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guolianshun

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License checkout of MS_castep successful


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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lbambool

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ellsaking(½ð±Ò+1):лл»Ø´ð~ 2011-01-05 13:53:33
cenwanglai(½ð±Ò+1):лл»Ø¸´£¬ºÇºÇ¡£ 2011-01-05 13:54:34
guolianshun(½ð±Ò+2): 2011-01-05 15:08:04
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guolianshun

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guolianshun

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Originally posted by lbambool at 2011-01-05 13:51:09:
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guolianshun(½ð±Ò+2): 2011-04-11 09:01:10
zzy870720z(½ð±Ò+1): лл½»Á÷ 2011-04-11 10:55:29
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