JARVIS Family

Ac Ag Al Ar As Au B Ba Be Bi Br C Ca Cd Ce Cl Co Cr Cs Cu Dy Er Eu F Fe Ga Gd Ge H He Hf Hg Ho I In Ir K Kr La Li Lu Mg Mn Mo N Na Nb Nd Ne Ni Np O Os P Pa Pb Pd Pm Pr Pt Pu Rb Re Rh Ru S Sb Sc Se Si Sm Sn Sr Ta Tb Tc Te Th Ti Tl Tm U V W Xe Y Yb Zn Zr

Energy (17 datasets) Atomization Energy (1 datasets) Adsorption Energy (8 datasets) Formation Energy (11 datasets) Atomic Forces (3 datasets) Electronic Band Gap (13 datasets) Cauchy Stress (3 datasets)

DFT-B3LYP DFT-HSE06 DFT-PBE DFT-PBE+D3 DFT-PBE+D3(BJ) DFT-PBEsol DFT-TBmBJ DFT-optB88-vdW DFT-rPBE DFT-rPW86 DFT-undefined IP-ALIGNN-FF

GPAW Gaussian 09 Quantum ESPRESSO VASP VASP 5.4.1 VASP 5.4.4