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Pseudo atomic calculation performed for O 2s2 2p4

Converged in 25 iterations to a total energy of -429.5309 eV
Pseudo atomic calculation performed for Ti 3s2 3p6 3d2 4s2

Converged in 34 iterations to a total energy of -1596.1593 eV Calculation parallelised over    1 nodes.
K-points are distributed over    1 groups, each containing    1 nodes.
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guolianshun

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guolianshun

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