H

 Abinit UPF(Quantum Espresso) Profess/CASTEP

NOTE: We use the Quantum-Espresso naming convention.

H.pz-locmodreg_rc0.25-qtp.recpot
Pseudopotential type: local model regularized in reciprocal space
Method: Eq. (44) PRB 86, 115101 (2012)
Functional type: Perdew-Zunger (PZ) LDA exch-corr used implicitly
Generated by: atom-recip-ver2.2 (not published)


H.pz-locmodreg_rc0.50-qtp.recpot
Pseudopotential type: local model regularized in reciprocal space
Method: Eq. (44) PRB 86, 115101 (2012)
Functional type: Perdew-Zunger (PZ) LDA exch-corr used implicitly
Generated by: atom-recip-ver2.2 (not published)




KGEC

PROFESS@Quantum-Espresso

APE code modified for OFDFT

LSDA Exchange-Correlation Free Energy Subroutines

Fermi-Dirac Integral Combination Fits

Pseudopotentials & PAWs

DFT Codes