11.17 fept.bct(Crystalline Noncollinear Magnetism：結晶ノンコリニア磁性)

It is an electronic state calculation of $L1_{0}$ type ordered alloy FePt. The spin orbit interaction is considered in this calculation and the magnetic moment is free. If you want to estimate the magnetic anisotropy energy, more than $22\times22\times22$ k-points sampling are required.

$L1_{0}$型規則合金FePtの電子状態計算。スピン軌道相互作用を考慮。磁気 モーメントはフリー。磁気異方性エネルギーを見積もるには、 $22\times22\times22$ 程度以上のk点サンプリングが必要。

Property（性質）
crystal structure	base centered tetragonal lattic IBRAV=6
space group
lattice constant	$a=5.16$ a.u. $c/a=1.3857$
xc potentail	CA-PZ(LSDA)
energy cut-offs	40 Ry, 300 Ry
k point sampling	Monkhost & Pack $6\times6\times6$, NKPT=216