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- Applications
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- File Size:
- 48kb
- Update:
- 2018-03-09
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- 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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| Filename | Size | Date |
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| POTCAR O | 141537 | 2018-03-02 |
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