POTCAR O

Directory: Applications
Plat: LINUX
Size: 48KB
Downloads: 1
Upload time: 2018-03-09 16:15:18
Uploader: 汤锅
Description:   POTCAR of oxygen The projector augmented wave (PAW) potentials was employed and the energy cutoff of 400 eV was used. The generalized gradient approximation (GGA) with the Perdew-Burke-Ernzerhof (PBE) function was adopted for the exchange-correlation potentials

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POTCAR O, 141537 , 2018-03-02

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