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Next: 11.27 o2.cluster(Cluster Magnetism：クラスタ磁性) Up: 11 Sample Calculation Previous: 11.25 c.nt.0707(One-Dimensional Nonmagnetism：１次元系非磁性)

11.26 n2.cluster.esm(Cluster Nonmagnetism：クラスタ非磁性)

It is a test calculatoin of the applied electric field in clusters.

クラスタの電場印加のチェック計算。


Property（性質）  
bond length $b=2.07$ a.u.
xc potentail PW91
energy cut-offs 25 Ry, 150 Ry
k point sampling $\Gamma$ point

next up previous contents index
Next: 11.27 o2.cluster(Cluster Magnetism：クラスタ磁性) Up: 11 Sample Calculation Previous: 11.25 c.nt.0707(One-Dimensional Nonmagnetism：１次元系非磁性)
Copyright (C), Tatsuki Oda (oda@cphys.s.kanazawa-u.ac.jp, Kanazawa University)