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*Obtaining pseudopotentials [#p096e953]
One needs pseudopotentials for the Q-E calculations. Here is a list of useful sites where pseudopotentials can be found.
- [[SG15 ONCV>http://www.quantum-simulation.org/potentials/sg15_oncv/]] and [[Pseudo Dojo>http://www.pseudo-dojo.org/]] (normconserving)
- [[GBRV pseudopotentials>https://www.physics.rutgers.edu/gbrv/]] (ultrasoft)
- [[Quantum-ESPRESSO pseudopotential page>https://www.quantum-espresso.org/pseudopotentials]]~
([[pslibrary>https://dalcorso.github.io/pslibrary/]] is recommended and indeed accurate, but large cutoff energy is necessary in many cases)
- [[SSSP>https://www.materialscloud.org/discover/sssp/table/efficiency]]
- [[OPIUM>http://opium.sourceforge.net/]] (normconserving)
- [[APE>https://www.tddft.org/programs/APE/]] (normconserving)
- [[NNIN/C Pseudopotential Virtual Vault>http://nninc.cnf.cornell.edu/]]

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