(BJ)+U Constrained Structure Optimization" PBEsol_D3_BJ_U_Molecular_Dynamics = "PBEsol-D3(BJ)+U Molecular Dynamics" PBEsol_D3_BJ_U_NSCF_Line = "PBEsol-D3(BJ)+U NSCF Line" PBEsol_D3_BJ_U_NSCF_Uniform = "PBEsol-D3(BJ)+U NSCF Uniform" PBEsol_D3_BJ_U_Unrecognized = "PBEsol-D3(BJ)+U Unrecognized" GGA_Static = "GGA Static" GGA_Structure_Optimization = "GGA Structure Optimization" GGA_Constrained_Structure_Optimization = "GGA Constrained Structure Optimization" GGA_Molecular_Dynamics = "GGA Molecular Dynamics" GGA_NSCF_Line = "GGA NSCF Line" GGA_NSCF_Uniform = "GGA NSCF Uniform" GGA_Unrecognized = "GGA Unrecognized" GGA_U_Static = "GGA+U Static" GGA_U_Structure_Optimization = "GGA+U Structure Optimization" GGA_U_Constrained_Structure_Optimization = "GGA+U Constrained Structure Optimization" GGA_U_Molecular_Dynamics = "GGA+U Molecular Dynamics" GGA_U_NSCF_Line = "GGA+U NSCF Line" GGA_U_NSCF_Uniform = "GGA+U NSCF Uniform" GGA_U_Unrecognized = "GGA+U Unrecognized" GGA_RVV10_Static = "GGA-RVV10 Static" GGA_RVV10_Structure_Optimization = "GGA-RVV10 Structure Optimization" GGA_RVV10_Constrained_Structure_Optimization = "GGA-RVV10 Constrained Structure Optimization" GGA_RVV10_Molecular_Dynamics = "GGA-RVV10 Molecular Dynamics" GGA_RVV10_NSCF_Line = "GGA-RVV10 NSCF Line" GGA_RVV10_NSCF_Uniform = "GGA-RVV10 NSCF Uniform" GGA_RVV10_Unrecognized = "GGA-RVV10 Unrecognized" GGA_RVV10_U_Static = "GGA-RVV10+U Static" GGA_RVV10_U_Structure_Optimization = "GGA-RVV10+U Structure Optimization" GGA_RVV10_U_Constrained_Structure_Optimization = "GGA-RVV10+U Constrained Structure Optimization" GGA_RVV10_U_Molecular_Dynamics = "GGA-RVV10+U Molecular Dynamics" GGA_RVV10_U_NSCF_Line = "GGA-RVV10+U NSCF Line" GGA_RVV10_U_NSCF_Uniform = "GGA-RVV10+U NSCF Uniform" GGA_RVV10_U_Unrecognized = "GGA-RVV10+U Unrecognized" GGA_LMKLL_Static = "GGA-LMKLL Static" GGA_LMKLL_Structure_Optimization = "GGA-LMKLL Structure Optimization" GGA_LMKLL_Constrained_Structure_Optimization = "GGA-LMKLL Constrained Structure Optimization" GGA_LMKLL_Molecular_Dynamics = "GGA-LMKLL Molecular Dynamics" GGA_LMKLL_NSCF_Line = "GGA-LMKLL NSCF Line" GGA_LMKLL_NSCF_Uniform = "GGA-LMKLL NSCF Uniform" GGA_LMKLL_Unrecognized = "GGA-LMKLL Unrecognized" GGA_LMKLL_U_Static = "GGA-LMKLL+U Static" GGA_LMKLL_U_Structure_Optimization = "GGA-LMKLL+U Structure Optimization" GGA_LMKLL_U_Constrained_Structure_Optimization = "GGA-LMKLL+U Constrained Structure Optimization" GGA_LMKLL_U_Molecular_Dynamics = "GGA-LMKLL+U Molecular Dynamics" GGA_LMKLL_U_NSCF_Line = "GGA-LMKLL+U NSCF Line" GGA_LMKLL_U_NSCF_Uniform = "GGA-LMKLL+U NSCF Uniform" GGA_LMKLL_U_Unrecognized = "GGA-LMKLL+U Unrecognized" GGA_DRSLL_Static = "GGA-DRSLL Static" GGA_DRSLL_Structure_Optimization = "GGA-DRSLL Structure Optimization" GGA_DRSLL_Constrained_Structure_Optimization = "GGA-DRSLL Constrained Structure Optimization" GGA_DRSLL_Molecular_Dynamics = "GGA-DRSLL Molecular Dynamics" GGA_DRSLL_NSCF_Line = "GGA-DRSLL NSCF Line" GGA_DRSLL_NSCF_Uniform = "GGA-DRSLL NSCF Uniform" GGA_DRSLL_Unrecognized = "GGA-DRSLL Unrecognized" GGA_DRSLL_U_Static = "GGA-DRSLL+U Static" GGA_DRSLL_U_Structure_Optimization = "GGA-DRSLL+U Structure Optimization" GGA_DRSLL_U_Constrained_Structure_Optimization = "GGA-DRSLL+U Constrained Structure Optimization" GGA_DRSLL_U_Molecular_Dynamics = "GGA-DRSLL+U Molecular Dynamics" GGA_DRSLL_U_NSCF_Line = "GGA-DRSLL+U NSCF Line" GGA_DRSLL_U_NSCF_Uniform = "GGA-DRSLL+U NSCF Uniform" GGA_DRSLL_U_Unrecognized = "GGA-DRSLL+U Unrecognized" GGA_D3_Static = "GGA-D3 Static" GGA_D3_Structure_Optimization = "GGA-D3 Structure Optimization" GGA_D3_Constrained_Structure_Optimization = "GGA-D3 Constrained Structure Optimization" GGA_D3_Molecular_Dynamics = "GGA-D3 Molecular Dynamics" GGA_D3_NSCF_Line = "GGA-D3 NSCF Line" GGA_D3_NSCF_Uniform = "GGA-D3 NSCF Uniform" GGA_D3_Unrecognized = "GGA-D3 Unrecognized" GGA_D3_U_Static = "GGA-D3+U Static" GGA_D3_U_Structure_Optimization = "GGA-D3+U Structure Optimization" GGA_D3_U_Constrained_Structure_Optimization = "GGA-D3+U Constrained Structure Optimization" GGA_D3_U_Molecular_Dynamics = "GGA-D3+U Molecular Dynamics" GGA_D3_U_NSCF_Line = "GGA-D3+U NSCF Line" GGA_D3_U_NSCF_Uniform = "GGA-D3+U NSCF Uniform" GGA_D3_U_Unrecognized = "GGA-D3+U Unrecognized" GGA_D2_Static = "GGA-D2 Static" GGA_D2_Structure_Optimization = "GGA-D2 Structure Optimization" GGA_D2_Constrained_Structure_Optimization = "GGA-D2 Constrained Structure Optimization" GGA_D2_Molecular_Dynamics = "GGA-D2 Molecular Dynamics" GGA_D2_NSCF_Line = "GGA-D2 NSCF Line" GGA_D2_NSCF_Uniform = "GGA-D2 NSCF Uniform" GGA_D2_Unrecognized = "GGA-D2 Unrecognized" GGA_D2_U_Static = "GGA-D2+U Static" GGA_D2_U_Structure_Optimization = "GGA-D2+U Structure Optimization" GGA_D2_U_Constrained_Structure_Optimization = "GGA-D2+U Constrained Structure Optimization" GGA_D2_U_Molecular_Dynamics = "GGA-D2+U Molecular Dynamics" GGA_D2_U_NSCF_Line = "GGA-D2+U NSCF Line" GGA_D2_U_NSCF_Uniform = "GGA-D2+U NSCF Uniform" GGA_D2_U_Unrecognized = "GGA-D2+U Unrecognized" GGA_D3_BJ_Static = "GGA-D3(BJ) Static" GGA_D3_BJ_Structure_Optimization = "GGA-D3(BJ) Structure Optimization" GGA_D3_BJ_Constrained_Structure_Optimization = "GGA-D3(BJ) Constrained Structure Optimization" GGA_D3_BJ_Molecular_Dynamics = "GGA-D3(BJ) Molecular Dynamics" GGA_D3_BJ_NSCF_Line = "GGA-D3(BJ) NSCF Line" GGA_D3_BJ_NSCF_Uniform = "GGA-D3(BJ) NSCF Uniform" GGA_D3_BJ_Unrecognized = "GGA-D3(BJ) Unrecognized" GGA_D3_BJ_U_Static = "GGA-D3(BJ)+U Static" GGA_D3_BJ_U_Structure_Optimization = "GGA-D3(BJ)+U Structure Optimization" GGA_D3_BJ_U_Constrained_Structure_Optimization = "GGA-D3(BJ)+U Constrained Structure Optimization" GGA_D3_BJ_U_Molecular_Dynamics = "GGA-D3(BJ)+U Molecular Dynamics" GGA_D3_BJ_U_NSCF_Line = "GGA-D3(BJ)+U NSCF Line" GGA_D3_BJ_U_NSCF_Uniform = "GGA-D3(BJ)+U NSCF Uniform" GGA_D3_BJ_U_Unrecognized = "GGA-D3(BJ)+U Unrecognized" R2SCAN_Static = "R2SCAN Static" R2SCAN_Structure_Optimization = "R2SCAN Structure Optimization" R2SCAN_Constrained_Structure_Optimization = "R2SCAN Constrained Structure Optimization" R2SCAN_Molecular_Dynamics = "R2SCAN Molecular Dynamics" R2SCAN_NSCF_Line = "R2SCAN NSCF Line" R2SCAN_NSCF_Uniform = "R2SCAN NSCF Uniform" R2SCAN_Unrecognized = "R2SCAN Unrecognized" R2SCAN_U_Static = "R2SCAN+U Static" R2SCAN_U_Structure_Optimization = "R2SCAN+U Structure Optimization" R2SCAN_U_Constrained_Structure_Optimization = "R2SCAN+U Constrained Structure Optimization" R2SCAN_U_Molecular_Dynamics = "R2SCAN+U Molecular Dynamics" R2SCAN_U_NSCF_Line = "R2SCAN+U NSCF Line" R2SCAN_U_NSCF_Uniform = "R2SCAN+U NSCF Uniform" R2SCAN_U_Unrecognized = "R2SCAN+U Unrecognized" R2SCAN_RVV10_Static = "R2SCAN-RVV10 Static" R2SCAN_RVV10_Structure_Optimization = "R2SCAN-RVV10 Structure Optimization" R2SCAN_RVV10_Constrained_Structure_Optimization = "R2SCAN-RVV10 Constrained Structure Optimization" R2SCAN_RVV10_Molecular_Dynamics = "R2SCAN-RVV10 Molecular Dynamics" R2SCAN_RVV10_NSCF_Line = "R2SCAN-RVV10 NSCF Line" R2SCAN_RVV10_NSCF_Uniform = "R2SCAN-RVV10 NSCF Uniform" R2SCAN_RVV10_Unrecognized = "R2SCAN-RVV10 Unrecognized" R2SCAN_RVV10_U_Static = "R2SCAN-RVV10+U Static" R2SCAN_RVV10_U_Structure_Optimization = "R2SCAN-RVV10+U Structure Optimization" R2SCAN_RVV10_U_Constrained_Structure_Optimization = "R2SCAN-RVV10+U Constrained Structure Optimization" R2SCAN_RVV10_U_Molecular_Dynamics = "R2SCAN-RVV10+U Molecular Dynamics" R2SCAN_RVV10_U_NSCF_Line = "R2SCAN-RVV10+U NSCF Line" R2SCAN_RVV10_U_NSCF_Uniform = "R2SCAN-RVV10+U NSCF Uniform" R2SCAN_RVV10_U_Unrecognized = "R2SCAN-RVV10+U Unrecognized" R2SCAN_LMKLL_Static = "R2SCAN-LMKLL Static" R2SCAN_LMKLL_Structure_Optimization = "R2SCAN-LMKLL Structure Optimization" R2SCAN_LMKLL_Constrained_Structure_Optimization = "R2SCAN-LMKLL Constrained Structure Optimization" R2SCAN_LMKLL_Molecular_Dynamics = "R2SCAN-LMKLL Molecular Dynamics" R2SCAN_LMKLL_NSCF_Line = "R2SCAN-LMKLL NSCF Line" R2SCAN_LMKLL_NSCF_Uniform = "R2SCAN-LMKLL NSCF Uniform" R2SCAN_LMKLL_Unrecognized = "R2SCAN-LMKLL Unrecognized" R2SCAN_LMKLL_U_Static = "R2SCAN-LMKLL+U Static" R2SCAN_LMKLL_U_Structure_Optimization = "R2SCAN-LMKLL+U Structure Optimization" R2SCAN_LMKLL_U_Constrained_Structure_Optimization = "R2SCAN-LMKLL+U Constrained Structure Optimization" R2SCAN_LMKLL_U_Molecular_Dynamics = "R2SCAN-LMKLL+U Molecular Dynamics" R2SCAN_LMKLL_U_NSCF_Line = "R2SCAN-LMKLL+U NSCF Line" R2SCAN_LMKLL_U_NSCF_Uniform = "R2SCAN-LMKLL+U NSCF Uniform" R2SCAN_LMKLL_U_Unrecognized = "R2SCAN-LMKLL+U Unrecognized" R2SCAN_DRSLL_Static = "R2SCAN-DRSLL Static" R2SCAN_DRSLL_Structure_Optimization = "R2SCAN-DRSLL Structure Optimization" R2SCAN_DRSLL_Constrained_Structure_Optimization = "R2SCAN-DRSLL Constrained Structure Optimization" R2SCAN_DRSLL_Molecular_Dynamics = "R2SCAN-DRSLL Molecular Dynamics" R2SCAN_DRSLL_NSCF_Line = "R2SCAN-DRSLL NSCF Line" R2SCAN_DRSLL_NSCF_Uniform = "R2SCAN-DRSLL NSCF Uniform" R2SCAN_DRSLL_Unrecognized = "R2SCAN-DRSLL Unrecognized" R2SCAN_DRSLL_U_Static = "R2SCAN-DRSLL+U Static" R2SCAN_DRSLL_U_Structure_Optimization = "R2SCAN-DRSLL+U Structure Optimization" R2SCAN_DRSLL_U_Constrained_Structure_Optimization = "R2SCAN-DRSLL+U Constrained Structure Optimization" R2SCAN_DRSLL_U_Molecular_Dynamics = "R2SCAN-DRSLL+U Molecular Dynamics" R2SCAN_DRSLL_U_NSCF_Line = "R2SCAN-DRSLL+U NSCF Line" R2SCAN_DRSLL_U_NSCF_Uniform = "R2SCAN-DRSLL+U NSCF Uniform" R2SCAN_DRSLL_U_Unrecognized = "R2SCAN-DRSLL+U Unrecognized" R2SCAN_D3_Static = "R2SCAN-D3 Static" R2SCAN_D3_Structure_Optimization = "R2SCAN-D3 Structure Optimization" R2SCAN_D3_Constrained_Structure_Optimization = "R2SCAN-D3 Constrained Structure Optimization" R2SCAN_D3_Molecular_Dynamics = "R2SCAN-D3 Molecular Dynamics" R2SCAN_D3_NSCF_Line = "R2SCAN-D3 NSCF Line" R2SCAN_D3_NSCF_Uniform = "R2SCAN-D3 NSCF Uniform" R2SCAN_D3_Unrecognized = "R2SCAN-D3 Unrecognized" R2SCAN_D3_U_Static = "R2SCAN-D3+U Static" R2SCAN_D3_U_Structure_Optimization = "R2SCAN-D3+U Structure Optimization" R2SCAN_D3_U_Constrained_Structure_Optimization = "R2SCAN-D3+U Constrained Structure Optimization" R2SCAN_D3_U_Molecular_Dynamics = "R2SCAN-D3+U Molecular Dynamics" R2SCAN_D3_U_NSCF_Line = "R2SCAN-D3+U NSCF Line" R2SCAN_D3_U_NSCF_Uniform = "R2SCAN-D3+U NSCF Uniform" R2SCAN_D3_U_Unrecognized = "R2SCAN-D3+U Unrecognized" R2SCAN_D2_Static = "R2SCAN-D2 Static" R2SCAN_D2_Structure_Optimization = "R2SCAN-D2 Structure Optimization" R2SCAN_D2_Constrained_Structure_Optimization = "R2SCAN-D2 Constrained Structure Optimization" R2SCAN_D2_Molecular_Dynamics = "R2SCAN-D2 Molecular Dynamics" R2SCAN_D2_NSCF_Line = "R2SCAN-D2 NSCF Line" R2SCAN_D2_NSCF_Uniform = "R2SCAN-D2 NSCF Uniform" R2SCAN_D2_Unrecognized = "R2SCAN-D2 Unrecognized" R2SCAN_D2_U_Static = "R2SCAN-D2+U Static" R2SCAN_D2_U_Structure_Optimization = "R2SCAN-D2+U Structure Optimization" R2SCAN_D2_U_Constrained_Structure_Optimization = "R2SCAN-D2+U Constrained Structure Optimization" R2SCAN_D2_U_Molecular_Dynamics = "R2SCAN-D2+U Molecular Dynamics" R2SCAN_D2_U_NSCF_Line = "R2SCAN-D2+U NSCF Line" R2SCAN_D2_U_NSCF_Uniform = "R2SCAN-D2+U NSCF Uniform" R2SCAN_D2_U_Unrecognized = "R2SCAN-D2+U Unrecognized" R2SCAN_D3_BJ_Static = "R2SCAN-D3(BJ) Static" R2SCAN_D3_BJ_Structure_Optimization = "R2SCAN-D3(BJ) Structure Optimization" R2SCAN_D3_BJ_Constrained_Structure_Optimization = "R2SCAN-D3(BJ) Constrained Structure Optimization" R2SCAN_D3_BJ_Molecular_Dynamics = "R2SCAN-D3(BJ) Molecular Dynamics" R2SCAN_D3_BJ_NSCF_Line = "R2SCAN-D3(BJ) NSCF Line" R2SCAN_D3_BJ_NSCF_Uniform = "R2SCAN-D3(BJ) NSCF Uniform" R2SCAN_D3_BJ_Unrecognized = "R2SCAN-D3(BJ) Unrecognized" R2SCAN_D3_BJ_U_Static = "R2SCAN-D3(BJ)+U Static" R2SCAN_D3_BJ_U_Structure_Optimization = "R2SCAN-D3(BJ)+U Structure Optimization" R2SCAN_D3_BJ_U_Constrained_Structure_Optimization = "R2SCAN-D3(BJ)+U Constrained Structure Optimization" R2SCAN_D3_BJ_U_Molecular_Dynamics = "R2SCAN-D3(BJ)+U Molecular Dynamics" R2SCAN_D3_BJ_U_NSCF_Line = "R2SCAN-D3(BJ)+U NSCF Line" R2SCAN_D3_BJ_U_NSCF_Uniform = "R2SCAN-D3(BJ)+U NSCF Uniform" R2SCAN_D3_BJ_U_Unrecognized = "R2SCAN-D3(BJ)+U Unrecognized" METAGGA_Static = "METAGGA Static" METAGGA_Structure_Optimization = "METAGGA Structure Optimization" METAGGA_Constrained_Structure_Optimization = "METAGGA Constrained Structure Optimization" METAGGA_Molecular_Dynamics = "METAGGA Molecular Dynamics" METAGGA_NSCF_Line = "METAGGA NSCF Line" METAGGA_NSCF_Uniform = "METAGGA NSCF Uniform" METAGGA_Unrecognized = "METAGGA Unrecognized" METAGGA_U_Static = "METAGGA+U Static" METAGGA_U_Structure_Optimization = "METAGGA+U Structure Optimization" METAGGA_U_Constrained_Structure_Optimization = "METAGGA+U Constrained Structure Optimization" METAGGA_U_Molecular_Dynamics = "METAGGA+U Molecular Dynamics" METAGGA_U_NSCF_Line = "METAGGA+U NSCF Line" METAGGA_U_NSCF_Uniform = "METAGGA+U NSCF Uniform" METAGGA_U_Unrecognized = "METAGGA+U Unrecognized" METAGGA_RVV10_Static = "METAGGA-RVV10 Static" METAGGA_RVV10_Structure_Optimization = "METAGGA-RVV10 Structure Optimization" METAGGA_RVV10_Constrained_Structure_Optimization = "METAGGA-RVV10 Constrained Structure Optimization" METAGGA_RVV10_Molecular_Dynamics = "METAGGA-RVV10 Molecular Dynamics" METAGGA_RVV10_NSCF_Line = "METAGGA-RVV10 NSCF Line" METAGGA_RVV10_NSCF_Uniform = "METAGGA-RVV10 NSCF Uniform" METAGGA_RVV10_Unrecognized = "METAGGA-RVV10 Unrecognized" METAGGA_RVV10_U_Static = "METAGGA-RVV10+U Static" METAGGA_RVV10_U_Structure_Optimization = "METAGGA-RVV10+U Structure Optimization" METAGGA_RVV10_U_Constrained_Structure_Optimization = "METAGGA-RVV10+U Constrained Structure Optimization" METAGGA_RVV10_U_Molecular_Dynamics = "METAGGA-RVV10+U Molecular Dynamics" METAGGA_RVV10_U_NSCF_Line = "METAGGA-RVV10+U NSCF Line" METAGGA_RVV10_U_NSCF_Uniform = "METAGGA-RVV10+U NSCF Uniform" METAGGA_RVV10_U_Unrecognized = "METAGGA-RVV10+U Unrecognized" METAGGA_LMKLL_Static = "METAGGA-LMKLL Static" METAGGA_LMKLL_Structure_Optimization = "METAGGA-LMKLL Structure Optimization" METAGGA_LMKLL_Constrained_Structure_Optimization = "METAGGA-LMKLL Constrained Structure Optimization" METAGGA_LMKLL_Molecular_Dynamics = "METAGGA-LMKLL Molecular Dynamics" METAGGA_LMKLL_NSCF_Line = "METAGGA-LMKLL NSCF Line" METAGGA_LMKLL_NSCF_Uniform = "METAGGA-LMKLL NSCF Uniform" METAGGA_LMKLL_Unrecognized = "METAGGA-LMKLL Unrecognized" METAGGA_LMKLL_U_Static = "METAGGA-LMKLL+U Static" METAGGA_LMKLL_U_Structure_Optimization = "METAGGA-LMKLL+U Structure Optimization" METAGGA_LMKLL_U_Constrained_Structure_Optimization = "METAGGA-LMKLL+U Constrained Structure Optimization" METAGGA_LMKLL_U_Molecular_Dynamics = "METAGGA-LMKLL+U Molecular Dynamics" METAGGA_LMKLL_U_NSCF_Line = "METAGGA-LMKLL+U NSCF Line" METAGGA_LMKLL_U_NSCF_Uniform = "METAGGA-LMKLL+U NSCF Uniform" METAGGA_LMKLL_U_Unrecognized = "METAGGA-LMKLL+U Unrecognized" METAGGA_DRSLL_Static = "METAGGA-DRSLL Static" METAGGA_DRSLL_Structure_Optimization = "METAGGA-DRSLL Structure Optimization" METAGGA_DRSLL_Constrained_Structure_Optimization = "METAGGA-DRSLL Constrained Structure Optimization" METAGGA_DRSLL_Molecular_Dynamics = "METAGGA-DRSLL Molecular Dynamics" METAGGA_DRSLL_NSCF_Line = "METAGGA-DRSLL NSCF Line" METAGGA_DRSLL_NSCF_Uniform = "METAGGA-DRSLL NSCF Uniform" METAGGA_DRSLL_Unrecognized = "METAGGA-DRSLL Unrecognized" METAGGA_DRSLL_U_Static = "METAGGA-DRSLL+U Static" METAGGA_DRSLL_U_Structure_Optimization = "METAGGA-DRSLL+U Structure Optimization" METAGGA_DRSLL_U_Constrained_Structure_Optimization = "METAGGA-DRSLL+U Constrained Structure Optimization" METAGGA_DRSLL_U_Molecular_Dynamics = "METAGGA-DRSLL+U Molecular Dynamics" METAGGA_DRSLL_U_NSCF_Line = "METAGGA-DRSLL+U NSCF Line" METAGGA_DRSLL_U_NSCF_Uniform = "METAGGA-DRSLL+U NSCF Uniform" METAGGA_DRSLL_U_Unrecognized = "METAGGA-DRSLL+U Unrecognized" METAGGA_D3_Static = "METAGGA-D3 Static" METAGGA_D3_Structure_Optimization = "METAGGA-D3 Structure Optimization" METAGGA_D3_Constrained_Structure_Optimization = "METAGGA-D3 Constrained Structure Optimization" METAGGA_D3_Molecular_Dynamics = "METAGGA-D3 Molecular Dynamics" METAGGA_D3_NSCF_Line = "METAGGA-D3 NSCF Line" METAGGA_D3_NSCF_Uniform = "METAGGA-D3 NSCF Uniform" METAGGA_D3_Unrecognized = "METAGGA-D3 Unrecognized" METAGGA_D3_U_Static = "METAGGA-D3+U Static" METAGGA_D3_U_Structure_Optimization = "METAGGA-D3+U Structure Optimization" METAGGA_D3_U_Constrained_Structure_Optimization = "METAGGA-D3+U Constrained Structure Optimization" METAGGA_D3_U_Molecular_Dynamics = "METAGGA-D3+U Molecular Dynamics" METAGGA_D3_U_NSCF_Line = "METAGGA-D3+U NSCF Line" METAGGA_D3_U_NSCF_Uniform = "METAGGA-D3+U NSCF Uniform" METAGGA_D3_U_Unrecognized = "METAGGA-D3+U Unrecognized" METAGGA_D2_Static = "METAGGA-D2 Static" METAGGA_D2_Structure_Optimization = "METAGGA-D2 Structure Optimization" METAGGA_D2_Constrained_Structure_Optimization = "METAGGA-D2 Constrained Structure Optimization" METAGGA_D2_Molecular_Dynamics = "METAGGA-D2 Molecular Dynamics" METAGGA_D2_NSCF_Line = "METAGGA-D2 NSCF Line" METAGGA_D2_NSCF_Uniform = "METAGGA-D2 NSCF Uniform" METAGGA_D2_Unrecognized = "METAGGA-D2 Unrecognized" METAGGA_D2_U_Static = "METAGGA-D2+U Static" METAGGA_D2_U_Structure_Optimization = "METAGGA-D2+U Structure Optimization" METAGGA_D2_U_Constrained_Structure_Optimization = "METAGGA-D2+U Constrained Structure Optimization" METAGGA_D2_U_Molecular_Dynamics = "METAGGA-D2+U Molecular Dynamics" METAGGA_D2_U_NSCF_Line = "METAGGA-D2+U NSCF Line" METAGGA_D2_U_NSCF_Uniform = "METAGGA-D2+U NSCF Uniform" METAGGA_D2_U_Unrecognized = "METAGGA-D2+U Unrecognized" METAGGA_D3_BJ_Static = "METAGGA-D3(BJ) Static" METAGGA_D3_BJ_Structure_Optimization = "METAGGA-D3(BJ) Structure Optimization" METAGGA_D3_BJ_Constrained_Structure_Optimization = "METAGGA-D3(BJ) Constrained Structure Optimization" METAGGA_D3_BJ_Molecular_Dynamics = "METAGGA-D3(BJ) Molecular Dynamics" METAGGA_D3_BJ_NSCF_Line = "METAGGA-D3(BJ) NSCF Line" METAGGA_D3_BJ_NSCF_Uniform = "METAGGA-D3(BJ) NSCF Uniform" METAGGA_D3_BJ_Unrecognized = "METAGGA-D3(BJ) Unrecognized" METAGGA_D3_BJ_U_Static = "METAGGA-D3(BJ)+U Static" METAGGA_D3_BJ_U_Structure_Optimization = "METAGGA-D3(BJ)+U Structure Optimization" METAGGA_D3_BJ_U_Constrained_Structure_Optimization = "METAGGA-D3(BJ)+U Constrained Structure Optimization" METAGGA_D3_BJ_U_Molecular_Dynamics = "METAGGA-D3(BJ)+U Molecular Dynamics" METAGGA_D3_BJ_U_NSCF_Line = "METAGGA-D3(BJ)+U NSCF Line" METAGGA_D3_BJ_U_NSCF_Uniform = "METAGGA-D3(BJ)+U NSCF Uniform" METAGGA_D3_BJ_U_Unrecognized = "METAGGA-D3(BJ)+U Unrecognized" HYBRID_Static = "HYBRID Static" HYBRID_Structure_Optimization = "HYBRID Structure Optimization" HYBRID_Constrained_Structure_Optimization = "HYBRID Constrained Structure Optimization" HYBRID_Molecular_Dynamics = "HYBRID Molecular Dynamics" HYBRID_NSCF_Line = "HYBRID NSCF Line" HYBRID_NSCF_Uniform = "HYBRID NSCF Uniform" HYBRID_Unrecognized = "HYBRID Unrecognized" HYBRID_U_Static = "HYBRID+U Static" HYBRID_U_Structure_Optimization = "HYBRID+U Structure Optimization" HYBRID_U_Constrained_Structure_Optimization = "HYBRID+U Constrained Structure Optimization" HYBRID_U_Molecular_Dynamics = "HYBRID+U Molecular Dynamics" HYBRID_U_NSCF_Line = "HYBRID+U NSCF Line" HYBRID_U_NSCF_Uniform = "HYBRID+U NSCF Uniform" HYBRID_U_Unrecognized = "HYBRID+U Unrecognized" HYBRID_RVV10_Static = "HYBRID-RVV10 Static" HYBRID_RVV10_Structure_Optimization = "HYBRID-RVV10 Structure Optimization" HYBRID_RVV10_Constrained_Structure_Optimization = "HYBRID-RVV10 Constrained Structure Optimization" HYBRID_RVV10_Molecular_Dynamics = "HYBRID-RVV10 Molecular Dynamics" HYBRID_RVV10_NSCF_Line = "HYBRID-RVV10 NSCF Line" HYBRID_RVV10_NSCF_Uniform = "HYBRID-RVV10 NSCF Uniform" HYBRID_RVV10_Unrecognized = "HYBRID-RVV10 Unrecognized" HYBRID_RVV10_U_Static = "HYBRID-RVV10+U Static" HYBRID_RVV10_U_Structure_Optimization = "HYBRID-RVV10+U Structure Optimization" HYBRID_RVV10_U_Constrained_Structure_Optimization = "HYBRID-RVV10+U Constrained Structure Optimization" HYBRID_RVV10_U_Molecular_Dynamics = "HYBRID-RVV10+U Molecular Dynamics" HYBRID_RVV10_U_NSCF_Line = "HYBRID-RVV10+U NSCF Line" HYBRID_RVV10_U_NSCF_Uniform = "HYBRID-RVV10+U NSCF Uniform" HYBRID_RVV10_U_Unrecognized = "HYBRID-RVV10+U Unrecognized" HYBRID_LMKLL_Static = "HYBRID-LMKLL Static" HYBRID_LMKLL_Structure_Optimization = "HYBRID-LMKLL Structure Optimization" HYBRID_LMKLL_Constrained_Structure_Optimization = "HYBRID-LMKLL Constrained Structure Optimization" HYBRID_LMKLL_Molecular_Dynamics = "HYBRID-LMKLL Molecular Dynamics" HYBRID_LMKLL_NSCF_Line = "HYBRID-LMKLL NSCF Line" HYBRID_LMKLL_NSCF_Uniform = "HYBRID-LMKLL NSCF Uniform" HYBRID_LMKLL_Unrecognized = "HYBRID-LMKLL Unrecognized" HYBRID_LMKLL_U_Static = "HYBRID-LMKLL+U Static" HYBRID_LMKLL_U_Structure_Optimization = "HYBRID-LMKLL+U Structure Optimization" HYBRID_LMKLL_U_Constrained_Structure_Optimization = "HYBRID-LMKLL+U Constrained Structure Optimization" HYBRID_LMKLL_U_Molecular_Dynamics = "HYBRID-LMKLL+U Molecular Dynamics" HYBRID_LMKLL_U_NSCF_Line = "HYBRID-LMKLL+U NSCF Line" HYBRID_LMKLL_U_NSCF_Uniform = "HYBRID-LMKLL+U NSCF Uniform" HYBRID_LMKLL_U_Unrecognized = "HYBRID-LMKLL+U Unrecognized" HYBRID_DRSLL_Static = "HYBRID-DRSLL Static" HYBRID_DRSLL_Structure_Optimization = "HYBRID-DRSLL Structure Optimization" HYBRID_DRSLL_Constrained_Structure_Optimization = "HYBRID-DRSLL Constrained Structure Optimization" HYBRID_DRSLL_Molecular_Dynamics = "HYBRID-DRSLL Molecular Dynamics" HYBRID_DRSLL_NSCF_Line = "HYBRID-DRSLL NSCF Line" HYBRID_DRSLL_NSCF_Uniform = "HYBRID-DRSLL NSCF Uniform" HYBRID_DRSLL_Unrecognized = "HYBRID-DRSLL Unrecognized" HYBRID_DRSLL_U_Static = "HYBRID-DRSLL+U Static" HYBRID_DRSLL_U_Structure_Optimization = "HYBRID-DRSLL+U Structure Optimization" HYBRID_DRSLL_U_Constrained_Structure_Optimization = "HYBRID-DRSLL+U Constrained Structure Optimization" HYBRID_DRSLL_U_Molecular_Dynamics = "HYBRID-DRSLL+U Molecular Dynamics" HYBRID_DRSLL_U_NSCF_Line = "HYBRID-DRSLL+U NSCF Line" HYBRID_DRSLL_U_NSCF_Uniform = "HYBRID-DRSLL+U NSCF Uniform" HYBRID_DRSLL_U_Unrecognized = "HYBRID-DRSLL+U Unrecognized" HYBRID_D3_Static = "HYBRID-D3 Static" HYBRID_D3_Structure_Optimization = "HYBRID-D3 Structure Optimization" HYBRID_D3_Constrained_Structure_Optimization = "HYBRID-D3 Constrained Structure Optimization" HYBRID_D3_Molecular_Dynamics = "HYBRID-D3 Molecular Dynamics" HYBRID_D3_NSCF_Line = "HYBRID-D3 NSCF Line" HYBRID_D3_NSCF_Uniform = "HYBRID-D3 NSCF Uniform" HYBRID_D3_Unrecognized = "HYBRID-D3 Unrecognized" HYBRID_D3_U_Static = "HYBRID-D3+U Static" HYBRID_D3_U_Structure_Optimization = "HYBRID-D3+U Structure Optimization" HYBRID_D3_U_Constrained_Structure_Optimization = "HYBRID-D3+U Constrained Structure Optimization" HYBRID_D3_U_Molecular_Dynamics = "HYBRID-D3+U Molecular Dynamics" HYBRID_D3_U_NSCF_Line = "HYBRID-D3+U NSCF Line" HYBRID_D3_U_NSCF_Uniform = "HYBRID-D3+U NSCF Uniform" HYBRID_D3_U_Unrecognized = "HYBRID-D3+U Unrecognized" HYBRID_D2_Static = "HYBRID-D2 Static" HYBRID_D2_Structure_Optimization = "HYBRID-D2 Structure Optimization" HYBRID_D2_Constrained_Structure_Optimization = "HYBRID-D2 Constrained Structure Optimization" HYBRID_D2_Molecular_Dynamics = "HYBRID-D2 Molecular Dynamics" HYBRID_D2_NSCF_Line = "HYBRID-D2 NSCF Line" HYBRID_D2_NSCF_Uniform = "HYBRID-D2 NSCF Uniform" HYBRID_D2_Unrecognized = "HYBRID-D2 Unrecognized" HYBRID_D2_U_Static = "HYBRID-D2+U Static" HYBRID_D2_U_Structure_Optimization = "HYBRID-D2+U Structure Optimization" HYBRID_D2_U_Constrained_Structure_Optimization = "HYBRID-D2+U Constrained Structure Optimization" HYBRID_D2_U_Molecular_Dynamics = "HYBRID-D2+U Molecular Dynamics" HYBRID_D2_U_NSCF_Line = "HYBRID-D2+U NSCF Line" HYBRID_D2_U_NSCF_Uniform = "HYBRID-D2+U NSCF Uniform" HYBRID_D2_U_Unrecognized = "HYBRID-D2+U Unrecognized" HYBRID_D3_BJ_Static = "HYBRID-D3(BJ) Static" HYBRID_D3_BJ_Structure_Optimization = "HYBRID-D3(BJ) Structure Optimization" HYBRID_D3_BJ_Constrained_Structure_Optimization = "HYBRID-D3(BJ) Constrained Structure Optimization" HYBRID_D3_BJ_Molecular_Dynamics = "HYBRID-D3(BJ) Molecular Dynamics" HYBRID_D3_BJ_NSCF_Line = "HYBRID-D3(BJ) NSCF Line" HYBRID_D3_BJ_NSCF_Uniform = "HYBRID-D3(BJ) NSCF Uniform" HYBRID_D3_BJ_Unrecognized = "HYBRID-D3(BJ) Unrecognized" HYBRID_D3_BJ_U_Static = "HYBRID-D3(BJ)+U Static" HYBRID_D3_BJ_U_Structure_Optimization = "HYBRID-D3(BJ)+U Structure Optimization" HYBRID_D3_BJ_U_Constrained_Structure_Optimization = "HYBRID-D3(BJ)+U Constrained Structure Optimization" HYBRID_D3_BJ_U_Molecular_Dynamics = "HYBRID-D3(BJ)+U Molecular Dynamics" HYBRID_D3_BJ_U_NSCF_Line = "HYBRID-D3(BJ)+U NSCF Line" HYBRID_D3_BJ_U_NSCF_Uniform = "HYBRID-D3(BJ)+U NSCF Uniform" HYBRID_D3_BJ_U_Unrecognized = "HYBRID-D3(BJ)+U Unrecognized" HSE06_Static = "HSE06 Static" HSE06_Structure_Optimization = "HSE06 Structure Optimization" HSE06_Constrained_Structure_Optimization = "HSE06 Constrained Structure Optimization" HSE06_Molecular_Dynamics = "HSE06 Molecular Dynamics" HSE06_NSCF_Line = "HSE06 NSCF Line" HSE06_NSCF_Uniform = "HSE06 NSCF Uniform" HSE06_Unrecognized = "HSE06 Unrecognized" HSE06_U_Static = "HSE06+U Static" HSE06_U_Structure_Optimization = "HSE06+U Structure Optimization" HSE06_U_Constrained_Structure_Optimization = "HSE06+U Constrained Structure Optimization" HSE06_U_Molecular_Dynamics = "HSE06+U Molecular Dynamics" HSE06_U_NSCF_Line = "HSE06+U NSCF Line" HSE06_U_NSCF_Uniform = "HSE06+U NSCF Uniform" HSE06_U_Unrecognized = "HSE06+U Unrecognized" HSE06_RVV10_Static = "HSE06-RVV10 Static" HSE06_RVV10_Structure_Optimization = "HSE06-RVV10 Structure Optimization" HSE06_RVV10_Constrained_Structure_Optimization = "HSE06-RVV10 Constrained Structure Optimization" HSE06_RVV10_Molecular_Dynamics = "HSE06-RVV10 Molecular Dynamics" HSE06_RVV10_NSCF_Line = "HSE06-RVV10 NSCF Line" HSE06_RVV10_NSCF_Uniform = "HSE06-RVV10 NSCF Uniform" HSE06_RVV10_Unrecognized = "HSE06-RVV10 Unrecognized" HSE06_RVV10_U_Static = "HSE06-RVV10+U Static" HSE06_RVV10_U_Structure_Optimization = "HSE06-RVV10+U Structure Optimization" HSE06_RVV10_U_Constrained_Structure_Optimization = "HSE06-RVV10+U Constrained Structure Optimization" HSE06_RVV10_U_Molecular_Dynamics = "HSE06-RVV10+U Molecular Dynamics" HSE06_RVV10_U_NSCF_Line = "HSE06-RVV10+U NSCF Line" HSE06_RVV10_U_NSCF_Uniform = "HSE06-RVV10+U NSCF Uniform" HSE06_RVV10_U_Unrecognized = "HSE06-RVV10+U Unrecognized" HSE06_LMKLL_Static = "HSE06-LMKLL Static" HSE06_LMKLL_Structure_Optimization = "HSE06-LMKLL Structure Optimization" HSE06_LMKLL_Constrained_Structure_Optimization = "HSE06-LMKLL Constrained Structure Optimization" HSE06_LMKLL_Molecular_Dynamics = "HSE06-LMKLL Molecular Dynamics" HSE06_LMKLL_NSCF_Line = "HSE06-LMKLL NSCF Line" HSE06_LMKLL_NSCF_Uniform = "HSE06-LMKLL NSCF Uniform" HSE06_LMKLL_Unrecognized = "HSE06-LMKLL Unrecognized" HSE06_LMKLL_U_Static = "HSE06-LMKLL+U Static" HSE06_LMKLL_U_Structure_Optimization = "HSE06-LMKLL+U Structure Optimization" HSE06_LMKLL_U_Constrained_Structure_Optimization = "HSE06-LMKLL+U Constrained Structure Optimization" HSE06_LMKLL_U_Molecular_Dynamics = "HSE06-LMKLL+U Molecular Dynamics" HSE06_LMKLL_U_NSCF_Line = "HSE06-LMKLL+U NSCF Line" HSE06_LMKLL_U_NSCF_Uniform = "HSE06-LMKLL+U NSCF Uniform" HSE06_LMKLL_U_Unrecognized = "HSE06-LMKLL+U Unrecognized" HSE06_DRSLL_Static = "HSE06-DRSLL Static" HSE06_DRSLL_Structure_Optimization = "HSE06-DRSLL Structure Optimization" HSE06_DRSLL_Constrained_Structure_Optimization = "HSE06-DRSLL Constrained Structure Optimization" HSE06_DRSLL_Molecular_Dynamics = "HSE06-DRSLL Molecular Dynamics" HSE06_DRSLL_NSCF_Line = "HSE06-DRSLL NSCF Line" HSE06_DRSLL_NSCF_Uniform = "HSE06-DRSLL NSCF Uniform" HSE06_DRSLL_Unrecognized = "HSE06-DRSLL Unrecognized" HSE06_DRSLL_U_Static = "HSE06-DRSLL+U Static" HSE06_DRSLL_U_Structure_Optimization = "HSE06-DRSLL+U Structure Optimization" HSE06_DRSLL_U_Constrained_Structure_Optimization = "HSE06-DRSLL+U Constrained Structure Optimization" HSE06_DRSLL_U_Molecular_Dynamics = "HSE06-DRSLL+U Molecular Dynamics" HSE06_DRSLL_U_NSCF_Line = "HSE06-DRSLL+U NSCF Line" HSE06_DRSLL_U_NSCF_Uniform = "HSE06-DRSLL+U NSCF Uniform" HSE06_DRSLL_U_Unrecognized = "HSE06-DRSLL+U Unrecognized" HSE06_D3_Static = "HSE06-D3 Static" HSE06_D3_Structure_Optimization = "HSE06-D3 Structure Optimization" HSE06_D3_Constrained_Structure_Optimization = "HSE06-D3 Constrained Structure Optimization" HSE06_D3_Molecular_Dynamics = "HSE06-D3 Molecular Dynamics" HSE06_D3_NSCF_Line = "HSE06-D3 NSCF Line" HSE06_D3_NSCF_Uniform = "HSE06-D3 NSCF Uniform" HSE06_D3_Unrecognized = "HSE06-D3 Unrecognized" HSE06_D3_U_Static = "HSE06-D3+U Static" HSE06_D3_U_Structure_Optimization = "HSE06-D3+U Structure Optimization" HSE06_D3_U_Constrained_Structure_Optimization = "HSE06-D3+U Constrained Structure Optimization" HSE06_D3_U_Molecular_Dynamics = "HSE06-D3+U Molecular Dynamics" HSE06_D3_U_NSCF_Line = "HSE06-D3+U NSCF Line" HSE06_D3_U_NSCF_Uniform = "HSE06-D3+U NSCF Uniform" HSE06_D3_U_Unrecognized = "HSE06-D3+U Unrecognized" HSE06_D2_Static = "HSE06-D2 Static" HSE06_D2_Structure_Optimization = "HSE06-D2 Structure Optimization" HSE06_D2_Constrained_Structure_Optimization = "HSE06-D2 Constrained Structure Optimization" HSE06_D2_Molecular_Dynamics = "HSE06-D2 Molecular Dynamics" HSE06_D2_NSCF_Line = "HSE06-D2 NSCF Line" HSE06_D2_NSCF_Uniform = "HSE06-D2 NSCF Uniform" HSE06_D2_Unrecognized = "HSE06-D2 Unrecognized" HSE06_D2_U_Static = "HSE06-D2+U Static" HSE06_D2_U_Structure_Optimization = "HSE06-D2+U Structure Optimization" HSE06_D2_U_Constrained_Structure_Optimization = "HSE06-D2+U Constrained Structure Optimization" HSE06_D2_U_Molecular_Dynamics = "HSE06-D2+U Molecular Dynamics" HSE06_D2_U_NSCF_Line = "HSE06-D2+U NSCF Line" HSE06_D2_U_NSCF_Uniform = "HSE06-D2+U NSCF Uniform" HSE06_D2_U_Unrecognized = "HSE06-D2+U Unrecognized" HSE06_D3_BJ_Static = "HSE06-D3(BJ) Static" HSE06_D3_BJ_Structure_Optimization = "HSE06-D3(BJ) Structure Optimization" HSE06_D3_BJ_Constrained_Structure_Optimization = "HSE06-D3(BJ) Constrained Structure Optimization" HSE06_D3_BJ_Molecular_Dynamics = "HSE06-D3(BJ) Molecular Dynamics" HSE06_D3_BJ_NSCF_Line = "HSE06-D3(BJ) NSCF Line" HSE06_D3_BJ_NSCF_Uniform = "HSE06-D3(BJ) NSCF Uniform" HSE06_D3_BJ_Unrecognized = "HSE06-D3(BJ) Unrecognized" HSE06_D3_BJ_U_Static = "HSE06-D3(BJ)+U Static" HSE06_D3_BJ_U_Structure_Optimization = "HSE06-D3(BJ)+U Structure Optimization" HSE06_D3_BJ_U_Constrained_Structure_Optimization = "HSE06-D3(BJ)+U Constrained Structure Optimization" HSE06_D3_BJ_U_Molecular_Dynamics = "HSE06-D3(BJ)+U Molecular Dynamics" HSE06_D3_BJ_U_NSCF_Line = "HSE06-D3(BJ)+U NSCF Line" HSE06_D3_BJ_U_NSCF_Uniform = "HSE06-D3(BJ)+U NSCF Uniform" HSE06_D3_BJ_U_Unrecognized = "HSE06-D3(BJ)+U Unrecognized" PBE0_Static = "PBE0 Static" PBE0_Structure_Optimization = "PBE0 Structure Optimization" PBE0_Constrained_Structure_Optimization = "PBE0 Constrained Structure Optimization" PBE0_Molecular_Dynamics = "PBE0 Molecular Dynamics" PBE0_NSCF_Line = "PBE0 NSCF Line" PBE0_NSCF_Uniform = "PBE0 NSCF Uniform" PBE0_Unrecognized = "PBE0 Unrecognized" PBE0_U_Static = "PBE0+U Static" PBE0_U_Structure_Optimization = "PBE0+U Structure Optimization" PBE0_U_Constrained_Structure_Optimization = "PBE0+U Constrained Structure Optimization" PBE0_U_Molecular_Dynamics = "PBE0+U Molecular Dynamics" PBE0_U_NSCF_Line = "PBE0+U NSCF Line" PBE0_U_NSCF_Uniform = "PBE0+U NSCF Uniform" PBE0_U_Unrecognized = "PBE0+U Unrecognized" PBE0_RVV10_Static = "PBE0-RVV10 Static" PBE0_RVV10_Structure_Optimization = "PBE0-RVV10 Structure Optimization" PBE0_RVV10_Constrained_Structure_Optimization = "PBE0-RVV10 Constrained Structure Optimization" PBE0_RVV10_Molecular_Dynamics = "PBE0-RVV10 Molecular Dynamics" PBE0_RVV10_NSCF_Line = "PBE0-RVV10 NSCF Line" PBE0_RVV10_NSCF_Uniform = "PBE0-RVV10 NSCF Uniform" PBE0_RVV10_Unrecognized = "PBE0-RVV10 Unrecognized" PBE0_RVV10_U_Static = "PBE0-RVV10+U Static" PBE0_RVV10_U_Structure_Optimization = "PBE0-RVV10+U Structure Optimization" PBE0_RVV10_U_Constrained_Structure_Optimization = "PBE0-RVV10+U Constrained Structure Optimization" PBE0_RVV10_U_Molecular_Dynamics = "PBE0-RVV10+U Molecular Dynamics" PBE0_RVV10_U_NSCF_Line = "PBE0-RVV10+U NSCF Line" PBE0_RVV10_U_NSCF_Uniform = "PBE0-RVV10+U NSCF Uniform" PBE0_RVV10_U_Unrecognized = "PBE0-RVV10+U Unrecognized" PBE0_LMKLL_Static = "PBE0-LMKLL Static" PBE0_LMKLL_Structure_Optimization = "PBE0-LMKLL Structure Optimization" PBE0_LMKLL_Constrained_Structure_Optimization = "PBE0-LMKLL Constrained Structure Optimization" PBE0_LMKLL_Molecular_Dynamics = "PBE0-LMKLL Molecular Dynamics" PBE0_LMKLL_NSCF_Line = "PBE0-LMKLL NSCF Line" PBE0_LMKLL_NSCF_Uniform = "PBE0-LMKLL NSCF Uniform" PBE0_LMKLL_Unrecognized = "PBE0-LMKLL Unrecognized" PBE0_LMKLL_U_Static = "PBE0-LMKLL+U Static" PBE0_LMKLL_U_Structure_Optimization = "PBE0-LMKLL+U Structure Optimization" PBE0_LMKLL_U_Constrained_Structure_Optimization = "PBE0-LMKLL+U Constrained Structure Optimization" PBE0_LMKLL_U_Molecular_Dynamics = "PBE0-LMKLL+U Molecular Dynamics" PBE0_LMKLL_U_NSCF_Line = "PBE0-LMKLL+U NSCF Line" PBE0_LMKLL_U_NSCF_Uniform = "PBE0-LMKLL+U NSCF Uniform" PBE0_LMKLL_U_Unrecognized = "PBE0-LMKLL+U Unrecognized" PBE0_DRSLL_Static = "PBE0-DRSLL Static" PBE0_DRSLL_Structure_Optimization = "PBE0-DRSLL Structure Optimization" PBE0_DRSLL_Constrained_Structure_Optimization = "PBE0-DRSLL Constrained Structure Optimization" PBE0_DRSLL_Molecular_Dynamics = "PBE0-DRSLL Molecular Dynamics" PBE0_DRSLL_NSCF_Line = "PBE0-DRSLL NSCF Line" PBE0_DRSLL_NSCF_Uniform = "PBE0-DRSLL NSCF Uniform" PBE0_DRSLL_Unrecognized = "PBE0-DRSLL Unrecognized" PBE0_DRSLL_U_Static = "PBE0-DRSLL+U Static" PBE0_DRSLL_U_Structure_Optimization = "PBE0-DRSLL+U Structure Optimization" PBE0_DRSLL_U_Constrained_Structure_Optimization = "PBE0-DRSLL+U Constrained Structure Optimization" PBE0_DRSLL_U_Molecular_Dynamics = "PBE0-DRSLL+U Molecular Dynamics" PBE0_DRSLL_U_NSCF_Line = "PBE0-DRSLL+U NSCF Line" PBE0_DRSLL_U_NSCF_Uniform = "PBE0-DRSLL+U NSCF Uniform" PBE0_DRSLL_U_Unrecognized = "PBE0-DRSLL+U Unrecognized" PBE0_D3_Static = "PBE0-D3 Static" PBE0_D3_Structure_Optimization = "PBE0-D3 Structure Optimization" PBE0_D3_Constrained_Structure_Optimization = "PBE0-D3 Constrained Structure Optimization" PBE0_D3_Molecular_Dynamics = "PBE0-D3 Molecular Dynamics" PBE0_D3_NSCF_Line = "PBE0-D3 NSCF Line" PBE0_D3_NSCF_Uniform = "PBE0-D3 NSCF Uniform" PBE0_D3_Unrecognized = "PBE0-D3 Unrecognized" PBE0_D3_U_Static = "PBE0-D3+U Static" PBE0_D3_U_Structure_Optimization = "PBE0-D3+U Structure Optimization" PBE0_D3_U_Constrained_Structure_Optimization = "PBE0-D3+U Constrained Structure Optimization" PBE0_D3_U_Molecular_Dynamics = "PBE0-D3+U Molecular Dynamics" PBE0_D3_U_NSCF_Line = "PBE0-D3+U NSCF Line" PBE0_D3_U_NSCF_Uniform = "PBE0-D3+U NSCF Uniform" PBE0_D3_U_Unrecognized = "PBE0-D3+U Unrecognized" PBE0_D2_Static = "PBE0-D2 Static" PBE0_D2_Structure_Optimization = "PBE0-D2 Structure Optimization" PBE0_D2_Constrained_Structure_Optimization = "PBE0-D2 Constrained Structure Optimization" PBE0_D2_Molecular_Dynamics = "PBE0-D2 Molecular Dynamics" PBE0_D2_NSCF_Line = "PBE0-D2 NSCF Line" PBE0_D2_NSCF_Uniform = "PBE0-D2 NSCF Uniform" PBE0_D2_Unrecognized = "PBE0-D2 Unrecognized" PBE0_D2_U_Static = "PBE0-D2+U Static" PBE0_D2_U_Structure_Optimization = "PBE0-D2+U Structure Optimization" PBE0_D2_U_Constrained_Structure_Optimization = "PBE0-D2+U Constrained Structure Optimization" PBE0_D2_U_Molecular_Dynamics = "PBE0-D2+U Molecular Dynamics" PBE0_D2_U_NSCF_Line = "PBE0-D2+U NSCF Line" PBE0_D2_U_NSCF_Uniform = "PBE0-D2+U NSCF Uniform" PBE0_D2_U_Unrecognized = "PBE0-D2+U Unrecognized" PBE0_D3_BJ_Static = "PBE0-D3(BJ) Static" PBE0_D3_BJ_Structure_Optimization = "PBE0-D3(BJ) Structure Optimization" PBE0_D3_BJ_Constrained_Structure_Optimization = "PBE0-D3(BJ) Constrained Structure Optimization" PBE0_D3_BJ_Molecular_Dynamics = "PBE0-D3(BJ) Molecular Dynamics" PBE0_D3_BJ_NSCF_Line = "PBE0-D3(BJ) NSCF Line" PBE0_D3_BJ_NSCF_Uniform = "PBE0-D3(BJ) NSCF Uniform" PBE0_D3_BJ_Unrecognized = "PBE0-D3(BJ) Unrecognized" PBE0_D3_BJ_U_Static = "PBE0-D3(BJ)+U Static" PBE0_D3_BJ_U_Structure_Optimization = "PBE0-D3(BJ)+U Structure Optimization" PBE0_D3_BJ_U_Constrained_Structure_Optimization = "PBE0-D3(BJ)+U Constrained Structure Optimization" PBE0_D3_BJ_U_Molecular_Dynamics = "PBE0-D3(BJ)+U Molecular Dynamics" PBE0_D3_BJ_U_NSCF_Line = "PBE0-D3(BJ)+U NSCF Line" PBE0_D3_BJ_U_NSCF_Uniform = "PBE0-D3(BJ)+U NSCF Uniform" PBE0_D3_BJ_U_Unrecognized = "PBE0-D3(BJ)+U Unrecognized" RSH_Static = "RSH Static" RSH_Structure_Optimization = "RSH Structure Optimization" RSH_Constrained_Structure_Optimization = "RSH Constrained Structure Optimization" RSH_Molecular_Dynamics = "RSH Molecular Dynamics" RSH_NSCF_Line = "RSH NSCF Line" RSH_NSCF_Uniform = "RSH NSCF Uniform" RSH_Unrecognized = "RSH Unrecognized" RSH_U_Static = "RSH+U Static" RSH_U_Structure_Optimization = "RSH+U Structure Optimization" RSH_U_Constrained_Structure_Optimization = "RSH+U Constrained Structure Optimization" RSH_U_Molecular_Dynamics = "RSH+U Molecular Dynamics" RSH_U_NSCF_Line = "RSH+U NSCF Line" RSH_U_NSCF_Uniform = "RSH+U NSCF Uniform" RSH_U_Unrecognized = "RSH+U Unrecognized" RSH_RVV10_Static = "RSH-RVV10 Static" RSH_RVV10_Structure_Optimization = "RSH-RVV10 Structure Optimization" RSH_RVV10_Constrained_Structure_Optimization = "RSH-RVV10 Constrained Structure Optimization" RSH_RVV10_Molecular_Dynamics = "RSH-RVV10 Molecular Dynamics" RSH_RVV10_NSCF_Line = "RSH-RVV10 NSCF Line" RSH_RVV10_NSCF_Uniform = "RSH-RVV10 NSCF Uniform" RSH_RVV10_Unrecognized = "RSH-RVV10 Unrecognized" RSH_RVV10_U_Static = "RSH-RVV10+U Static" RSH_RVV10_U_Structure_Optimization = "RSH-RVV10+U Structure Optimization" RSH_RVV10_U_Constrained_Structure_Optimization = "RSH-RVV10+U Constrained Structure Optimization" RSH_RVV10_U_Molecular_Dynamics = "RSH-RVV10+U Molecular Dynamics" RSH_RVV10_U_NSCF_Line = "RSH-RVV10+U NSCF Line" RSH_RVV10_U_NSCF_Uniform = "RSH-RVV10+U NSCF Uniform" RSH_RVV10_U_Unrecognized = "RSH-RVV10+U Unrecognized" RSH_LMKLL_Static = "RSH-LMKLL Static" RSH_LMKLL_Structure_Optimization = "RSH-LMKLL Structure Optimization" RSH_LMKLL_Constrained_Structure_Optimization = "RSH-LMKLL Constrained Structure Optimization" RSH_LMKLL_Molecular_Dynamics = "RSH-LMKLL Molecular Dynamics" RSH_LMKLL_NSCF_Line = "RSH-LMKLL NSCF Line" RSH_LMKLL_NSCF_Uniform = "RSH-LMKLL NSCF Uniform" RSH_LMKLL_Unrecognized = "RSH-LMKLL Unrecognized" RSH_LMKLL_U_Static = "RSH-LMKLL+U Static" RSH_LMKLL_U_Structure_Optimization = "RSH-LMKLL+U Structure Optimization" RSH_LMKLL_U_Constrained_Structure_Optimization = "RSH-LMKLL+U Constrained Structure Optimization" RSH_LMKLL_U_Molecular_Dynamics = "RSH-LMKLL+U Molecular Dynamics" RSH_LMKLL_U_NSCF_Line = "RSH-LMKLL+U NSCF Line" RSH_LMKLL_U_NSCF_Uniform = "RSH-LMKLL+U NSCF Uniform" RSH_LMKLL_U_Unrecognized = "RSH-LMKLL+U Unrecognized" RSH_DRSLL_Static = "RSH-DRSLL Static" RSH_DRSLL_Structure_Optimization = "RSH-DRSLL Structure Optimization" RSH_DRSLL_Constrained_Structure_Optimization = "RSH-DRSLL Constrained Structure Optimization" RSH_DRSLL_Molecular_Dynamics = "RSH-DRSLL Molecular Dynamics" RSH_DRSLL_NSCF_Line = "RSH-DRSLL NSCF Line" RSH_DRSLL_NSCF_Uniform = "RSH-DRSLL NSCF Uniform" RSH_DRSLL_Unrecognized = "RSH-DRSLL Unrecognized" RSH_DRSLL_U_Static = "RSH-DRSLL+U Static" RSH_DRSLL_U_Structure_Optimization = "RSH-DRSLL+U Structure Optimization" RSH_DRSLL_U_Constrained_Structure_Optimization = "RSH-DRSLL+U Constrained Structure Optimization" RSH_DRSLL_U_Molecular_Dynamics = "RSH-DRSLL+U Molecular Dynamics" RSH_DRSLL_U_NSCF_Line = "RSH-DRSLL+U NSCF Line" RSH_DRSLL_U_NSCF_Uniform = "RSH-DRSLL+U NSCF Uniform" RSH_DRSLL_U_Unrecognized = "RSH-DRSLL+U Unrecognized" RSH_D3_Static = "RSH-D3 Static" RSH_D3_Structure_Optimization = "RSH-D3 Structure Optimization" RSH_D3_Constrained_Structure_Optimization = "RSH-D3 Constrained Structure Optimization" RSH_D3_Molecular_Dynamics = "RSH-D3 Molecular Dynamics" RSH_D3_NSCF_Line = "RSH-D3 NSCF Line" RSH_D3_NSCF_Uniform = "RSH-D3 NSCF Uniform" RSH_D3_Unrecognized = "RSH-D3 Unrecognized" RSH_D3_U_Static = "RSH-D3+U Static" RSH_D3_U_Structure_Optimization = "RSH-D3+U Structure Optimization" RSH_D3_U_Constrained_Structure_Optimization = "RSH-D3+U Constrained Structure Optimization" RSH_D3_U_Molecular_Dynamics = "RSH-D3+U Molecular Dynamics" RSH_D3_U_NSCF_Line = "RSH-D3+U NSCF Line" RSH_D3_U_NSCF_Uniform = "RSH-D3+U NSCF Uniform" RSH_D3_U_Unrecognized = "RSH-D3+U Unrecognized" RSH_D2_Static = "RSH-D2 Static" RSH_D2_Structure_Optimization = "RSH-D2 Structure Optimization" RSH_D2_Constrained_Structure_Optimization = "RSH-D2 Constrained Structure Optimization" RSH_D2_Molecular_Dynamics = "RSH-D2 Molecular Dynamics" RSH_D2_NSCF_Line = "RSH-D2 NSCF Line" RSH_D2_NSCF_Uniform = "RSH-D2 NSCF Uniform" RSH_D2_Unrecognized = "RSH-D2 Unrecognized" RSH_D2_U_Static = "RSH-D2+U Static" RSH_D2_U_Structure_Optimization = "RSH-D2+U Structure Optimization" RSH_D2_U_Constrained_Structure_Optimization = "RSH-D2+U Constrained Structure Optimization" RSH_D2_U_Molecular_Dynamics = "RSH-D2+U Molecular Dynamics" RSH_D2_U_NSCF_Line = "RSH-D2+U NSCF Line" RSH_D2_U_NSCF_Uniform = "RSH-D2+U NSCF Uniform" RSH_D2_U_Unrecognized = "RSH-D2+U Unrecognized" RSH_D3_BJ_Static = "RSH-D3(BJ) Static" RSH_D3_BJ_Structure_Optimization = "RSH-D3(BJ) Structure Optimization" RSH_D3_BJ_Constrained_Structure_Optimization = "RSH-D3(BJ) Constrained Structure Optimization" RSH_D3_BJ_Molecular_Dynamics = "RSH-D3(BJ) Molecular Dynamics" RSH_D3_BJ_NSCF_Line = "RSH-D3(BJ) NSCF Line" RSH_D3_BJ_NSCF_Uniform = "RSH-D3(BJ) NSCF Uniform" RSH_D3_BJ_Unrecognized = "RSH-D3(BJ) Unrecognized" RSH_D3_BJ_U_Static = "RSH-D3(BJ)+U Static" RSH_D3_BJ_U_Structure_Optimization = "RSH-D3(BJ)+U Structure Optimization" RSH_D3_BJ_U_Constrained_Structure_Optimization = "RSH-D3(BJ)+U Constrained Structure Optimization" RSH_D3_BJ_U_Molecular_Dynamics = "RSH-D3(BJ)+U Molecular Dynamics" RSH_D3_BJ_U_NSCF_Line = "RSH-D3(BJ)+U NSCF Line" RSH_D3_BJ_U_NSCF_Uniform = "RSH-D3(BJ)+U NSCF Uniform" RSH_D3_BJ_U_Unrecognized = "RSH-D3(BJ)+U Unrecognized"