第一原理分子動力学プログラム STATE Senri Wiki
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*Obtaining pseudopotentials [#p096e953]
One needs pseudopotentials for the Q-E calculations. Here...
- [[SG15 ONCV>http://www.quantum-simulation.org/potential...
- [[GBRV pseudopotentials>https://www.physics.rutgers.edu...
- [[Quantum-ESPRESSO pseudopotential page>https://www.qua...
([[pslibrary>https://dalcorso.github.io/pslibrary/]] is r...
- [[SSSP>https://www.materialscloud.org/discover/sssp/tab...
- [[OPIUM>http://opium.sourceforge.net/]] (normconserving)
- [[APE>https://www.tddft.org/programs/APE/]] (normconser...
- [[NNIN/C Pseudopotential Virtual Vault>http://nninc.cnf...
Download the pseudopotentials and put in the $(HOME)/QE/p...
To obtain whole GBRV pseudopotentials, go to the pseudopo...
$ wget https://www.physics.rutgers.edu/gbrv/all_pbe_UPF_...
In the case of SG15:~
(latest one)
$ wget http://www.quantum-simulation.org/potentials/sg15...
(original one)
$ wget http://www.quantum-simulation.org/potentials/sg15...
終了行:
*Obtaining pseudopotentials [#p096e953]
One needs pseudopotentials for the Q-E calculations. Here...
- [[SG15 ONCV>http://www.quantum-simulation.org/potential...
- [[GBRV pseudopotentials>https://www.physics.rutgers.edu...
- [[Quantum-ESPRESSO pseudopotential page>https://www.qua...
([[pslibrary>https://dalcorso.github.io/pslibrary/]] is r...
- [[SSSP>https://www.materialscloud.org/discover/sssp/tab...
- [[OPIUM>http://opium.sourceforge.net/]] (normconserving)
- [[APE>https://www.tddft.org/programs/APE/]] (normconser...
- [[NNIN/C Pseudopotential Virtual Vault>http://nninc.cnf...
Download the pseudopotentials and put in the $(HOME)/QE/p...
To obtain whole GBRV pseudopotentials, go to the pseudopo...
$ wget https://www.physics.rutgers.edu/gbrv/all_pbe_UPF_...
In the case of SG15:~
(latest one)
$ wget http://www.quantum-simulation.org/potentials/sg15...
(original one)
$ wget http://www.quantum-simulation.org/potentials/sg15...
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