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Thumbnail for DFT: Automatic optimization of atomic coordinates of Cl2 and unit cell of graphite, elastic constant of diamond (Tutorial 3.1)

DFT: Automatic optimization of atomic coordinates…

duration 25 minutes 29 seconds

DFT: Automatic optimization of atomic coordinates…

DFT: Automatic optimization of atomic coordinates of Cl2 and unit cell of graphite, elastic constant of diamond (Tutorial 3.1)

DFT: Automatic optimization of atomic coordinates of Cl2 and unit cell of graphite, elastic constant of diamond (Tutorial 3.1)

2018 PARADIM SUMMER SCHOOL Lab 4

state functions
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From  James Overhiser 133 plays