This version was compiled for win32 on Nov 14 2008
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.
这是MS castep优化某结构给出的结果，这上面的两个能量分别是什么啊？
它们之和是不是本结构最低能量啊。
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+1/84
