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Obtaining pseudopotentials †

One needs pseudopotentials for the Q-E calculations. Here is a list of useful sites where pseudopotentials can be found.

• SG15 ONCV and Pseudo Dojo (normconserving)
• GBRV pseudopotentials (ultrasoft)
• Quantum-ESPRESSO pseudopotential page
  (pslibrary is recommended and indeed accurate, but large cutoff energy is necessary in many cases)
• SSSP
• OPIUM (normconserving)
• APE (normconserving)
• NNIN/C Pseudopotential Virtual Vault

Download the pseudopotentials and put in the $(HOME)/QE/pseudo directory.

To obtain whole GBRV pseudopotentials, go to the pseudopotential directory, say, ~/QE/pseudo, and execute the following

$ wget https://www.physics.rutgers.edu/gbrv/all_pbe_UPF_v1.5.tar.gz

In the case of SG15:
(latest one)

$ wget http://www.quantum-simulation.org/potentials/sg15_oncv/sg15_oncv_upf_2020-02-06.tar.gz

(original one)

$ wget http://www.quantum-simulation.org/potentials/sg15_oncv/sg15_oncv_upf_2015-10-07.tar.gz