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11.19 pb.s001.ml04.so(Surface Noncollinear Magnetism:表面ノンコリニア磁性)
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11 Sample Calculation
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11.17 fept.bct(Crystalline Noncollinear Magnetism:結晶ノンコリニア磁性)
11.18 pb.s001.ml04(Surface Nonmagnetism:表面非磁性)
It is a calculation of the electronic state and the band dispersison in (001) plane of face-centered cubic lattice(fcc). Four atomic layers are calculated.
面心立方格子(fcc)の(001)面の電子状態計算とバンド分散の計算。4原子層の計算。
Property(性質)
crystal structure
fcc (001) surface
IBRAV=6
space group
lattice constant
a.u.
xc potentail
CA-PZ(LSDA)
energy cut-offs
30 Ry, 300 Ry
k point sampling
Monkhost & Pack
,
NKPT=??
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11.19 pb.s001.ml04.so(Surface Noncollinear Magnetism:表面ノンコリニア磁性)
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11 Sample Calculation
Previous:
11.17 fept.bct(Crystalline Noncollinear Magnetism:結晶ノンコリニア磁性)
Copyright (C), Tatsuki Oda (oda@cphys.s.kanazawa-u.ac.jp, Kanazawa University)