Pseudopotential File |
Test files |
Hg.pbe-d-hgh.UPF
Pseudopotential type: NORMCONS Method: Goedecker-Hartwigsen-Hutter-Teter Functional type: Perdew-Burke-Ernzerhof (PBE) exch-corr Semi-core state in valence scalar relativistic Origin: Hartwigsen-Goedeker-Hutter PP Author: Goedecker/Hartwigsen/Hutter/Teter Generated in analytical, separable form, converted from CPMD format using cpmd2upf v.5.0.2 Uploaded by qewpadmin Classification unverified | |
Hg.pz-d-hgh.UPF
Pseudopotential type: NORMCONS Method: Goedecker-Hartwigsen-Hutter-Teter Functional type: Perdew-Zunger (LDA) exch-corr Semi-core state in valence non relativistic Origin: Hartwigsen-Goedeker-Hutter PP Author: Goedecker/Hartwigsen/Hutter/Teter Generated in analytical, separable form. Converted from CPMD format using cpmd2upf v.5.0.1. Uploaded by marsamos Classification unverified | |
Hg.pz-hgh.UPF
Pseudopotential type: NORMCONS Method: Goedecker-Hartwigsen-Hutter-Teter Functional type: Perdew-Zunger (LDA) exch-corr non relativistic Origin: Hartwigsen-Goedeker-Hutter PP Author: Goedecker/Hartwigsen/Hutter/Teter Generated in analytical, separable form. Converted from CPMD format using cpmd2upf v.5.0.1. Uploaded by marsamos Classification unverified |