next up previous contents index
Next: 12 Update Summary of Up: 11 Sample Calculation Previous: 11.27 o2.cluster(Cluster Magnetism：クラスタ磁性)


11.28 fe5.cluster(Cluster Noncollinear Magnetism：クラスタノンコリニア磁性)

It is a test calculation of magnetic clusters.

磁性クラスタのチェック計算。


Property（性質）  
bond length $b1=4.26, b2=4.43$ a.u.
xc potentail CA-PZ(LSDA)
energy cut-offs 24 Ry, 250 Ry
k point sampling $\Gamma$ point

next up previous contents index
Next: 12 Update Summary of Up: 11 Sample Calculation Previous: 11.27 o2.cluster(Cluster Magnetism：クラスタ磁性)
Copyright (C), Tatsuki Oda (oda@cphys.s.kanazawa-u.ac.jp, Kanazawa University)